#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s77 s ASP 13 N 0.00 7.30 0.62 4.04 3.68 -1.26 -4.90 116.67 126.15 1s77 s ASP 13 Ca 0.00 1.76 0.28 0.00 2.13 0.00 0.00 52.55 56.72 1s77 s ASP 13 Cb 0.00 -2.57 1.47 0.00 -1.45 0.00 0.00 42.92 40.36 1s77 s ASP 13 CO 0.00 -0.30 1.86 -0.29 0.13 0.00 0.00 175.17 176.57 1s77 h ILE 14 N 4.67 0.23 0.21 4.11 2.10 -2.03 0.86 117.51 127.66 1s77 h ILE 14 Ca -0.41 0.00 -0.34 0.00 1.08 0.00 0.00 64.86 65.19 1s77 h ILE 14 Cb 1.22 0.60 0.02 0.00 -1.09 0.00 0.00 36.82 37.57 1s77 h ILE 14 CO 0.76 0.00 -1.60 -0.08 -1.08 0.00 0.00 178.15 176.16 1s77 h GLU 15 N 0.00 0.45 0.00 2.19 4.57 -2.05 -3.28 114.58 116.46 1s77 h GLU 15 Ca 0.15 -0.77 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 1s77 h GLU 15 Cb 1.08 0.29 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 1s77 h GLU 15 CO -0.00 1.37 0.00 1.28 -1.18 0.00 0.00 179.01 180.48 1s77 n LEU 16 N -3.68 0.00 -3.47 1.64 4.32 0.30 -3.38 117.00 112.72 1s77 n LEU 16 Ca -0.21 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.38 1s77 n LEU 16 Cb 1.07 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.86 1s77 n LEU 16 CO 0.55 0.00 2.82 0.00 -1.22 0.00 0.00 177.39 179.54 1s77 n ALA 17 N -0.99 6.88 -2.90 -1.18 0.00 -1.12 -4.71 120.51 116.48 1s77 n ALA 17 Ca 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.59 1s77 n ALA 17 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.32 1s77 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s77 n ALA 18 N 3.16 0.00 -2.36 0.00 0.00 -1.22 -5.03 120.51 115.06 1s77 n ALA 18 Ca 0.66 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.68 1s77 n ALA 18 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 1s77 n ALA 18 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1s77 s ILE 19 N 4.03 3.85 0.03 0.00 2.07 -1.26 -4.94 121.20 124.98 1s77 s ILE 19 Ca 0.00 0.82 -0.06 0.00 -1.41 0.00 0.00 60.65 60.00 1s77 s ILE 19 Cb 0.00 -4.28 -0.01 0.00 0.13 0.00 0.00 42.46 38.29 1s77 s ILE 19 CO 0.00 -0.90 0.68 -2.65 -1.91 0.00 0.00 174.94 170.15 1s77 n PRO 20 N 8.30 -0.09 -0.28 3.50 -0.02 -1.26 -1.73 135.00 143.42 1s77 n PRO 20 Ca 0.15 0.67 0.09 0.00 -2.02 0.00 0.00 63.50 62.39 1s77 n PRO 20 Cb 0.49 -0.99 0.24 0.00 -0.02 0.00 0.00 33.50 33.21 1s77 n PRO 20 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1s77 h PHE 21 N 0.00 0.42 -0.09 6.00 3.57 -1.92 0.29 116.94 125.21 1s77 h PHE 21 Ca 0.03 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1s77 h PHE 21 Cb 0.08 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1s77 h PHE 21 CO -0.55 -0.09 0.04 -0.91 -2.23 0.00 0.00 178.31 174.58 1s77 h ASN 22 N 0.31 0.11 -0.31 0.41 -0.26 -1.75 -1.88 115.58 112.21 1s77 h ASN 22 Ca 0.49 -0.11 -0.04 0.00 -0.56 0.00 0.00 56.30 56.08 1s77 h ASN 22 Cb 0.88 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 38.10 1s77 h ASN 22 CO -0.54 0.19 0.05 0.74 -1.06 0.00 0.00 177.43 176.81 1s77 h THR 23 N 0.03 1.24 0.73 2.81 2.02 -1.15 -1.23 112.91 117.35 1s77 h THR 23 Ca 0.03 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1s77 h THR 23 Cb 0.11 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1s77 h THR 23 CO -0.00 0.27 -0.41 -0.07 0.37 0.00 0.00 175.52 175.68 1s77 h LEU 24 N 0.34 -1.00 -0.65 2.58 3.38 -0.93 -1.71 115.31 117.33 1s77 h LEU 24 Ca 0.09 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1s77 h LEU 24 Cb 0.35 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1s77 h LEU 24 CO 0.01 -0.65 0.34 0.00 0.09 0.00 0.00 178.44 178.23 1s77 h ALA 25 N -0.84 0.87 -0.98 1.53 0.00 -1.40 1.81 119.26 120.26 1s77 h ALA 25 Ca -0.10 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.00 1s77 h ALA 25 Cb 0.83 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 1s77 h ALA 25 CO 0.13 -0.01 0.61 0.22 0.00 0.00 0.00 179.25 180.20 1s77 h ASP 26 N 0.62 0.79 0.23 0.00 -0.00 -1.06 0.76 116.42 117.76 1s77 h ASP 26 Ca 0.30 0.07 -0.34 0.00 -0.00 0.00 0.00 57.03 57.05 1s77 h ASP 26 Cb 0.24 -0.09 -0.04 0.00 -0.00 0.00 0.00 39.33 39.44 1s77 h ASP 26 CO -0.21 0.36 -1.99 1.41 -0.00 0.00 0.00 179.24 178.81 1s77 n HIS 27 N -4.66 0.89 -0.28 0.28 8.25 0.13 -4.64 115.22 115.18 1s77 n HIS 27 Ca 0.21 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1s77 n HIS 27 Cb 0.48 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 30.46 1s77 n HIS 27 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1s77 n TYR 28 N -3.22 0.00 0.00 4.41 4.01 0.59 -5.09 117.16 117.86 1s77 n TYR 28 Ca -0.28 -0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.12 1s77 n TYR 28 Cb 1.05 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 1s77 n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s77 n GLY 29 N -0.33 -1.49 0.47 2.72 0.00 0.26 -4.40 105.19 102.41 1s77 n GLY 29 Ca 0.00 -1.24 0.29 0.00 0.00 0.00 0.00 46.02 45.07 1s77 n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s77 h GLU 30 N 0.00 0.10 0.88 1.61 4.81 -1.89 -1.74 114.58 118.34 1s77 h GLU 30 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1s77 h GLU 30 Cb 0.00 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.37 1s77 h GLU 30 CO 0.00 0.07 -0.42 -0.09 -0.73 0.00 0.00 179.01 177.83 1s77 h ARG 31 N 0.10 -1.13 -0.63 1.92 2.43 -1.95 -1.79 114.38 113.33 1s77 h ARG 31 Ca 0.51 0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.72 1s77 h ARG 31 Cb 1.84 0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 31.62 1s77 h ARG 31 CO -0.07 -0.75 0.27 -0.07 -1.51 0.00 0.00 179.97 177.83 1s77 h LEU 32 N -1.21 0.86 -0.79 3.80 3.38 -1.70 -1.37 115.31 118.26 1s77 h LEU 32 Ca -0.12 -0.16 0.19 0.00 0.09 0.00 0.00 57.88 57.88 1s77 h LEU 32 Cb 0.90 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 1s77 h LEU 32 CO 0.20 0.78 0.07 0.00 0.09 0.00 0.00 178.44 179.57 1s77 h ALA 33 N 1.11 0.92 -0.33 1.53 0.00 -1.29 0.45 119.26 121.65 1s77 h ALA 33 Ca 0.21 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 1s77 h ALA 33 Cb 0.18 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1s77 h ALA 33 CO -0.02 -0.43 0.03 0.00 0.00 0.00 0.00 179.25 178.83 1s77 h ARG 34 N 0.13 0.56 -0.42 0.00 3.08 -0.66 -2.70 114.38 114.37 1s77 h ARG 34 Ca 0.45 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.37 1s77 h ARG 34 Cb 0.83 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 1s77 h ARG 34 CO -0.67 0.66 0.22 1.49 -1.07 0.00 0.00 179.97 180.60 1s77 h GLU 35 N 0.38 0.43 0.00 0.04 4.81 0.56 0.34 114.58 121.14 1s77 h GLU 35 Ca 0.10 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1s77 h GLU 35 Cb 0.39 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1s77 h GLU 35 CO 0.01 0.29 0.00 1.04 -0.73 0.00 0.00 179.01 179.62 1s77 n GLN 36 N -4.89 0.00 -0.27 1.92 1.13 0.12 0.11 117.38 115.50 1s77 n GLN 36 Ca 0.02 0.67 0.09 0.00 -1.94 0.00 0.00 57.00 55.83 1s77 n GLN 36 Cb 0.09 -1.49 0.23 0.00 0.11 0.00 0.00 30.24 29.18 1s77 n GLN 36 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1s77 h LEU 37 N 0.00 0.05 -0.65 1.08 3.38 -1.41 0.93 115.31 118.70 1s77 h LEU 37 Ca 0.00 0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.20 1s77 h LEU 37 Cb 0.00 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1s77 h LEU 37 CO 0.00 -0.06 0.34 0.00 0.09 0.00 0.00 178.44 178.81 1s77 h ALA 38 N 1.67 0.86 -0.24 1.53 0.00 -0.05 0.16 119.26 123.20 1s77 h ALA 38 Ca 0.47 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 1s77 h ALA 38 Cb 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1s77 h ALA 38 CO -0.55 -0.00 0.02 1.25 0.00 0.00 0.00 179.25 179.96 1s77 h LEU 39 N 0.63 0.39 -0.57 0.00 5.85 0.47 0.22 115.31 122.30 1s77 h LEU 39 Ca 0.30 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1s77 h LEU 39 Cb 0.22 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1s77 h LEU 39 CO -0.20 0.58 0.34 -0.33 -0.34 0.00 0.00 178.44 178.49 1s77 h GLU 40 N 0.20 0.79 -0.71 1.25 5.08 0.42 -1.72 114.58 119.89 1s77 h GLU 40 Ca 0.07 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1s77 h GLU 40 Cb 0.36 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1s77 h GLU 40 CO 0.01 0.58 0.27 1.25 -1.00 0.00 0.00 179.01 180.11 1s77 h HIS 41 N 0.77 1.07 -0.91 4.33 2.76 -0.48 -2.12 115.15 120.58 1s77 h HIS 41 Ca 0.21 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1s77 h HIS 41 Cb -0.00 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.59 1s77 h HIS 41 CO -0.02 0.83 0.55 1.49 -1.30 0.00 0.00 177.93 179.48 1s77 h GLU 42 N 1.03 1.23 -0.99 5.26 4.81 0.19 -1.17 114.58 124.94 1s77 h GLU 42 Ca 0.24 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 1s77 h GLU 42 Cb 0.22 -0.26 -0.07 0.00 0.63 0.00 0.00 28.75 29.27 1s77 h GLU 42 CO -0.02 0.86 0.64 0.77 -0.73 0.00 0.00 179.01 180.53 1s77 h SER 43 N 1.25 1.01 0.13 1.04 0.02 -0.65 0.71 113.55 117.06 1s77 h SER 43 Ca 0.33 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1s77 h SER 43 Cb -0.06 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.28 1s77 h SER 43 CO -0.06 0.63 -0.06 0.22 -1.14 0.00 0.00 176.83 176.42 1s77 h TYR 44 N 1.13 -0.16 0.17 3.45 3.20 -1.17 -0.55 116.97 123.03 1s77 h TYR 44 Ca 0.43 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.31 1s77 h TYR 44 Cb 0.20 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1s77 h TYR 44 CO -0.00 0.15 -0.46 1.49 -1.64 0.00 0.00 178.16 177.69 1s77 h GLU 45 N -0.48 -0.70 -0.80 1.82 4.81 -0.31 0.11 114.58 119.03 1s77 h GLU 45 Ca -0.02 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.38 1s77 h GLU 45 Cb 0.38 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 29.84 1s77 h GLU 45 CO 0.03 -0.47 0.41 0.52 -0.73 0.00 0.00 179.01 178.77 1s77 h MET 46 N -0.73 0.63 -0.29 1.92 2.86 0.42 0.01 114.93 119.74 1s77 h MET 46 Ca 0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1s77 h MET 46 Cb 0.73 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1s77 h MET 46 CO -0.23 0.42 0.17 0.78 1.06 0.00 0.00 176.91 179.10 1s77 h GLY 47 N 0.65 0.42 1.05 8.32 0.00 -0.53 -1.11 103.07 111.87 1s77 h GLY 47 Ca 0.41 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.58 1s77 h GLY 47 CO -0.31 0.17 0.61 -2.09 0.00 0.00 0.00 176.54 174.92 1s77 h GLU 48 N 0.37 1.17 0.93 4.80 4.81 0.34 -1.63 114.58 125.36 1s77 h GLU 48 Ca 0.10 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1s77 h GLU 48 Cb 0.02 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.14 1s77 h GLU 48 CO -0.02 0.78 -0.45 0.00 -0.73 0.00 0.00 179.01 178.59 1s77 h ALA 49 N 1.44 -1.27 -1.31 2.92 0.00 -0.62 -0.94 119.26 119.49 1s77 h ALA 49 Ca 0.35 -0.27 0.38 0.00 0.00 0.00 0.00 54.91 55.37 1s77 h ALA 49 Cb -0.08 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1s77 h ALA 49 CO -0.09 -1.18 0.90 0.07 0.00 0.00 0.00 179.25 178.96 1s77 h ARG 50 N -1.31 0.11 0.40 0.00 -0.00 -0.82 0.28 114.38 113.04 1s77 h ARG 50 Ca -0.13 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.98 59.83 1s77 h ARG 50 Cb 0.95 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.90 1s77 h ARG 50 CO 0.21 0.07 -0.19 0.35 -0.00 0.00 0.00 179.97 180.41 1s77 h PHE 51 N 0.11 -0.50 -0.34 4.08 3.57 -0.94 -3.12 116.94 119.79 1s77 h PHE 51 Ca 0.69 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.22 1s77 h PHE 51 Cb 2.40 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 41.25 1s77 h PHE 51 CO -0.00 -0.31 -0.38 0.00 -2.23 0.00 0.00 178.31 175.39 1s77 h ARG 52 N -1.13 -0.21 -0.94 1.11 2.47 0.85 0.66 114.38 117.19 1s77 h ARG 52 Ca -0.06 0.01 0.18 0.00 -1.26 0.00 0.00 59.98 58.86 1s77 h ARG 52 Cb 0.41 0.05 -0.17 0.00 -1.65 0.00 0.00 29.97 28.61 1s77 h ARG 52 CO 0.09 -0.14 -0.26 1.17 0.56 0.00 0.00 179.97 181.39 1s77 n LYS 53 N -4.49 -0.11 0.39 0.04 0.00 -0.05 0.65 118.16 114.59 1s77 n LYS 53 Ca -0.02 1.47 -0.16 0.00 0.00 0.00 0.00 58.31 59.60 1s77 n LYS 53 Cb 0.22 -2.19 -0.07 0.00 0.00 0.00 0.00 35.03 32.99 1s77 n LYS 53 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1s77 h MET 54 N 0.00 -0.99 -0.58 1.64 4.05 -0.85 0.03 114.93 118.23 1s77 h MET 54 Ca 0.43 0.07 0.17 0.00 -0.28 0.00 0.00 59.70 60.09 1s77 h MET 54 Cb 0.67 0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.67 1s77 h MET 54 CO -0.96 -0.66 0.62 0.35 0.23 0.00 0.00 176.91 176.49 1s77 h PHE 55 N -1.25 0.00 0.00 1.39 3.04 0.22 0.32 116.94 120.65 1s77 h PHE 55 Ca -0.10 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.84 1s77 h PHE 55 Cb 0.78 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.29 1s77 h PHE 55 CO 0.00 0.00 -0.04 0.93 -2.02 0.00 0.00 178.31 177.18 1s77 h GLU 56 N 0.00 0.00 0.00 1.11 5.08 0.47 -3.12 114.58 118.12 1s77 h GLU 56 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1s77 h GLU 56 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1s77 h GLU 56 CO -0.00 0.35 0.22 0.07 -1.00 0.00 0.00 179.01 178.65 1s77 h ARG 57 N -1.00 0.00 0.03 2.33 -0.00 0.57 0.72 114.38 117.03 1s77 h ARG 57 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1s77 h ARG 57 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.35 1s77 h ARG 57 CO -0.00 0.00 -0.01 1.96 -0.00 0.00 0.00 179.97 181.91 1s77 h GLN 58 N 0.00 -0.04 0.00 0.08 1.08 -0.47 -3.24 115.11 112.53 1s77 h GLN 58 Ca 0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 1s77 h GLN 58 Cb 0.44 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1s77 h GLN 58 CO 0.00 0.59 -0.84 1.37 -0.95 0.00 0.00 178.83 179.00 1s77 h LEU 59 N -0.72 0.00 -0.30 1.46 8.10 -1.04 -1.75 115.31 121.07 1s77 h LEU 59 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1s77 h LEU 59 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.87 1s77 h LEU 59 CO 0.01 0.69 0.00 0.29 -4.11 0.00 0.00 178.44 175.31 1s77 n LYS 60 N -3.20 0.58 -2.38 0.17 5.02 0.23 -1.55 118.16 117.04 1s77 n LYS 60 Ca -0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.26 1s77 n LYS 60 Cb 0.83 -1.09 0.07 0.00 -0.02 0.00 0.00 35.03 34.83 1s77 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s77 n ALA 61 N -0.29 2.93 -2.59 7.82 0.00 -1.17 -4.97 120.51 122.24 1s77 n ALA 61 Ca 0.00 -1.43 -0.19 0.00 0.00 0.00 0.00 53.44 51.81 1s77 n ALA 61 Cb 0.04 -0.75 0.02 0.00 0.00 0.00 0.00 19.45 18.76 1s77 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s77 n GLY 62 N -0.98 0.10 1.40 0.00 0.00 -0.59 -4.91 105.19 100.20 1s77 n GLY 62 Ca -0.12 0.57 -0.03 0.00 0.00 0.00 0.00 46.02 46.43 1s77 n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1s77 n GLU 63 N 0.20 0.35 0.11 1.61 1.02 -0.67 -4.87 120.64 118.40 1s77 n GLU 63 Ca -0.04 -0.71 -0.13 0.00 -0.02 0.00 0.00 57.16 56.25 1s77 n GLU 63 Cb 0.43 0.41 -0.08 0.00 -0.02 0.00 0.00 31.44 32.18 1s77 n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1s77 h VAL 64 N 3.02 0.88 -1.79 2.62 2.07 -1.88 -2.92 116.25 118.25 1s77 h VAL 64 Ca -0.34 -0.23 0.55 0.00 0.82 0.00 0.00 66.70 67.49 1s77 h VAL 64 Cb 1.14 1.02 -0.10 0.00 -1.52 0.00 0.00 31.29 31.83 1s77 h VAL 64 CO -0.16 0.05 1.25 0.00 0.02 0.00 0.00 177.57 178.73 1s77 n ALA 65 N -2.25 1.73 -0.04 1.67 0.00 -1.26 0.17 120.51 120.53 1s77 n ALA 65 Ca -0.09 0.74 -0.13 0.00 0.00 0.00 0.00 53.44 53.96 1s77 n ALA 65 Cb 0.16 -1.12 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 1s77 n ALA 65 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1s77 h ASP 66 N 0.00 0.22 -2.53 0.00 3.32 -1.91 -3.39 116.42 112.14 1s77 h ASP 66 Ca 0.93 -0.45 -0.60 0.00 0.02 0.00 0.00 57.03 56.92 1s77 h ASP 66 Cb 3.49 -0.06 0.10 0.00 0.22 0.00 0.00 39.33 43.08 1s77 h ASP 66 CO -0.17 0.62 0.29 -3.20 -1.72 0.00 0.00 179.24 175.06 1s77 n ASN 67 N -4.70 1.75 -0.31 6.45 2.85 0.13 -4.79 115.26 116.63 1s77 n ASN 67 Ca -0.07 1.17 0.10 0.00 -0.11 0.00 0.00 54.58 55.67 1s77 n ASN 67 Cb 0.29 -1.33 0.22 0.00 1.24 0.00 0.00 39.78 40.20 1s77 n ASN 67 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s77 h ALA 68 N 2.68 0.94 -1.22 5.20 0.00 -1.88 -1.19 119.26 123.79 1s77 h ALA 68 Ca -0.42 0.31 0.37 0.00 0.00 0.00 0.00 54.91 55.17 1s77 h ALA 68 Cb 1.32 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 19.56 1s77 h ALA 68 CO 0.65 -0.48 0.80 0.00 0.00 0.00 0.00 179.25 180.21 1s77 h ALA 69 N 1.88 2.60 0.00 0.00 0.00 -1.88 0.04 119.26 121.90 1s77 h ALA 69 Ca 0.51 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1s77 h ALA 69 Cb 0.95 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1s77 h ALA 69 CO -0.84 -1.12 -1.16 0.00 0.00 0.00 0.00 179.25 176.13 1s77 n ALA 70 N -2.53 3.62 -0.17 0.00 0.00 -0.46 -4.45 120.51 116.52 1s77 n ALA 70 Ca 0.32 -0.47 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 1s77 n ALA 70 Cb 1.22 -0.89 0.06 0.00 0.00 0.00 0.00 19.45 19.84 1s77 n ALA 70 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1s77 h LYS 71 N 0.00 0.41 0.00 0.00 3.11 -0.87 0.24 116.57 119.46 1s77 h LYS 71 Ca 0.00 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.80 1s77 h LYS 71 Cb 0.71 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.85 1s77 h LYS 71 CO 0.00 0.27 -0.09 -1.00 -2.81 0.00 0.00 179.45 175.82 1s77 h PRO 72 N 0.42 0.00 0.08 1.90 0.13 -1.78 -1.43 132.00 131.32 1s77 h PRO 72 Ca 0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1s77 h PRO 72 Cb 0.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.34 1s77 h PRO 72 CO -0.21 0.09 -0.04 1.25 -0.23 0.00 0.00 178.00 178.86 1s77 h LEU 73 N 0.00 -0.09 -0.56 1.56 5.85 -1.50 -3.16 115.31 117.41 1s77 h LEU 73 Ca -0.00 -0.38 0.09 0.00 0.84 0.00 0.00 57.88 58.43 1s77 h LEU 73 Cb 0.34 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.29 1s77 h LEU 73 CO 0.01 0.56 -0.41 0.40 -0.34 0.00 0.00 178.44 178.66 1s77 h ILE 74 N -0.97 0.11 -0.10 4.05 2.04 -0.74 0.27 117.51 122.18 1s77 h ILE 74 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1s77 h ILE 74 Cb 0.46 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1s77 h ILE 74 CO 0.02 0.00 0.12 0.71 0.00 0.00 0.00 178.15 179.00 1s77 h THR 75 N -0.23 0.47 0.00 -0.27 1.35 -1.40 1.10 112.91 113.93 1s77 h THR 75 Ca 0.19 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.97 1s77 h THR 75 Cb 0.56 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1s77 h THR 75 CO -0.67 0.00 -0.37 0.74 -0.25 0.00 0.00 175.52 174.97 1s77 h THR 76 N 0.00 0.66 0.00 6.82 2.02 -0.44 -3.39 112.91 118.57 1s77 h THR 76 Ca 0.05 -1.83 -0.20 0.00 0.77 0.00 0.00 66.41 65.20 1s77 h THR 76 Cb 0.29 2.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 1s77 h THR 76 CO -0.00 0.36 -1.72 0.18 0.37 0.00 0.00 175.52 174.71 1s77 n LEU 77 N -3.23 2.03 -0.22 2.58 4.77 -0.05 -4.59 117.00 118.29 1s77 n LEU 77 Ca 0.02 0.04 0.05 0.00 -0.03 0.00 0.00 56.01 56.09 1s77 n LEU 77 Cb 0.65 -0.41 0.11 0.00 -2.33 0.00 0.00 43.42 41.44 1s77 n LEU 77 CO 0.38 0.51 0.43 -0.11 -1.33 0.00 0.00 177.39 177.27 1s77 n LEU 78 N -3.20 -0.18 -0.16 2.23 7.94 0.36 0.84 117.00 124.83 1s77 n LEU 78 Ca -0.24 1.05 -0.09 0.00 -1.11 0.00 0.00 56.01 55.62 1s77 n LEU 78 Cb 0.71 -0.33 -0.00 0.00 0.53 0.00 0.00 43.42 44.33 1s77 n LEU 78 CO 0.07 -1.02 0.85 -0.65 -1.11 0.00 0.00 177.39 175.53 1s77 h PRO 79 N 0.00 0.77 0.00 1.96 0.11 -1.79 -3.02 132.00 130.03 1s77 h PRO 79 Ca 0.31 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1s77 h PRO 79 Cb 0.53 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1s77 h PRO 79 CO -0.62 0.79 0.12 1.63 -0.21 0.00 0.00 178.00 179.70 1s77 n LYS 80 N -4.45 0.10 -0.06 1.05 5.02 0.25 -2.29 118.16 117.79 1s77 n LYS 80 Ca 0.00 0.58 -0.12 0.00 -2.02 0.00 0.00 58.31 56.75 1s77 n LYS 80 Cb 0.25 -1.95 -0.06 0.00 -0.02 0.00 0.00 35.03 33.25 1s77 n LYS 80 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1s77 h MET 81 N 0.00 0.33 -0.79 1.97 2.86 -1.42 -2.81 114.93 115.07 1s77 h MET 81 Ca 0.00 -0.14 0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1s77 h MET 81 Cb 0.23 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 1s77 h MET 81 CO 0.00 0.63 0.52 0.97 1.06 0.00 0.00 176.91 180.09 1s77 h ILE 82 N 0.01 1.06 0.00 -1.22 2.10 -1.66 2.21 117.51 120.01 1s77 h ILE 82 Ca 0.04 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.68 1s77 h ILE 82 Cb 0.53 0.10 0.00 0.00 -1.09 0.00 0.00 36.82 36.37 1s77 h ILE 82 CO 0.02 0.16 0.00 0.00 -1.08 0.00 0.00 178.15 177.25 1s77 n ALA 83 N -2.43 1.47 0.08 0.18 0.00 -1.06 -1.70 120.51 117.05 1s77 n ALA 83 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1s77 n ALA 83 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1s77 n ALA 83 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1s77 n ARG 84 N 0.41 0.00 0.11 0.00 3.00 0.23 -4.71 116.66 115.70 1s77 n ARG 84 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 1s77 n ARG 84 Cb 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.45 1s77 n ARG 84 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1s77 h ILE 85 N 0.00 0.00 -0.17 5.15 2.04 0.37 0.98 117.51 125.88 1s77 h ILE 85 Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.65 1s77 h ILE 85 Cb 0.00 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.09 1s77 h ILE 85 CO 0.00 0.00 -0.74 0.78 0.00 0.00 0.00 178.15 178.19 1s77 h ASN 86 N -0.67 0.90 0.01 1.72 4.21 -1.51 -2.11 115.58 118.13 1s77 h ASN 86 Ca -0.01 -0.57 0.00 0.00 1.21 0.00 0.00 56.30 56.93 1s77 h ASN 86 Cb 0.67 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 1s77 h ASN 86 CO -0.24 1.36 0.00 -0.67 -1.29 0.00 0.00 177.43 176.59 1s77 n ASP 87 N -3.93 0.27 -0.09 5.81 2.03 -0.97 -1.30 116.55 118.37 1s77 n ASP 87 Ca -0.07 0.63 -0.16 0.00 0.52 0.00 0.00 54.79 55.71 1s77 n ASP 87 Cb 0.72 -0.66 -0.08 0.00 -0.72 0.00 0.00 41.12 40.38 1s77 n ASP 87 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1s77 n TRP 88 N -1.87 0.93 0.13 -0.67 -0.00 0.34 -4.13 117.44 112.16 1s77 n TRP 88 Ca -0.01 0.40 -0.15 0.00 -0.00 0.00 0.00 57.50 57.75 1s77 n TRP 88 Cb 0.02 -0.97 -0.07 0.00 -0.00 0.00 0.00 31.31 30.28 1s77 n TRP 88 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 1s77 h PHE 89 N -1.00 -1.18 0.00 5.87 0.04 -0.60 0.58 116.94 120.66 1s77 h PHE 89 Ca -0.24 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1s77 h PHE 89 Cb 1.04 0.50 0.00 0.00 2.20 0.00 0.00 35.95 39.68 1s77 h PHE 89 CO -0.03 -0.52 0.00 0.39 -0.60 0.00 0.00 178.31 177.55 1s77 n GLU 90 N -5.47 0.32 0.00 1.51 1.02 -0.42 -0.77 120.64 116.83 1s77 n GLU 90 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1s77 n GLU 90 Cb 0.38 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 1s77 n GLU 90 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1s77 n GLU 91 N 0.34 1.47 0.24 3.49 4.07 0.37 -4.66 120.64 125.96 1s77 n GLU 91 Ca 0.00 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 1s77 n GLU 91 Cb 0.08 -0.67 0.46 0.00 -0.06 0.00 0.00 31.44 31.25 1s77 n GLU 91 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1s77 h VAL 92 N 0.00 0.29 0.00 6.31 2.07 0.22 -2.28 116.25 122.86 1s77 h VAL 92 Ca 0.00 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1s77 h VAL 92 Cb 0.33 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1s77 h VAL 92 CO 0.00 0.13 0.00 0.29 0.02 0.00 0.00 177.57 178.01 1s77 n LYS 93 N -3.23 0.34 0.09 1.57 5.02 -0.70 -2.57 118.16 118.67 1s77 n LYS 93 Ca 0.01 0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.48 1s77 n LYS 93 Cb 0.43 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.01 1s77 n LYS 93 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s77 h ALA 94 N 3.14 0.54 -2.58 7.82 0.00 -1.69 -3.46 119.26 123.02 1s77 h ALA 94 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1s77 h ALA 94 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1s77 h ALA 94 CO 0.00 0.00 0.39 0.15 0.00 0.00 0.00 179.25 179.79 1s77 s LYS 95 N -3.27 4.67 -0.82 0.00 1.02 -1.06 -4.97 119.74 115.31 1s77 s LYS 95 Ca 0.03 1.51 -0.03 0.00 0.02 0.00 0.00 55.97 57.50 1s77 s LYS 95 Cb 0.11 -3.36 0.26 0.00 -0.52 0.00 0.00 37.83 34.32 1s77 s LYS 95 CO 0.76 0.18 2.21 0.54 -0.92 0.00 0.00 175.35 178.11 1s77 n ARG 96 N 2.72 3.27 0.00 1.68 5.12 -1.26 -4.91 116.66 123.28 1s77 n ARG 96 Ca 0.03 -3.42 0.00 0.00 -1.93 0.00 0.00 57.85 52.52 1s77 n ARG 96 Cb 0.48 -2.30 0.00 0.00 -1.16 0.00 0.00 32.46 29.48 1s77 n ARG 96 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s77 n GLY 97 N 0.06 3.20 3.82 -0.13 0.00 -1.26 -5.16 105.19 105.73 1s77 n GLY 97 Ca 0.52 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 1s77 n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s77 s LYS 98 N 4.75 4.23 -0.01 1.61 2.47 -1.26 -5.06 119.74 126.47 1s77 s LYS 98 Ca 0.00 1.07 -0.17 0.00 -1.56 0.00 0.00 55.97 55.31 1s77 s LYS 98 Cb 0.00 -2.28 -0.06 0.00 -1.46 0.00 0.00 37.83 34.03 1s77 s LYS 98 CO 0.00 0.03 0.46 1.03 0.16 0.00 0.00 175.35 177.04 1s77 s ARG 99 N -3.03 4.09 0.00 4.03 0.52 -1.26 -4.95 118.95 118.35 1s77 s ARG 99 Ca 0.59 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 56.31 1s77 s ARG 99 Cb -0.10 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.09 1s77 s ARG 99 CO 0.15 0.55 0.00 -2.30 0.02 0.00 0.00 175.30 173.72 1s77 n PRO 100 N 2.24 0.00 0.00 3.54 -0.02 -1.26 -4.71 135.00 134.79 1s77 n PRO 100 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1s77 n PRO 100 Cb 0.52 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 1s77 n PRO 100 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1s77 n THR 101 N 0.60 0.00 -0.25 3.45 -1.04 -1.26 -4.25 114.28 111.54 1s77 n THR 101 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1s77 n THR 101 Cb 0.00 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 68.56 1s77 n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s77 h ALA 102 N 0.00 0.87 -0.27 2.41 0.00 -1.86 -3.15 119.26 117.26 1s77 h ALA 102 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1s77 h ALA 102 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1s77 h ALA 102 CO 0.00 0.32 0.00 0.34 0.00 0.00 0.00 179.25 179.91 1s77 n PHE 103 N -4.58 0.00 0.06 0.00 7.35 -1.26 -0.21 117.46 118.81 1s77 n PHE 103 Ca 0.06 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.83 1s77 n PHE 103 Cb 0.03 -0.33 0.52 0.00 0.35 0.00 0.00 39.48 40.05 1s77 n PHE 103 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 1s77 h GLN 104 N 0.00 0.32 -1.82 -4.13 -0.00 -1.94 -2.87 115.11 104.67 1s77 h GLN 104 Ca 0.00 -0.02 -0.42 0.00 -0.00 0.00 0.00 58.65 58.21 1s77 h GLN 104 Cb 0.00 -0.07 -0.16 0.00 -0.00 0.00 0.00 27.48 27.25 1s77 h GLN 104 CO 0.00 0.21 0.35 1.19 -0.00 0.00 0.00 178.83 180.59 1s77 n PHE 105 N -4.49 1.48 -0.36 0.06 3.72 0.70 -3.37 117.46 115.22 1s77 n PHE 105 Ca 0.03 -1.93 0.00 0.00 -0.05 0.00 0.00 57.45 55.50 1s77 n PHE 105 Cb 0.17 -1.24 0.00 0.00 -0.94 0.00 0.00 39.48 37.47 1s77 n PHE 105 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1s77 n LEU 106 N 0.78 0.00 -0.06 4.37 4.77 -1.12 -4.85 117.00 120.89 1s77 n LEU 106 Ca 0.42 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.54 1s77 n LEU 106 Cb 0.58 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 42.36 1s77 n LEU 106 CO 0.34 0.00 0.94 1.67 -1.33 0.00 0.00 177.39 179.01 1s77 n GLN 107 N 0.00 0.60 0.00 3.23 -0.06 -1.10 -3.54 117.38 116.52 1s77 n GLN 107 Ca 0.00 -0.13 0.09 0.00 -2.00 0.00 0.00 57.00 54.97 1s77 n GLN 107 Cb 0.00 -1.50 0.42 0.00 -4.06 0.00 0.00 30.24 25.10 1s77 n GLN 107 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1s77 n GLU 108 N -1.09 0.01 -3.99 3.69 1.02 -1.26 -4.84 120.64 114.19 1s77 n GLU 108 Ca 0.15 0.16 -0.09 0.00 -0.02 0.00 0.00 57.16 57.36 1s77 n GLU 108 Cb 0.25 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 1s77 n GLU 108 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1s77 s ILE 109 N -2.98 0.10 0.16 -3.67 -4.36 -1.23 -4.83 121.20 104.38 1s77 s ILE 109 Ca 0.10 -1.48 -0.33 0.00 -0.26 0.00 0.00 60.65 58.68 1s77 s ILE 109 Cb 0.13 -1.77 -0.16 0.00 1.25 0.00 0.00 42.46 41.91 1s77 s ILE 109 CO 0.35 -0.44 1.19 0.29 0.24 0.00 0.00 174.94 176.58 1s77 n LYS 110 N -0.14 1.20 0.00 0.37 5.02 -1.26 -4.84 118.16 118.50 1s77 n LYS 110 Ca -0.09 0.43 -0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1s77 n LYS 110 Cb 0.63 -1.95 -0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1s77 n LYS 110 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1s77 h PRO 111 N 3.55 -0.00 -0.06 1.97 0.13 -1.96 -1.41 132.00 134.22 1s77 h PRO 111 Ca -0.44 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1s77 h PRO 111 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1s77 h PRO 111 CO 0.71 -0.00 0.19 0.93 -0.23 0.00 0.00 178.00 179.60 1s77 h GLU 112 N -0.00 0.00 -0.00 0.86 4.39 -1.94 0.83 114.58 118.72 1s77 h GLU 112 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1s77 h GLU 112 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1s77 h GLU 112 CO -0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 179.01 177.38 1s77 h ALA 113 N 1.68 1.23 0.11 3.43 0.00 -1.75 -1.41 119.26 122.54 1s77 h ALA 113 Ca 0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1s77 h ALA 113 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1s77 h ALA 113 CO -0.00 0.58 -0.05 0.28 0.00 0.00 0.00 179.25 180.06 1s77 h VAL 114 N 0.01 1.06 -0.94 0.00 2.07 0.17 -2.54 116.25 116.08 1s77 h VAL 114 Ca -0.00 -1.26 0.27 0.00 0.82 0.00 0.00 66.70 66.52 1s77 h VAL 114 Cb 0.83 1.78 -0.14 0.00 -1.52 0.00 0.00 31.29 32.24 1s77 h VAL 114 CO 0.06 0.28 0.42 0.00 0.02 0.00 0.00 177.57 178.35 1s77 h ALA 115 N -0.10 1.61 0.18 1.67 0.00 -1.02 1.11 119.26 122.71 1s77 h ALA 115 Ca -0.01 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1s77 h ALA 115 Cb 0.56 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1s77 h ALA 115 CO 0.02 -0.47 -0.08 -0.92 0.00 0.00 0.00 179.25 177.80 1s77 h TYR 116 N 0.32 -0.22 -0.35 0.00 3.20 -1.30 -0.56 116.97 118.06 1s77 h TYR 116 Ca 0.63 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.60 1s77 h TYR 116 Cb 1.33 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1s77 h TYR 116 CO -0.12 0.19 0.37 0.82 -1.64 0.00 0.00 178.16 177.78 1s77 h ILE 117 N -0.72 0.42 0.00 1.81 2.04 -0.47 0.47 117.51 121.06 1s77 h ILE 117 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1s77 h ILE 117 Cb 0.50 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1s77 h ILE 117 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 178.15 178.60 1s77 n THR 118 N -3.77 0.00 -0.17 -0.27 -1.04 0.36 -3.34 114.28 106.05 1s77 n THR 118 Ca 0.06 0.68 -0.01 0.00 -2.04 0.00 0.00 64.05 62.74 1s77 n THR 118 Cb 0.54 -1.42 0.07 0.00 -1.82 0.00 0.00 70.33 67.70 1s77 n THR 118 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1s77 h ILE 119 N 0.00 0.61 0.00 12.58 2.04 -0.76 0.32 117.51 132.31 1s77 h ILE 119 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1s77 h ILE 119 Cb 0.00 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1s77 h ILE 119 CO 0.00 0.03 0.00 1.17 0.00 0.00 0.00 178.15 179.35 1s77 n LYS 120 N -5.21 0.00 -0.04 2.37 0.00 0.16 -2.07 118.16 113.38 1s77 n LYS 120 Ca 0.07 0.46 -0.04 0.00 0.00 0.00 0.00 58.31 58.79 1s77 n LYS 120 Cb 0.29 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 33.77 1s77 n LYS 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1s77 n THR 121 N -1.47 0.50 0.20 3.15 -1.04 0.51 -3.63 114.28 112.50 1s77 n THR 121 Ca 0.00 -0.26 0.06 0.00 -2.04 0.00 0.00 64.05 61.81 1s77 n THR 121 Cb 0.01 -0.81 0.54 0.00 -1.82 0.00 0.00 70.33 68.24 1s77 n THR 121 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1s77 h THR 122 N 0.00 1.08 0.04 12.58 1.35 0.07 -2.46 112.91 125.57 1s77 h THR 122 Ca -0.20 -0.33 -0.32 0.00 -0.55 0.00 0.00 66.41 65.01 1s77 h THR 122 Cb 1.39 1.08 -0.04 0.00 -1.73 0.00 0.00 68.15 68.85 1s77 h THR 122 CO -0.00 0.10 -1.86 0.18 -0.25 0.00 0.00 175.52 173.69 1s77 n LEU 123 N -4.43 1.46 -0.10 3.87 4.77 -0.94 -2.06 117.00 119.58 1s77 n LEU 123 Ca -0.02 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1s77 n LEU 123 Cb 0.16 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1s77 n LEU 123 CO 0.35 0.56 0.15 0.00 -1.33 0.00 0.00 177.39 177.12 1s77 n ALA 124 N -2.73 1.76 0.00 -1.18 0.00 -0.94 -0.86 120.51 116.56 1s77 n ALA 124 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1s77 n ALA 124 Cb 1.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1s77 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s77 n LEU 126 N -1.64 0.00 0.00 0.00 4.77 -0.67 -2.12 117.00 117.34 1s77 n LEU 126 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1s77 n LEU 126 Cb 0.10 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1s77 n LEU 126 CO 0.00 -0.15 0.10 0.35 -1.33 0.00 0.00 177.39 176.35 1s77 n THR 127 N -1.31 0.00 -0.04 -5.08 -2.24 -0.04 -4.84 114.28 100.73 1s77 n THR 127 Ca 0.07 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.61 1s77 n THR 127 Cb 0.13 1.49 -0.01 0.00 -2.10 0.00 0.00 70.33 69.84 1s77 n THR 127 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1s77 h SER 128 N 0.00 0.00 -1.17 3.42 0.87 -1.57 -3.41 113.55 111.69 1s77 h SER 128 Ca 0.00 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.08 1s77 h SER 128 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1s77 h SER 128 CO 0.00 0.37 -0.25 0.00 -0.53 0.00 0.00 176.83 176.42 1s77 s ALA 129 N -2.84 4.45 -0.13 6.23 0.00 -1.03 -4.82 121.76 123.62 1s77 s ALA 129 Ca -0.06 -1.81 0.18 0.00 0.00 0.00 0.00 51.96 50.26 1s77 s ALA 129 Cb 0.01 -1.32 -0.25 0.00 0.00 0.00 0.00 23.12 21.56 1s77 s ALA 129 CO 0.10 -0.45 0.18 -0.25 0.00 0.00 0.00 175.76 175.34 1s77 n ASP 130 N -1.87 0.43 -4.03 0.00 9.92 -1.26 -4.73 116.55 115.01 1s77 n ASP 130 Ca 0.08 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 54.02 1s77 n ASP 130 Cb 0.61 1.26 -0.13 0.00 -0.64 0.00 0.00 41.12 42.22 1s77 n ASP 130 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1s77 s ASN 131 N -4.97 4.78 -0.03 -2.24 0.01 -1.26 -5.07 114.94 106.16 1s77 s ASN 131 Ca -0.09 -2.49 0.01 0.00 -0.71 0.00 0.00 52.86 49.59 1s77 s ASN 131 Cb 0.08 -1.70 0.02 0.00 0.41 0.00 0.00 41.25 40.06 1s77 s ASN 131 CO 0.78 -0.36 -0.04 0.42 -1.51 0.00 0.00 177.10 176.39 1s77 s THR 132 N 0.46 0.47 0.00 1.60 -4.23 -1.26 -5.10 115.64 107.58 1s77 s THR 132 Ca 0.13 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1s77 s THR 132 Cb -0.22 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.14 1s77 s THR 132 CO -0.04 0.19 0.00 0.35 -0.54 0.00 0.00 174.62 174.58 1s77 n THR 133 N 3.74 0.00 -0.18 3.99 -2.24 -1.26 -1.97 114.28 116.35 1s77 n THR 133 Ca -0.22 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.47 1s77 n THR 133 Cb 0.53 -0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.56 1s77 n THR 133 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1s77 h VAL 134 N 0.45 1.23 -0.72 2.28 -1.51 -1.89 -2.20 116.25 113.88 1s77 h VAL 134 Ca 0.00 -0.78 0.04 0.00 -1.23 0.00 0.00 66.70 64.74 1s77 h VAL 134 Cb 0.00 0.75 -0.05 0.00 -2.13 0.00 0.00 31.29 29.86 1s77 h VAL 134 CO 0.00 0.29 0.44 1.56 -1.23 0.00 0.00 177.57 178.62 1s77 h GLN 135 N 0.72 0.81 0.56 5.19 4.20 -1.97 0.72 115.11 125.33 1s77 h GLN 135 Ca 0.17 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1s77 h GLN 135 Cb 0.27 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1s77 h GLN 135 CO -0.01 0.53 -0.31 0.00 -0.67 0.00 0.00 178.83 178.38 1s77 h ALA 136 N 1.33 -0.81 0.76 3.87 0.00 -1.89 0.87 119.26 123.39 1s77 h ALA 136 Ca 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1s77 h ALA 136 Cb 0.09 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1s77 h ALA 136 CO -0.14 -0.97 -0.49 0.28 0.00 0.00 0.00 179.25 177.93 1s77 h VAL 137 N -0.81 0.00 -0.62 0.00 2.07 -1.15 -2.69 116.25 113.05 1s77 h VAL 137 Ca -0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.58 1s77 h VAL 137 Cb 0.64 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.32 1s77 h VAL 137 CO 0.09 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.74 1s77 h ALA 138 N -1.16 0.66 0.00 1.67 0.00 -0.88 0.94 119.26 120.49 1s77 h ALA 138 Ca -0.10 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s77 h ALA 138 Cb 0.95 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1s77 h ALA 138 CO 0.09 -0.37 0.00 -1.13 0.00 0.00 0.00 179.25 177.84 1s77 n SER 139 N -5.22 0.21 -0.11 0.00 3.41 0.30 -0.38 113.62 111.82 1s77 n SER 139 Ca 0.09 0.58 -0.20 0.00 -0.26 0.00 0.00 58.87 59.09 1s77 n SER 139 Cb 0.35 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 1s77 n SER 139 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s77 n ALA 140 N -1.60 1.32 0.15 7.33 0.00 0.17 -3.59 120.51 124.29 1s77 n ALA 140 Ca 0.01 -0.88 -0.13 0.00 0.00 0.00 0.00 53.44 52.43 1s77 n ALA 140 Cb 0.06 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 19.58 1s77 n ALA 140 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1s77 h ILE 141 N -0.88 0.00 -0.81 0.00 2.04 0.91 2.20 117.51 120.97 1s77 h ILE 141 Ca -0.40 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.58 1s77 h ILE 141 Cb 1.31 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.31 1s77 h ILE 141 CO -0.24 0.00 0.43 1.23 0.00 0.00 0.00 178.15 179.56 1s77 h GLY 142 N -0.65 1.28 1.35 5.37 0.00 -0.84 1.32 103.07 110.90 1s77 h GLY 142 Ca -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1s77 h GLY 142 CO -0.13 0.03 0.30 -0.09 0.00 0.00 0.00 176.54 176.64 1s77 h ARG 143 N 0.67 0.85 -0.01 4.80 1.12 -1.37 -2.09 114.38 118.34 1s77 h ARG 143 Ca 0.42 -0.10 -0.22 0.00 -1.11 0.00 0.00 59.98 58.97 1s77 h ARG 143 Cb 0.51 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.30 1s77 h ARG 143 CO -0.31 0.65 -0.90 0.00 -3.11 0.00 0.00 179.97 176.30 1s77 h ALA 144 N 1.48 0.41 -0.59 2.80 0.00 0.76 -3.06 119.26 121.05 1s77 h ALA 144 Ca 0.21 -0.69 0.10 0.00 0.00 0.00 0.00 54.91 54.52 1s77 h ALA 144 Cb 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1s77 h ALA 144 CO -0.03 0.81 0.40 0.82 0.00 0.00 0.00 179.25 181.25 1s77 h ILE 145 N 0.23 0.90 -2.18 0.00 1.08 0.22 -3.32 117.51 114.44 1s77 h ILE 145 Ca -0.07 -0.14 -0.04 0.00 -0.39 0.00 0.00 64.86 64.23 1s77 h ILE 145 Cb 1.53 0.46 0.02 0.00 -3.07 0.00 0.00 36.82 35.75 1s77 h ILE 145 CO 0.16 0.07 0.04 -0.62 -0.69 0.00 0.00 178.15 177.10 1s77 n GLU 146 N -4.47 -0.10 0.00 2.37 1.02 -1.01 -1.22 120.64 117.23 1s77 n GLU 146 Ca 0.10 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1s77 n GLU 146 Cb 0.37 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 1s77 n GLU 146 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1s77 n ASP 147 N -3.07 0.00 0.04 1.62 8.00 -1.26 -2.94 116.55 118.94 1s77 n ASP 147 Ca 0.01 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.50 1s77 n ASP 147 Cb 0.05 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.43 1s77 n ASP 147 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1s77 h GLU 148 N 0.00 0.41 -0.18 -1.24 4.39 -1.70 0.68 114.58 116.94 1s77 h GLU 148 Ca 0.00 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 59.41 1s77 h GLU 148 Cb 0.00 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1s77 h GLU 148 CO 0.00 0.57 -0.55 0.00 -1.16 0.00 0.00 179.01 177.87 1s77 h ALA 149 N 1.45 0.31 -3.00 3.43 0.00 -1.04 -1.70 119.26 118.71 1s77 h ALA 149 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1s77 h ALA 149 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1s77 h ALA 149 CO 0.03 0.53 0.00 0.54 0.00 0.00 0.00 179.25 180.35 1s77 n ARG 150 N -4.11 0.00 0.00 0.00 1.74 -0.61 -1.48 116.66 112.19 1s77 n ARG 150 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1s77 n ARG 150 Cb 0.63 -0.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1s77 n ARG 150 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1s77 n PHE 151 N 0.00 0.00 -0.10 -1.55 3.01 0.23 -1.64 117.46 117.40 1s77 n PHE 151 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 1s77 n PHE 151 Cb 0.00 -0.22 -0.12 0.00 -0.01 0.00 0.00 39.48 39.13 1s77 n PHE 151 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s77 n GLY 152 N -1.18 -0.58 0.00 1.37 0.00 -0.67 -4.27 105.19 99.85 1s77 n GLY 152 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.86 1s77 n GLY 152 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s77 n ARG 153 N -2.93 0.19 0.00 1.61 3.00 -0.55 -1.71 116.66 116.27 1s77 n ARG 153 Ca -0.35 0.15 0.10 0.00 -0.00 0.00 0.00 57.85 57.74 1s77 n ARG 153 Cb 1.00 -1.50 0.57 0.00 0.00 0.00 0.00 32.46 32.53 1s77 n ARG 153 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1s77 n ILE 154 N -1.24 0.00 -0.11 5.15 3.06 -1.23 -3.63 119.36 121.36 1s77 n ILE 154 Ca 0.06 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.25 1s77 n ILE 154 Cb 0.08 -0.60 0.01 0.00 0.54 0.00 0.00 39.64 39.66 1s77 n ILE 154 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1s77 h ARG 155 N 0.00 -0.15 0.00 9.51 1.12 -1.63 -3.36 114.38 119.87 1s77 h ARG 155 Ca 0.00 0.01 -0.40 0.00 -1.11 0.00 0.00 59.98 58.48 1s77 h ARG 155 Cb 0.00 0.03 0.04 0.00 -0.01 0.00 0.00 29.97 30.04 1s77 h ARG 155 CO 0.00 -0.10 0.00 -0.40 -3.11 0.00 0.00 179.97 176.36 1s77 n ASP 156 N -5.39 1.51 -2.18 -3.80 5.75 -1.24 -2.96 116.55 108.25 1s77 n ASP 156 Ca 0.02 -2.15 -0.07 0.00 -0.01 0.00 0.00 54.79 52.58 1s77 n ASP 156 Cb 0.30 -0.43 -0.01 0.00 -1.03 0.00 0.00 41.12 39.95 1s77 n ASP 156 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1s77 n LEU 157 N 0.00 -0.61 0.00 -2.12 7.99 -1.26 -4.16 117.00 116.84 1s77 n LEU 157 Ca 0.14 0.29 0.00 0.00 -0.01 0.00 0.00 56.01 56.43 1s77 n LEU 157 Cb 0.50 -1.56 0.00 0.00 -0.11 0.00 0.00 43.42 42.25 1s77 n LEU 157 CO 0.33 -0.14 0.00 1.21 -1.51 0.00 0.00 177.39 177.28 1s77 n GLU 158 N -2.40 0.00 -0.64 3.23 4.07 -1.26 -4.87 120.64 118.78 1s77 n GLU 158 Ca -0.08 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.71 1s77 n GLU 158 Cb 0.49 0.00 0.19 0.00 -0.06 0.00 0.00 31.44 32.05 1s77 n GLU 158 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1s77 n ALA 159 N 0.00 -1.87 -0.24 4.31 0.00 -1.16 0.10 120.51 121.66 1s77 n ALA 159 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1s77 n ALA 159 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1s77 n ALA 159 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s77 n LYS 160 N -3.90 0.00 0.00 0.00 5.02 -1.26 -4.29 118.16 113.72 1s77 n LYS 160 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1s77 n LYS 160 Cb 0.53 -3.63 0.00 0.00 -0.02 0.00 0.00 35.03 31.91 1s77 n LYS 160 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1s77 n HIS 161 N -2.00 0.00 0.05 2.13 8.25 -0.61 -4.71 115.22 118.32 1s77 n HIS 161 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1s77 n HIS 161 Cb 0.00 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 1s77 n HIS 161 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1s77 h PHE 162 N 0.00 0.56 0.00 4.41 3.57 -0.52 -3.08 116.94 121.88 1s77 h PHE 162 Ca 0.00 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1s77 h PHE 162 Cb 0.04 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1s77 h PHE 162 CO 0.00 1.42 0.00 1.63 -2.23 0.00 0.00 178.31 179.13 1s77 n LYS 163 N -4.01 0.61 0.00 1.11 5.02 -1.26 -3.99 118.16 115.64 1s77 n LYS 163 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1s77 n LYS 163 Cb 0.88 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 1s77 n LYS 163 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s77 n LYS 164 N -0.45 0.00 -1.15 1.97 4.76 -1.17 -4.67 118.16 117.45 1s77 n LYS 164 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1s77 n LYS 164 Cb 0.01 -1.26 -0.03 0.00 -1.84 0.00 0.00 35.03 31.91 1s77 n LYS 164 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1s77 n ASN 165 N -0.61 -2.39 0.00 4.39 5.15 -1.26 -4.65 115.26 115.90 1s77 n ASN 165 Ca 0.00 0.19 0.11 0.00 -0.60 0.00 0.00 54.58 54.28 1s77 n ASN 165 Cb 0.00 -2.29 0.56 0.00 -0.53 0.00 0.00 39.78 37.52 1s77 n ASN 165 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1s77 n VAL 166 N -1.49 0.31 0.25 3.44 0.31 -1.26 -1.33 118.33 118.56 1s77 n VAL 166 Ca -0.08 0.08 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1s77 n VAL 166 Cb 0.28 -0.70 0.01 0.00 -0.91 0.00 0.00 33.84 32.53 1s77 n VAL 166 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1s77 n GLU 167 N -1.32 1.03 -2.95 5.55 4.71 -1.26 -5.05 120.64 121.35 1s77 n GLU 167 Ca 0.10 -0.67 -0.02 0.00 -0.01 0.00 0.00 57.16 56.57 1s77 n GLU 167 Cb 0.19 -1.03 -0.01 0.00 -1.01 0.00 0.00 31.44 29.58 1s77 n GLU 167 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1s77 n GLU 168 N 0.01 -2.16 -3.87 3.49 -0.58 -0.44 -3.10 120.64 114.00 1s77 n GLU 168 Ca 0.03 1.86 -0.29 0.00 -0.42 0.00 0.00 57.16 58.34 1s77 n GLU 168 Cb 0.14 -2.31 0.03 0.00 -0.57 0.00 0.00 31.44 28.73 1s77 n GLU 168 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1s77 n GLN 169 N 1.98 -5.83 0.00 3.49 0.00 -1.26 -3.87 117.38 111.90 1s77 n GLN 169 Ca -0.11 0.63 0.00 0.00 -0.00 0.00 0.00 57.00 57.52 1s77 n GLN 169 Cb 0.25 -5.53 0.00 0.00 0.00 0.00 0.00 30.24 24.96 1s77 n GLN 169 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1s77 n LEU 170 N -4.71 0.00 -3.25 1.69 7.99 -1.18 -0.69 117.00 116.84 1s77 n LEU 170 Ca 0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.76 1s77 n LEU 170 Cb 0.54 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.82 1s77 n LEU 170 CO 0.74 0.00 2.41 0.59 -1.51 0.00 0.00 177.39 179.61 1s77 n ASN 171 N 1.51 4.85 0.01 -1.43 5.03 -1.26 -4.67 115.26 119.29 1s77 n ASN 171 Ca 0.00 -2.39 -0.11 0.00 0.87 0.00 0.00 54.58 52.94 1s77 n ASN 171 Cb 0.00 -1.14 -0.07 0.00 -1.02 0.00 0.00 39.78 37.55 1s77 n ASN 171 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1s77 h LYS 172 N 6.43 -0.44 -6.28 3.52 1.63 -1.02 -3.34 116.57 117.07 1s77 h LYS 172 Ca 0.51 0.03 -0.53 0.00 -0.85 0.00 0.00 60.65 59.81 1s77 h LYS 172 Cb 0.24 0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 31.91 1s77 h LYS 172 CO 1.54 -0.29 1.14 -0.98 -3.45 0.00 0.00 179.45 177.42 1s77 s ARG 173 N -5.01 3.08 1.03 1.90 3.03 -1.26 -4.98 118.95 116.75 1s77 s ARG 173 Ca -0.12 0.17 -0.19 0.00 2.03 0.00 0.00 55.73 57.62 1s77 s ARG 173 Cb 0.05 -4.21 -0.03 0.00 -1.03 0.00 0.00 34.95 29.73 1s77 s ARG 173 CO 0.45 -2.23 -0.41 1.33 -1.13 0.00 0.00 175.30 173.31 1s77 n VAL 174 N 6.72 0.00 0.00 4.99 0.24 -1.25 -4.62 118.33 124.41 1s77 n VAL 174 Ca 0.10 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1s77 n VAL 174 Cb 0.50 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 1s77 n VAL 174 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s77 n GLY 175 N 2.50 3.46 0.10 7.63 0.00 -1.26 -4.76 105.19 112.86 1s77 n GLY 175 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1s77 n GLY 175 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1s77 h HIS 176 N 0.00 -0.34 0.00 1.61 -0.00 -1.97 -2.50 115.15 111.96 1s77 h HIS 176 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1s77 h HIS 176 Cb 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 1s77 h HIS 176 CO 0.00 -0.12 -0.92 0.28 -0.00 0.00 0.00 177.93 177.17 1s77 n VAL 177 N -3.14 0.07 -0.17 5.26 0.31 -1.26 -4.23 118.33 115.18 1s77 n VAL 177 Ca -0.01 -0.12 -0.05 0.00 -0.01 0.00 0.00 64.34 64.15 1s77 n VAL 177 Cb 0.08 0.45 0.05 0.00 -0.91 0.00 0.00 33.84 33.51 1s77 n VAL 177 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1s77 h TYR 178 N 0.00 0.49 0.00 3.52 -1.99 -1.86 1.12 116.97 118.25 1s77 h TYR 178 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1s77 h TYR 178 Cb 0.61 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.20 1s77 h TYR 178 CO 0.00 0.25 0.01 0.87 -0.00 0.00 0.00 178.16 179.29 1s77 h LYS 179 N 0.52 0.00 0.00 4.88 1.57 -1.62 0.31 116.57 122.23 1s77 h LYS 179 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1s77 h LYS 179 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1s77 h LYS 179 CO -0.14 0.00 -1.45 1.17 -0.57 0.00 0.00 179.45 178.46 1s77 n LYS 180 N -2.39 0.86 0.00 3.15 4.81 0.20 -4.36 118.16 120.42 1s77 n LYS 180 Ca -0.02 -0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1s77 n LYS 180 Cb 0.05 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 33.79 1s77 n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s77 n ALA 181 N -1.86 -0.14 -0.29 3.14 0.00 0.33 -2.32 120.51 119.37 1s77 n ALA 181 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 1s77 n ALA 181 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.79 1s77 n ALA 181 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1s77 n PHE 182 N -1.53 0.00 -1.51 0.00 3.01 -0.60 -1.28 117.46 115.54 1s77 n PHE 182 Ca 0.00 -0.57 0.00 0.00 1.01 0.00 0.00 57.45 57.89 1s77 n PHE 182 Cb 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 1s77 n PHE 182 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1s77 n MET 183 N 1.76 0.00 -0.10 -1.08 2.81 -1.26 -4.91 117.12 114.35 1s77 n MET 183 Ca 0.01 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.76 1s77 n MET 183 Cb 0.29 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.75 1s77 n MET 183 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s77 n GLN 184 N 0.00 0.54 0.00 0.03 10.64 -0.40 -4.30 117.38 123.89 1s77 n GLN 184 Ca 0.00 0.22 0.11 0.00 -1.83 0.00 0.00 57.00 55.50 1s77 n GLN 184 Cb 0.33 -1.43 0.50 0.00 -0.86 0.00 0.00 30.24 28.77 1s77 n GLN 184 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1s77 n VAL 185 N -4.40 0.42 0.38 -0.39 0.31 -1.26 -1.49 118.33 111.91 1s77 n VAL 185 Ca -0.23 0.10 0.14 0.00 -0.01 0.00 0.00 64.34 64.34 1s77 n VAL 185 Cb 0.60 -0.71 0.51 0.00 -0.91 0.00 0.00 33.84 33.32 1s77 n VAL 185 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1s77 h VAL 186 N 0.00 0.00 0.00 2.52 2.07 -1.86 -1.13 116.25 117.85 1s77 h VAL 186 Ca 0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1s77 h VAL 186 Cb 0.37 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1s77 h VAL 186 CO 0.00 0.00 0.00 -0.08 0.02 0.00 0.00 177.57 177.51 1s77 h GLU 187 N 0.00 0.00 -0.60 1.57 4.81 -1.45 -3.29 114.58 115.62 1s77 h GLU 187 Ca 0.00 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1s77 h GLU 187 Cb 0.53 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.80 1s77 h GLU 187 CO 0.00 0.00 -0.43 0.00 -0.73 0.00 0.00 179.01 177.85 1s77 h ALA 188 N 2.22 -0.30 -0.92 2.92 0.00 -1.37 -3.42 119.26 118.39 1s77 h ALA 188 Ca 0.00 0.12 -0.75 0.00 0.00 0.00 0.00 54.91 54.28 1s77 h ALA 188 Cb 0.53 0.96 0.04 0.00 0.00 0.00 0.00 17.79 19.31 1s77 h ALA 188 CO 0.00 -0.81 0.20 -0.25 0.00 0.00 0.00 179.25 178.39 1s77 n ASP 189 N -5.41 0.27 -0.05 0.00 8.00 -1.24 -4.84 116.55 113.28 1s77 n ASP 189 Ca 0.02 1.08 -0.09 0.00 0.71 0.00 0.00 54.79 56.51 1s77 n ASP 189 Cb 0.35 -0.84 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 1s77 n ASP 189 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s77 h MET 190 N 3.23 0.15 0.00 -1.24 -0.00 -1.90 -3.47 114.93 111.68 1s77 h MET 190 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 1s77 h MET 190 Cb 1.30 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.87 1s77 h MET 190 CO 0.68 0.10 0.00 1.28 -0.00 0.00 0.00 176.91 178.96 1s77 n LEU 191 N -5.06 0.00 -4.66 -0.10 4.77 -1.26 -4.05 117.00 106.64 1s77 n LEU 191 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 1s77 n LEU 191 Cb 0.09 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1s77 n LEU 191 CO 0.29 -0.01 1.25 -0.55 -1.33 0.00 0.00 177.39 177.04 1s77 s SER 192 N -4.00 6.78 1.81 -1.43 0.15 -1.26 -4.68 113.70 111.07 1s77 s SER 192 Ca 0.00 2.03 0.00 0.00 0.70 0.00 0.00 55.95 58.68 1s77 s SER 192 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1s77 s SER 192 CO 0.00 -0.86 0.00 0.29 1.20 0.00 0.00 173.24 173.87 1s77 n LYS 193 N 6.88 0.00 0.00 5.44 5.02 -1.26 -4.97 118.16 129.27 1s77 n LYS 193 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1s77 n LYS 193 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 1s77 n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s77 n GLY 194 N 0.00 0.78 1.17 0.72 0.00 -1.26 -4.90 105.19 101.71 1s77 n GLY 194 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1s77 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s77 n ALA 200 N -1.00 -1.78 -3.68 4.61 0.00 -1.26 -5.05 120.51 112.35 1s77 n ALA 200 Ca 0.00 0.34 -0.14 0.00 0.00 0.00 0.00 53.44 53.64 1s77 n ALA 200 Cb 0.00 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.13 1s77 n ALA 200 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1s77 s TRP 201 N -3.41 -0.35 -0.98 0.00 -0.11 -1.26 -5.09 118.94 107.73 1s77 s TRP 201 Ca 0.00 0.85 -0.20 0.00 1.22 0.00 0.00 56.10 57.97 1s77 s TRP 201 Cb 0.00 -0.07 0.10 0.00 -1.50 0.00 0.00 33.47 32.01 1s77 s TRP 201 CO 0.00 -0.31 1.26 0.45 -4.62 0.00 0.00 176.95 173.73 1s77 s SER 202 N 2.13 6.61 0.28 5.86 0.15 -1.26 -4.99 113.70 122.47 1s77 s SER 202 Ca -0.01 -1.89 -0.24 0.00 0.70 0.00 0.00 55.95 54.51 1s77 s SER 202 Cb -0.12 -2.46 -0.16 0.00 -1.71 0.00 0.00 66.02 61.58 1s77 s SER 202 CO -0.08 -1.20 0.31 -1.20 1.20 0.00 0.00 173.24 172.27 1s77 n SER 203 N 7.32 -1.87 -0.73 5.45 7.64 -1.26 -4.67 113.62 125.49 1s77 n SER 203 Ca 0.28 0.94 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1s77 n SER 203 Cb 0.49 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1s77 n SER 203 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1s77 n TRP 204 N -0.43 0.00 0.00 1.43 7.02 -1.26 -4.89 117.44 119.31 1s77 n TRP 204 Ca 0.14 -0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.56 1s77 n TRP 204 Cb 0.30 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 1s77 n TRP 204 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1s77 n HIS 205 N 0.60 0.00 -2.00 -5.99 8.25 -1.26 -3.86 115.22 110.96 1s77 n HIS 205 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1s77 n HIS 205 Cb 0.10 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1s77 n HIS 205 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1s77 n LYS 206 N 14.00 0.00 0.00 -0.41 0.00 -1.26 -4.91 118.16 125.58 1s77 n LYS 206 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 1s77 n LYS 206 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 35.03 35.13 1s77 n LYS 206 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1s77 n GLU 207 N 0.00 2.59 -0.03 -1.58 0.28 -1.26 -4.77 120.64 115.88 1s77 n GLU 207 Ca -0.06 -0.04 -0.21 0.00 -0.16 0.00 0.00 57.16 56.70 1s77 n GLU 207 Cb 0.54 -0.31 -0.13 0.00 1.43 0.00 0.00 31.44 32.97 1s77 n GLU 207 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1s77 n ASP 208 N -0.38 2.09 -0.28 -1.84 8.00 -1.25 -4.15 116.55 118.73 1s77 n ASP 208 Ca 0.00 0.17 -0.07 0.00 0.71 0.00 0.00 54.79 55.60 1s77 n ASP 208 Cb 0.02 -0.80 -0.03 0.00 -0.02 0.00 0.00 41.12 40.30 1s77 n ASP 208 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1s77 h SER 209 N -0.03 -1.60 -0.21 -2.24 0.02 -1.86 0.72 113.55 108.36 1s77 h SER 209 Ca -0.45 0.28 0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1s77 h SER 209 Cb 1.96 0.75 -0.06 0.00 0.14 0.00 0.00 62.40 65.18 1s77 h SER 209 CO 0.03 -0.31 -0.21 0.16 -1.14 0.00 0.00 176.83 175.36 1s77 h ILE 210 N -0.14 0.45 -0.50 3.27 3.07 -1.76 0.17 117.51 122.07 1s77 h ILE 210 Ca 0.22 0.00 0.05 0.00 1.55 0.00 0.00 64.86 66.67 1s77 h ILE 210 Cb 0.55 0.45 -0.05 0.00 -0.27 0.00 0.00 36.82 37.50 1s77 h ILE 210 CO -0.80 0.00 0.24 0.45 -1.05 0.00 0.00 178.15 176.98 1s77 h HIS 211 N -0.23 0.43 -0.15 0.16 3.86 -1.12 0.50 115.15 118.59 1s77 h HIS 211 Ca 0.13 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.40 1s77 h HIS 211 Cb 0.42 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.72 1s77 h HIS 211 CO -0.36 0.20 -0.19 0.28 0.86 0.00 0.00 177.93 178.72 1s77 h VAL 212 N 0.46 0.51 -0.62 2.45 2.07 0.14 -2.29 116.25 118.96 1s77 h VAL 212 Ca 0.22 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 1s77 h VAL 212 Cb 0.16 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1s77 h VAL 212 CO -0.17 0.00 0.20 1.23 0.02 0.00 0.00 177.57 178.84 1s77 h GLY 213 N -0.23 1.04 -0.04 2.17 0.00 0.01 -2.85 103.07 103.16 1s77 h GLY 213 Ca 0.11 -0.61 0.10 0.00 0.00 0.00 0.00 47.33 46.92 1s77 h GLY 213 CO -0.29 0.57 -0.16 -2.08 0.00 0.00 0.00 176.54 174.58 1s77 h VAL 214 N 0.89 0.45 -0.54 4.60 2.07 0.53 0.45 116.25 124.70 1s77 h VAL 214 Ca 0.20 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.61 1s77 h VAL 214 Cb 0.29 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1s77 h VAL 214 CO -0.01 0.00 -0.09 -0.09 0.02 0.00 0.00 177.57 177.40 1s77 h ARG 215 N -0.05 1.01 0.18 1.57 9.65 -1.48 0.84 114.38 126.09 1s77 h ARG 215 Ca 0.23 -0.36 0.01 0.00 -1.10 0.00 0.00 59.98 58.76 1s77 h ARG 215 Cb 0.40 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 1s77 h ARG 215 CO -0.52 1.04 -0.27 0.00 2.80 0.00 0.00 179.97 183.02 1s77 h ILE 217 N -0.52 1.08 0.03 0.00 2.04 0.06 -1.27 117.51 118.94 1s77 h ILE 217 Ca 0.02 -0.15 -0.25 0.00 1.00 0.00 0.00 64.86 65.47 1s77 h ILE 217 Cb 0.52 0.60 0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1s77 h ILE 217 CO -0.12 0.08 -1.00 -0.33 0.00 0.00 0.00 178.15 176.78 1s77 h GLU 218 N 0.44 0.62 -0.57 2.37 5.08 0.01 -2.39 114.58 120.14 1s77 h GLU 218 Ca 0.12 -0.71 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1s77 h GLU 218 Cb -0.04 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1s77 h GLU 218 CO -0.03 1.30 0.00 0.00 -1.00 0.00 0.00 179.01 179.28 1s77 n MET 219 N -3.92 1.63 -0.12 2.33 0.00 0.21 -0.96 117.12 116.30 1s77 n MET 219 Ca -0.12 -0.64 -0.23 0.00 0.00 0.00 0.00 57.70 56.71 1s77 n MET 219 Cb 0.87 -1.42 -0.09 0.00 0.00 0.00 0.00 33.22 32.58 1s77 n MET 219 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1s77 n LEU 220 N 0.06 1.98 0.23 3.17 7.94 -0.51 -3.39 117.00 126.48 1s77 n LEU 220 Ca 0.06 0.20 0.11 0.00 -1.11 0.00 0.00 56.01 55.27 1s77 n LEU 220 Cb 0.31 -0.72 0.46 0.00 0.53 0.00 0.00 43.42 44.00 1s77 n LEU 220 CO 0.06 0.58 0.82 0.40 -1.11 0.00 0.00 177.39 178.14 1s77 h ILE 221 N -0.66 0.42 0.02 1.96 2.04 -1.21 0.34 117.51 120.42 1s77 h ILE 221 Ca -0.58 -1.05 -0.21 0.00 1.00 0.00 0.00 64.86 64.02 1s77 h ILE 221 Cb 1.59 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 39.42 1s77 h ILE 221 CO -0.30 0.18 -0.95 -0.08 0.00 0.00 0.00 178.15 177.00 1s77 h GLU 222 N 0.00 0.12 0.00 2.37 4.81 -1.23 -3.41 114.58 117.25 1s77 h GLU 222 Ca -0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1s77 h GLU 222 Cb 0.75 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1s77 h GLU 222 CO 0.02 0.97 -0.95 -1.13 -0.73 0.00 0.00 179.01 177.19 1s77 n SER 223 N -3.55 1.88 0.00 1.04 3.41 -0.98 -5.02 113.62 110.39 1s77 n SER 223 Ca -0.03 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1s77 n SER 223 Cb 0.86 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1s77 n SER 223 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1s77 n THR 224 N -4.40 0.00 -0.17 6.66 -2.24 0.12 -5.02 114.28 109.23 1s77 n THR 224 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1s77 n THR 224 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1s77 n THR 224 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s77 n GLY 225 N 4.42 0.17 0.00 3.38 0.00 -1.25 -4.90 105.19 107.01 1s77 n GLY 225 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s77 n GLY 225 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s77 n MET 226 N 0.00 0.00 -1.56 1.61 2.81 -1.26 -4.33 117.12 114.39 1s77 n MET 226 Ca 0.00 0.00 -0.48 0.00 -1.81 0.00 0.00 57.70 55.41 1s77 n MET 226 Cb 0.00 -0.47 -0.05 0.00 -0.71 0.00 0.00 33.22 31.99 1s77 n MET 226 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1s77 n VAL 227 N 0.00 0.35 -4.55 2.03 0.31 -1.26 -0.18 118.33 115.03 1s77 n VAL 227 Ca 0.00 -0.27 -0.24 0.00 -0.01 0.00 0.00 64.34 63.82 1s77 n VAL 227 Cb 0.00 -1.98 -0.05 0.00 -0.91 0.00 0.00 33.84 30.90 1s77 n VAL 227 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1s77 n SER 228 N 9.45 2.90 0.00 4.52 7.64 -0.44 -4.72 113.62 132.97 1s77 n SER 228 Ca 0.32 -2.64 0.00 0.00 1.01 0.00 0.00 58.87 57.56 1s77 n SER 228 Cb 0.31 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1s77 n SER 228 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1s77 n LEU 229 N 0.00 0.00 0.25 -3.43 7.99 -1.26 -3.64 117.00 116.90 1s77 n LEU 229 Ca -0.15 0.00 0.16 0.00 -0.01 0.00 0.00 56.01 56.01 1s77 n LEU 229 Cb 0.47 0.00 0.86 0.00 -0.11 0.00 0.00 43.42 44.65 1s77 n LEU 229 CO 0.25 0.00 1.14 0.45 -1.51 0.00 0.00 177.39 177.72 1s77 h HIS 230 N 0.00 0.00 -0.19 -1.77 3.86 -2.01 -3.49 115.15 111.55 1s77 h HIS 230 Ca 0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 1s77 h HIS 230 Cb 0.00 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.48 1s77 h HIS 230 CO 0.00 0.00 -0.03 0.43 0.86 0.00 0.00 177.93 179.19 1s77 n SER 241 N -3.84 -0.09 -3.32 2.45 7.64 -1.26 -5.19 113.62 110.00 1s77 n SER 241 Ca -0.00 0.22 -0.18 0.00 1.01 0.00 0.00 58.87 59.91 1s77 n SER 241 Cb 0.22 -0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 1s77 n SER 241 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1s77 n GLU 242 N 0.24 0.95 -4.76 1.43 -0.58 -1.26 -5.11 120.64 111.56 1s77 n GLU 242 Ca 0.04 -2.27 -0.28 0.00 -0.42 0.00 0.00 57.16 54.23 1s77 n GLU 242 Cb 0.03 0.93 -0.14 0.00 -0.57 0.00 0.00 31.44 31.68 1s77 n GLU 242 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1s77 s THR 243 N -2.35 1.89 -0.03 2.62 -4.23 -1.26 -3.53 115.64 108.75 1s77 s THR 243 Ca 0.07 -1.30 -0.14 0.00 -1.18 0.00 0.00 61.69 59.14 1s77 s THR 243 Cb 0.00 -1.63 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 1s77 s THR 243 CO 0.05 0.28 0.39 0.27 -0.54 0.00 0.00 174.62 175.07 1s77 s ILE 244 N -0.81 5.09 -0.04 2.99 -5.25 -0.83 -4.86 121.20 117.50 1s77 s ILE 244 Ca 0.10 0.79 -0.02 0.00 -0.99 0.00 0.00 60.65 60.52 1s77 s ILE 244 Cb -0.09 -3.70 0.02 0.00 2.95 0.00 0.00 42.46 41.64 1s77 s ILE 244 CO 0.02 0.54 0.08 -1.83 -1.79 0.00 0.00 174.94 171.97 1s77 s GLU 245 N -0.80 0.06 0.21 0.37 -1.05 -1.24 -4.74 118.70 111.51 1s77 s GLU 245 Ca 0.23 0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 54.94 1s77 s GLU 245 Cb -0.16 -0.08 -0.09 0.00 -0.44 0.00 0.00 34.13 33.36 1s77 s GLU 245 CO 0.12 -0.09 1.40 -1.17 0.95 0.00 0.00 175.26 176.47 1s77 s LEU 246 N 0.57 4.39 1.00 1.83 2.96 -1.26 -1.33 118.68 126.85 1s77 s LEU 246 Ca -0.04 2.53 -0.16 0.00 -0.22 0.00 0.00 54.13 56.23 1s77 s LEU 246 Cb -0.06 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 1s77 s LEU 246 CO -0.02 -0.64 -0.10 0.00 -1.32 0.00 0.00 176.35 174.27 1s77 n ALA 247 N 2.73 -3.82 -0.05 5.97 0.00 0.74 -4.80 120.51 121.29 1s77 n ALA 247 Ca 0.08 -0.85 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 1s77 n ALA 247 Cb 0.41 -1.52 -0.07 0.00 0.00 0.00 0.00 19.45 18.27 1s77 n ALA 247 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1s77 h PRO 248 N -1.52 0.29 0.00 0.00 0.11 -1.93 -2.94 132.00 126.02 1s77 h PRO 248 Ca -0.46 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1s77 h PRO 248 Cb 1.31 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1s77 h PRO 248 CO 0.32 0.66 0.00 1.05 -0.21 0.00 0.00 178.00 179.81 1s77 h GLU 249 N -0.07 0.00 0.00 1.05 9.09 -1.97 -1.85 114.58 120.83 1s77 h GLU 249 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 1s77 h GLU 249 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.69 1s77 h GLU 249 CO 0.02 0.00 -0.82 0.66 0.05 0.00 0.00 179.01 178.93 1s77 n TYR 250 N -3.07 0.14 -0.11 2.06 4.01 -1.24 -3.24 117.16 115.71 1s77 n TYR 250 Ca 0.03 0.04 -0.24 0.00 -0.16 0.00 0.00 57.90 57.57 1s77 n TYR 250 Cb 0.46 -0.30 -0.11 0.00 -0.31 0.00 0.00 39.34 39.07 1s77 n TYR 250 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s77 n ALA 251 N -1.65 1.07 0.22 -0.72 0.00 -1.11 -3.51 120.51 114.81 1s77 n ALA 251 Ca 0.04 -0.85 0.03 0.00 0.00 0.00 0.00 53.44 52.66 1s77 n ALA 251 Cb 0.38 -0.23 0.13 0.00 0.00 0.00 0.00 19.45 19.73 1s77 n ALA 251 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s77 n GLU 252 N -4.02 0.01 -0.07 0.00 1.02 -0.70 -1.60 120.64 115.27 1s77 n GLU 252 Ca -0.43 0.38 -0.07 0.00 -0.02 0.00 0.00 57.16 57.02 1s77 n GLU 252 Cb 0.87 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.75 1s77 n GLU 252 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s77 h ALA 253 N 2.22 0.04 -0.75 0.62 0.00 -1.67 -1.99 119.26 117.73 1s77 h ALA 253 Ca 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 54.91 54.60 1s77 h ALA 253 Cb 0.10 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1s77 h ALA 253 CO 0.00 0.28 0.49 0.82 0.00 0.00 0.00 179.25 180.84 1s77 h ILE 254 N -1.00 0.87 -0.34 0.00 2.04 -1.52 0.36 117.51 117.93 1s77 h ILE 254 Ca -0.05 -0.19 -0.17 0.00 1.00 0.00 0.00 64.86 65.45 1s77 h ILE 254 Cb 0.51 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1s77 h ILE 254 CO -0.03 0.10 -0.45 0.00 0.00 0.00 0.00 178.15 177.77 1s77 h ALA 255 N 1.64 0.57 -0.13 1.87 0.00 -1.42 -1.82 119.26 119.97 1s77 h ALA 255 Ca 0.36 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1s77 h ALA 255 Cb 0.64 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1s77 h ALA 255 CO -0.13 0.68 -0.13 1.15 0.00 0.00 0.00 179.25 180.82 1s77 h THR 256 N 0.70 1.35 -0.97 0.00 2.02 -0.30 -2.68 112.91 113.03 1s77 h THR 256 Ca 0.04 -1.29 0.22 0.00 0.77 0.00 0.00 66.41 66.15 1s77 h THR 256 Cb 1.04 1.92 -0.12 0.00 -1.74 0.00 0.00 68.15 69.25 1s77 h THR 256 CO 0.10 0.37 0.55 -0.09 0.37 0.00 0.00 175.52 176.82 1s77 h ARG 257 N -0.08 0.58 0.51 6.66 9.65 -0.30 0.19 114.38 131.60 1s77 h ARG 257 Ca 0.02 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1s77 h ARG 257 Cb 0.65 -0.13 0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1s77 h ARG 257 CO 0.03 0.38 -0.25 0.00 2.80 0.00 0.00 179.97 182.94 1s77 h ALA 258 N 1.69 -1.06 -0.93 2.80 0.00 -1.16 -2.37 119.26 118.23 1s77 h ALA 258 Ca 0.60 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.60 1s77 h ALA 258 Cb 1.06 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.99 1s77 h ALA 258 CO -0.45 -1.01 0.43 0.78 0.00 0.00 0.00 179.25 178.99 1s77 h GLY 259 N -0.76 1.65 -3.13 0.00 0.00 -1.05 0.92 103.07 100.69 1s77 h GLY 259 Ca -0.07 -0.18 -0.23 0.00 0.00 0.00 0.00 47.33 46.86 1s77 h GLY 259 CO 0.12 -0.31 0.29 0.00 0.00 0.00 0.00 176.54 176.63 1s77 n ALA 260 N -2.47 4.41 0.00 3.60 0.00 0.61 -3.33 120.51 123.33 1s77 n ALA 260 Ca 0.24 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1s77 n ALA 260 Cb 0.72 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1s77 n ALA 260 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1s77 n LEU 261 N 0.36 0.00 0.22 0.00 7.94 0.28 -4.85 117.00 120.96 1s77 n LEU 261 Ca 0.22 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.24 1s77 n LEU 261 Cb 0.69 0.00 0.39 0.00 0.53 0.00 0.00 43.42 45.03 1s77 n LEU 261 CO 0.27 0.00 0.80 0.00 -1.11 0.00 0.00 177.39 177.35 1s77 h ALA 262 N 0.00 0.96 -0.80 1.96 0.00 -0.40 -3.27 119.26 117.70 1s77 h ALA 262 Ca 0.00 -0.14 -0.57 0.00 0.00 0.00 0.00 54.91 54.20 1s77 h ALA 262 Cb 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 17.53 1s77 h ALA 262 CO 0.00 0.20 0.72 0.41 0.00 0.00 0.00 179.25 180.58 1s77 n GLY 263 N 0.50 5.18 0.00 0.00 0.00 -1.25 -3.41 105.19 106.20 1s77 n GLY 263 Ca 0.01 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1s77 n GLY 263 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1s77 n ILE 264 N -0.34 0.00 -2.82 -0.61 -5.35 -1.24 -4.90 119.36 104.11 1s77 n ILE 264 Ca 0.51 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.75 1s77 n ILE 264 Cb 0.57 1.52 -0.02 0.00 -1.74 0.00 0.00 39.64 39.98 1s77 n ILE 264 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1s77 n SER 265 N 0.00 3.79 -4.72 7.28 3.41 -1.26 -5.09 113.62 117.04 1s77 n SER 265 Ca 0.00 -3.52 -0.38 0.00 -0.26 0.00 0.00 58.87 54.71 1s77 n SER 265 Cb 0.33 -0.54 0.06 0.00 -0.26 0.00 0.00 64.21 63.80 1s77 n SER 265 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1s77 n PRO 266 N -0.23 1.33 -2.77 4.33 -0.04 -1.26 -4.50 135.00 131.87 1s77 n PRO 266 Ca 0.31 0.50 -0.44 0.00 -0.04 0.00 0.00 63.50 63.84 1s77 n PRO 266 Cb 0.54 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1s77 n PRO 266 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1s77 n MET 267 N -1.37 3.45 -1.54 0.54 2.81 -0.66 -4.88 117.12 115.46 1s77 n MET 267 Ca 0.13 -3.76 -0.46 0.00 -1.81 0.00 0.00 57.70 51.80 1s77 n MET 267 Cb 0.46 -3.01 -0.02 0.00 -0.71 0.00 0.00 33.22 29.94 1s77 n MET 267 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1s77 n PHE 268 N 5.12 0.82 -4.40 2.03 3.72 -1.26 -4.59 117.46 118.89 1s77 n PHE 268 Ca 0.38 0.77 -0.20 0.00 -0.05 0.00 0.00 57.45 58.35 1s77 n PHE 268 Cb 0.41 -2.18 -0.10 0.00 -0.94 0.00 0.00 39.48 36.67 1s77 n PHE 268 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1s77 s GLN 269 N -1.30 1.51 1.13 -1.08 -0.21 -1.26 -3.14 119.66 115.32 1s77 s GLN 269 Ca 0.62 -1.79 -0.13 0.00 0.02 0.00 0.00 55.36 54.08 1s77 s GLN 269 Cb -0.78 -0.90 0.26 0.00 1.00 0.00 0.00 33.01 32.59 1s77 s GLN 269 CO 0.58 -0.07 1.05 -1.25 -2.12 0.00 0.00 175.29 173.48 1s77 s PRO 270 N -3.82 -0.65 0.09 2.91 0.04 -1.26 -4.76 135.00 127.56 1s77 s PRO 270 Ca 0.31 0.62 0.03 0.00 0.04 0.00 0.00 61.00 62.00 1s77 s PRO 270 Cb 0.06 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.96 1s77 s PRO 270 CO 0.12 -3.48 0.11 0.00 0.04 0.00 0.00 177.00 173.78 1s77 n VAL 272 N 0.28 0.60 -3.87 0.00 0.24 -1.26 -0.70 118.33 113.62 1s77 n VAL 272 Ca -0.08 -0.72 -0.09 0.00 -2.04 0.00 0.00 64.34 61.42 1s77 n VAL 272 Cb 0.52 0.63 -0.07 0.00 -1.47 0.00 0.00 33.84 33.45 1s77 n VAL 272 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1s77 s VAL 273 N -1.40 0.14 0.48 3.34 -7.23 -1.26 -4.90 120.40 109.57 1s77 s VAL 273 Ca 0.39 -1.21 -0.22 0.00 -1.81 0.00 0.00 61.98 59.12 1s77 s VAL 273 Cb 0.21 -1.36 -0.09 0.00 0.56 0.00 0.00 36.38 35.70 1s77 s VAL 273 CO 0.29 -0.65 0.97 -2.65 -0.31 0.00 0.00 175.10 172.74 1s77 n PRO 274 N -0.06 1.19 -1.03 4.82 -0.02 -1.26 -4.63 135.00 134.01 1s77 n PRO 274 Ca -0.15 0.43 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 1s77 n PRO 274 Cb 0.62 -2.06 0.13 0.00 -0.02 0.00 0.00 33.50 32.18 1s77 n PRO 274 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1s77 s PRO 275 N -2.22 1.54 -0.12 0.52 0.02 -1.26 -4.91 135.00 128.57 1s77 s PRO 275 Ca 0.67 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 63.04 1s77 s PRO 275 Cb -0.51 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 1s77 s PRO 275 CO 0.54 -2.26 1.55 0.21 -0.33 0.00 0.00 177.00 176.71 1s77 s LYS 276 N -4.33 4.10 0.54 5.54 2.36 0.17 -4.84 119.74 123.28 1s77 s LYS 276 Ca 0.70 1.94 -0.21 0.00 -2.55 0.00 0.00 55.97 55.85 1s77 s LYS 276 Cb -0.26 -3.94 -0.06 0.00 -1.05 0.00 0.00 37.83 32.52 1s77 s LYS 276 CO 0.53 -0.92 1.16 -2.30 1.55 0.00 0.00 175.35 175.37 1s77 n PRO 277 N 7.12 1.35 -3.13 4.03 -0.02 -1.26 -0.49 135.00 142.62 1s77 n PRO 277 Ca 0.17 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.76 1s77 n PRO 277 Cb 0.44 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 1s77 n PRO 277 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1s77 s TRP 278 N -1.36 3.73 -0.02 6.00 0.52 -1.26 -4.68 118.94 121.87 1s77 s TRP 278 Ca 0.72 1.33 0.04 0.00 0.02 0.00 0.00 56.10 58.20 1s77 s TRP 278 Cb -0.44 -2.68 0.07 0.00 -1.15 0.00 0.00 33.47 29.27 1s77 s TRP 278 CO 0.50 0.37 1.03 0.25 0.02 0.00 0.00 176.95 179.11 1s77 n THR 279 N 2.55 0.22 0.00 2.01 -2.24 -1.26 -4.97 114.28 110.60 1s77 n THR 279 Ca -0.06 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1s77 n THR 279 Cb 0.51 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1s77 n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s77 n GLY 280 N -0.12 -0.42 0.00 3.38 0.00 -1.26 -5.01 105.19 101.77 1s77 n GLY 280 Ca 0.02 -0.92 0.07 0.00 0.00 0.00 0.00 46.02 45.19 1s77 n GLY 280 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1s77 n ILE 281 N -0.00 0.73 -3.87 -0.61 -5.35 -1.26 -4.76 119.36 104.24 1s77 n ILE 281 Ca 0.00 0.18 -0.10 0.00 -0.27 0.00 0.00 62.75 62.56 1s77 n ILE 281 Cb 0.00 -0.93 -0.08 0.00 -1.74 0.00 0.00 39.64 36.89 1s77 n ILE 281 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1s77 s THR 282 N -2.73 0.12 0.00 7.28 -4.23 -1.26 -0.13 115.64 114.69 1s77 s THR 282 Ca 0.12 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1s77 s THR 282 Cb 0.10 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.91 1s77 s THR 282 CO 0.25 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1s77 n GLY 283 N 0.50 0.59 3.99 3.99 0.00 0.86 -4.85 105.19 110.28 1s77 n GLY 283 Ca -0.18 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 1s77 n GLY 283 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s77 s GLY 284 N -2.67 1.92 0.00 -0.02 0.00 -1.26 -4.78 107.32 100.50 1s77 s GLY 284 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.84 1s77 s GLY 284 CO 0.00 -1.69 0.00 0.61 0.00 0.00 0.00 173.10 172.02 1s77 n GLY 285 N -2.02 1.79 3.86 0.20 0.00 0.36 -4.55 105.19 104.83 1s77 n GLY 285 Ca 0.10 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1s77 n GLY 285 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s77 s TYR 286 N 0.00 3.39 -0.03 1.61 1.51 -1.26 0.41 117.35 122.98 1s77 s TYR 286 Ca 0.00 1.10 -0.11 0.00 -1.01 0.00 0.00 57.07 57.05 1s77 s TYR 286 Cb 0.00 -2.44 -0.31 0.00 -0.11 0.00 0.00 41.96 39.10 1s77 s TYR 286 CO 0.00 0.14 0.72 -1.49 -1.11 0.00 0.00 175.55 173.81 1s77 h TRP 287 N 2.28 0.74 -2.00 2.71 4.06 -1.92 -3.44 115.95 118.40 1s77 h TRP 287 Ca -0.47 -0.54 -0.62 0.00 2.06 0.00 0.00 58.89 59.31 1s77 h TRP 287 Cb 1.17 -0.03 0.02 0.00 -1.00 0.00 0.00 29.16 29.32 1s77 h TRP 287 CO 0.62 1.65 1.08 0.00 -3.56 0.00 0.00 178.44 178.22 1s77 n ALA 288 N -2.83 0.80 -2.48 1.49 0.00 -1.26 -4.79 120.51 111.44 1s77 n ALA 288 Ca -0.23 0.30 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 1s77 n ALA 288 Cb 1.08 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 1s77 n ALA 288 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1s77 s ASN 289 N 3.96 6.04 0.47 0.00 0.01 -1.26 -4.99 114.94 119.18 1s77 s ASN 289 Ca 0.93 -0.35 0.08 0.00 -0.71 0.00 0.00 52.86 52.80 1s77 s ASN 289 Cb -0.72 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 38.40 1s77 s ASN 289 CO 0.52 -1.91 0.54 -0.83 -1.51 0.00 0.00 177.10 173.92 1s77 s GLY 290 N 4.32 2.01 0.42 0.66 0.00 -1.26 -5.01 107.32 108.46 1s77 s GLY 290 Ca 0.39 -1.80 0.08 0.00 0.00 0.00 0.00 44.72 43.39 1s77 s GLY 290 CO 0.16 -1.66 2.06 3.21 0.00 0.00 0.00 173.10 176.87 1s77 h ARG 291 N 0.66 0.47 -3.23 2.90 3.08 -1.98 -3.28 114.38 113.01 1s77 h ARG 291 Ca -0.38 -0.03 -0.63 0.00 0.07 0.00 0.00 59.98 59.01 1s77 h ARG 291 Cb 1.28 -0.10 -0.41 0.00 0.08 0.00 0.00 29.97 30.81 1s77 h ARG 291 CO 0.49 0.32 -0.61 1.03 -1.07 0.00 0.00 179.97 180.14 1s77 s ARG 292 N -5.41 2.16 0.76 0.04 1.81 -1.26 -5.10 118.95 111.94 1s77 s ARG 292 Ca -0.08 -2.92 -0.13 0.00 -1.72 0.00 0.00 55.73 50.88 1s77 s ARG 292 Cb 0.17 -3.32 0.19 0.00 -0.45 0.00 0.00 34.95 31.55 1s77 s ARG 292 CO 0.73 -1.19 0.64 -0.35 -0.68 0.00 0.00 175.30 174.44 1s77 n PRO 293 N 2.61 -2.47 -3.37 3.54 -0.04 -1.24 -5.01 135.00 129.02 1s77 n PRO 293 Ca 0.12 -1.03 -0.35 0.00 -0.04 0.00 0.00 63.50 62.19 1s77 n PRO 293 Cb 0.34 -1.00 -0.06 0.00 -0.04 0.00 0.00 33.50 32.74 1s77 n PRO 293 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1s77 s LEU 294 N 0.00 4.34 0.06 1.53 2.96 -1.26 -4.79 118.68 121.52 1s77 s LEU 294 Ca 0.42 1.06 0.00 0.00 -0.22 0.00 0.00 54.13 55.40 1s77 s LEU 294 Cb -0.05 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 1s77 s LEU 294 CO 0.33 0.11 0.20 0.00 -1.32 0.00 0.00 176.35 175.67 1s77 s ALA 295 N -1.45 3.96 -0.04 5.97 0.00 -1.26 -0.10 121.76 128.84 1s77 s ALA 295 Ca 0.37 -0.86 -0.26 0.00 0.00 0.00 0.00 51.96 51.21 1s77 s ALA 295 Cb -0.15 -1.79 -0.21 0.00 0.00 0.00 0.00 23.12 20.98 1s77 s ALA 295 CO 0.19 0.82 1.15 1.25 0.00 0.00 0.00 175.76 179.16 1s77 h LEU 296 N 3.08 -0.03 -9.76 0.00 5.85 -0.82 -3.44 115.31 110.19 1s77 h LEU 296 Ca -0.45 -0.54 -0.64 0.00 0.84 0.00 0.00 57.88 57.09 1s77 h LEU 296 Cb 1.16 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 1s77 h LEU 296 CO 0.75 0.53 -0.50 -0.69 -0.34 0.00 0.00 178.44 178.19 1s77 s VAL 297 N -3.87 5.33 -1.20 1.05 1.01 -1.26 0.06 120.40 121.53 1s77 s VAL 297 Ca -0.16 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1s77 s VAL 297 Cb 0.01 -3.48 0.22 0.00 0.00 0.00 0.00 36.38 33.13 1s77 s VAL 297 CO 0.65 0.34 1.64 0.54 0.00 0.00 0.00 175.10 178.28 1s77 n ARG 298 N 1.03 3.85 -2.31 2.72 1.74 0.44 -4.89 116.66 119.25 1s77 n ARG 298 Ca -0.12 -3.96 -0.32 0.00 -0.77 0.00 0.00 57.85 52.69 1s77 n ARG 298 Cb 0.53 -2.78 -0.02 0.00 -1.02 0.00 0.00 32.46 29.16 1s77 n ARG 298 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1s77 s THR 299 N -0.57 4.58 -0.05 0.55 -4.23 -1.26 -4.06 115.64 110.60 1s77 s THR 299 Ca 0.37 1.11 0.13 0.00 -1.18 0.00 0.00 61.69 62.12 1s77 s THR 299 Cb 0.05 -3.75 -0.21 0.00 1.34 0.00 0.00 72.50 69.93 1s77 s THR 299 CO 0.03 -0.78 0.73 0.45 -0.54 0.00 0.00 174.62 174.51 1s77 h HIS 300 N 0.66 0.00 -4.30 3.99 -0.00 -1.99 -3.47 115.15 110.05 1s77 h HIS 300 Ca -0.46 0.00 -0.69 0.00 -0.00 0.00 0.00 60.37 59.21 1s77 h HIS 300 Cb 1.19 0.00 -0.30 0.00 -0.00 0.00 0.00 27.41 28.30 1s77 h HIS 300 CO 0.64 0.92 -0.87 -1.54 -0.00 0.00 0.00 177.93 177.08 1s77 s SER 301 N -6.07 3.18 0.38 2.45 1.04 -1.26 -5.00 113.70 108.41 1s77 s SER 301 Ca -0.04 -0.46 0.16 0.00 0.48 0.00 0.00 55.95 56.09 1s77 s SER 301 Cb 0.08 -0.61 1.03 0.00 0.10 0.00 0.00 66.02 66.62 1s77 s SER 301 CO 0.82 0.29 1.79 0.11 0.98 0.00 0.00 173.24 177.23 1s77 h LYS 302 N 5.72 0.46 -0.95 4.02 1.57 -1.99 0.60 116.57 126.00 1s77 h LYS 302 Ca -0.39 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1s77 h LYS 302 Cb 1.15 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.31 1s77 h LYS 302 CO 0.48 0.30 0.63 0.87 -0.57 0.00 0.00 179.45 181.15 1s77 h LYS 303 N 0.47 1.26 0.50 3.15 6.56 -1.97 1.06 116.57 127.60 1s77 h LYS 303 Ca 0.57 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 60.06 1s77 h LYS 303 Cb 1.33 -0.28 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 1s77 h LYS 303 CO -0.30 0.83 -0.24 0.00 -2.06 0.00 0.00 179.45 177.69 1s77 h ALA 304 N 1.40 -0.67 -0.36 3.86 0.00 -0.24 -2.63 119.26 120.62 1s77 h ALA 304 Ca 0.35 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1s77 h ALA 304 Cb -0.14 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1s77 h ALA 304 CO -0.07 -0.74 -0.13 1.25 0.00 0.00 0.00 179.25 179.55 1s77 h LEU 305 N -0.95 -0.47 -2.05 0.00 5.85 -0.89 0.13 115.31 116.94 1s77 h LEU 305 Ca -0.07 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1s77 h LEU 305 Cb 0.60 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1s77 h LEU 305 CO 0.11 -0.17 0.19 -0.03 -0.34 0.00 0.00 178.44 178.20 1s77 h MET 306 N -0.06 0.00 -0.29 1.25 4.05 0.12 -0.24 114.93 119.76 1s77 h MET 306 Ca 0.18 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.52 1s77 h MET 306 Cb 0.33 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1s77 h MET 306 CO -0.41 0.00 -0.17 -0.09 0.23 0.00 0.00 176.91 176.47 1s77 h ARG 307 N 0.00 0.52 0.00 0.39 2.43 -0.34 -1.81 114.38 115.56 1s77 h ARG 307 Ca 0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1s77 h ARG 307 Cb 0.37 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1s77 h ARG 307 CO 0.00 0.67 0.00 0.66 -1.51 0.00 0.00 179.97 179.79 1s77 n TYR 308 N -4.17 0.60 -0.55 2.20 4.02 -0.10 -4.22 117.16 114.94 1s77 n TYR 308 Ca 0.00 0.18 0.41 0.00 -0.01 0.00 0.00 57.90 58.49 1s77 n TYR 308 Cb 0.36 -0.79 0.64 0.00 -0.02 0.00 0.00 39.34 39.53 1s77 n TYR 308 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1s77 n GLU 309 N -2.00 -0.00 0.00 -0.72 4.07 -0.68 -1.20 120.64 120.11 1s77 n GLU 309 Ca 0.06 0.88 0.00 0.00 -0.06 0.00 0.00 57.16 58.04 1s77 n GLU 309 Cb 0.38 -2.00 0.00 0.00 -0.06 0.00 0.00 31.44 29.77 1s77 n GLU 309 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1s77 n ASP 310 N -3.63 0.54 -4.70 4.31 8.00 -1.26 -4.89 116.55 114.92 1s77 n ASP 310 Ca 0.35 -1.25 -0.42 0.00 0.71 0.00 0.00 54.79 54.18 1s77 n ASP 310 Cb 1.57 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.64 1s77 n ASP 310 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s77 s VAL 311 N -0.25 3.19 -0.43 2.53 1.01 -0.34 -4.97 120.40 121.15 1s77 s VAL 311 Ca 0.00 0.75 -0.26 0.00 0.00 0.00 0.00 61.98 62.47 1s77 s VAL 311 Cb 0.00 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1s77 s VAL 311 CO 0.00 0.03 0.96 -0.47 0.00 0.00 0.00 175.10 175.62 1s77 s TYR 312 N 1.84 2.96 -0.40 5.22 5.04 -1.26 -4.88 117.35 125.87 1s77 s TYR 312 Ca 0.68 0.59 0.10 0.00 -2.44 0.00 0.00 57.07 56.00 1s77 s TYR 312 Cb -0.38 -3.93 0.35 0.00 0.35 0.00 0.00 41.96 38.36 1s77 s TYR 312 CO 0.30 -1.02 0.95 0.00 -1.34 0.00 0.00 175.55 174.43 1s77 n MET 313 N 7.13 1.02 -0.29 4.97 0.00 -1.26 -4.97 117.12 123.72 1s77 n MET 313 Ca 0.08 -2.70 0.10 0.00 0.00 0.00 0.00 57.70 55.18 1s77 n MET 313 Cb 0.48 -1.28 0.26 0.00 0.00 0.00 0.00 33.22 32.69 1s77 n MET 313 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1s77 h PRO 314 N 2.92 0.37 0.00 3.17 0.13 -1.90 -0.25 132.00 136.45 1s77 h PRO 314 Ca -0.02 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1s77 h PRO 314 Cb 1.06 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1s77 h PRO 314 CO 0.32 0.24 -0.10 1.49 -0.23 0.00 0.00 178.00 179.72 1s77 h GLU 315 N 0.38 0.00 0.21 0.86 4.57 -1.94 -1.48 114.58 117.17 1s77 h GLU 315 Ca 0.51 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.37 1s77 h GLU 315 Cb 0.92 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.54 1s77 h GLU 315 CO -0.51 0.10 -1.41 0.28 -1.18 0.00 0.00 179.01 176.29 1s77 h VAL 316 N 0.00 1.35 -0.07 0.32 2.07 -1.20 -3.00 116.25 115.71 1s77 h VAL 316 Ca -0.00 -2.83 -0.13 0.00 0.82 0.00 0.00 66.70 64.56 1s77 h VAL 316 Cb 0.26 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1s77 h VAL 316 CO 0.01 0.84 -0.53 1.88 0.02 0.00 0.00 177.57 179.80 1s77 h TYR 317 N 0.12 0.26 -0.43 1.57 -1.99 -1.27 -2.77 116.97 112.46 1s77 h TYR 317 Ca -0.22 -0.09 -0.05 0.00 2.00 0.00 0.00 58.73 60.37 1s77 h TYR 317 Cb 2.10 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 40.76 1s77 h TYR 317 CO 0.10 0.70 0.06 -0.22 -0.00 0.00 0.00 178.16 178.80 1s77 h LYS 318 N 0.16 0.72 0.43 4.88 3.64 -1.33 -1.53 116.57 123.54 1s77 h LYS 318 Ca 0.00 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1s77 h LYS 318 Cb 0.99 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1s77 h LYS 318 CO 0.08 0.76 -0.21 0.00 -2.27 0.00 0.00 179.45 177.82 1s77 h ALA 319 N 0.93 -0.58 -0.88 5.00 0.00 -1.37 0.12 119.26 122.48 1s77 h ALA 319 Ca 0.13 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1s77 h ALA 319 Cb 0.40 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1s77 h ALA 319 CO 0.01 -0.74 0.57 0.82 0.00 0.00 0.00 179.25 179.91 1s77 h ILE 320 N -0.74 0.92 0.03 0.00 1.08 -1.50 0.28 117.51 117.59 1s77 h ILE 320 Ca -0.06 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1s77 h ILE 320 Cb 0.52 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1s77 h ILE 320 CO 0.10 0.15 -0.01 0.78 -0.69 0.00 0.00 178.15 178.47 1s77 h ASN 321 N 0.81 -0.03 -0.35 1.72 -0.26 -1.15 -1.68 115.58 114.64 1s77 h ASN 321 Ca 0.42 -0.57 0.06 0.00 -0.56 0.00 0.00 56.30 55.65 1s77 h ASN 321 Cb 0.51 0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.72 1s77 h ASN 321 CO -0.18 0.57 -0.01 0.40 -1.06 0.00 0.00 177.43 177.14 1s77 h ILE 322 N -0.65 0.73 0.16 2.81 2.04 -0.28 -1.34 117.51 120.97 1s77 h ILE 322 Ca -0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1s77 h ILE 322 Cb 0.60 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1s77 h ILE 322 CO 0.01 0.01 -0.15 0.00 0.00 0.00 0.00 178.15 178.02 1s77 h ALA 323 N 1.31 -0.31 0.00 1.87 0.00 -0.51 -2.45 119.26 119.17 1s77 h ALA 323 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1s77 h ALA 323 Cb 0.24 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1s77 h ALA 323 CO -0.30 -0.70 0.00 0.00 0.00 0.00 0.00 179.25 178.26 1s77 n GLN 324 N -5.28 0.04 -0.25 0.00 10.64 -0.63 -1.72 117.38 120.18 1s77 n GLN 324 Ca -0.08 0.34 0.05 0.00 -1.83 0.00 0.00 57.00 55.48 1s77 n GLN 324 Cb 0.19 -1.58 0.16 0.00 -0.86 0.00 0.00 30.24 28.16 1s77 n GLN 324 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1s77 n ASN 325 N -1.66 2.27 -4.67 2.61 5.03 -0.55 -4.29 115.26 114.00 1s77 n ASN 325 Ca 0.02 -2.13 -0.42 0.00 0.87 0.00 0.00 54.58 52.92 1s77 n ASN 325 Cb 0.15 -0.34 -0.03 0.00 -1.02 0.00 0.00 39.78 38.54 1s77 n ASN 325 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1s77 s THR 326 N -1.62 4.76 0.05 3.41 2.01 -0.70 -4.98 115.64 118.56 1s77 s THR 326 Ca 0.24 1.95 -0.26 0.00 0.31 0.00 0.00 61.69 63.93 1s77 s THR 326 Cb 0.14 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 1s77 s THR 326 CO 0.13 -0.07 0.80 0.00 -0.69 0.00 0.00 174.62 174.79 1s77 s ALA 327 N 2.58 3.34 0.21 7.40 0.00 -1.26 -4.59 121.76 129.44 1s77 s ALA 327 Ca 0.44 0.33 0.09 0.00 0.00 0.00 0.00 51.96 52.82 1s77 s ALA 327 Cb -0.16 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1s77 s ALA 327 CO 0.11 0.03 -0.17 -1.58 0.00 0.00 0.00 175.76 174.15 1s77 s TRP 328 N 0.06 1.92 0.09 0.00 0.52 0.43 -1.19 118.94 120.76 1s77 s TRP 328 Ca 0.40 -0.47 0.01 0.00 0.02 0.00 0.00 56.10 56.06 1s77 s TRP 328 Cb -0.21 -0.89 -0.04 0.00 -1.15 0.00 0.00 33.47 31.18 1s77 s TRP 328 CO 0.24 0.45 -0.06 -1.59 0.02 0.00 0.00 176.95 176.01 1s77 s LYS 329 N -3.35 0.80 0.37 4.98 -2.85 0.11 0.16 119.74 119.96 1s77 s LYS 329 Ca 0.23 -1.32 -0.24 0.00 -1.00 0.00 0.00 55.97 53.64 1s77 s LYS 329 Cb -0.03 -0.15 -0.10 0.00 -2.06 0.00 0.00 37.83 35.49 1s77 s LYS 329 CO 0.09 -0.03 0.97 0.42 0.10 0.00 0.00 175.35 176.90 1s77 s ILE 330 N -3.67 4.15 -0.96 3.79 -1.09 -1.26 -1.39 121.20 120.77 1s77 s ILE 330 Ca 0.11 1.62 -0.19 0.00 -2.23 0.00 0.00 60.65 59.96 1s77 s ILE 330 Cb 0.06 -3.82 0.13 0.00 -1.58 0.00 0.00 42.46 37.25 1s77 s ILE 330 CO -0.06 -0.02 1.18 0.21 -1.23 0.00 0.00 174.94 175.02 1s77 s ASN 331 N -1.77 6.66 0.32 3.58 3.84 0.17 -4.79 114.94 122.95 1s77 s ASN 331 Ca 0.55 -2.09 0.09 0.00 0.21 0.00 0.00 52.86 51.62 1s77 s ASN 331 Cb -0.17 -2.41 0.94 0.00 -0.55 0.00 0.00 41.25 39.06 1s77 s ASN 331 CO 0.21 -1.07 1.62 0.11 -2.79 0.00 0.00 177.10 175.19 1s77 h LYS 332 N 8.75 0.15 -0.25 0.43 1.79 -1.93 0.21 116.57 125.72 1s77 h LYS 332 Ca 0.18 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.57 1s77 h LYS 332 Cb 1.01 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 1s77 h LYS 332 CO 1.14 0.10 -0.12 0.87 -1.08 0.00 0.00 179.45 180.36 1s77 h LYS 333 N 0.15 0.52 -0.30 3.15 1.79 -1.98 0.56 116.57 120.47 1s77 h LYS 333 Ca 0.67 -0.23 -0.08 0.00 -2.18 0.00 0.00 60.65 58.83 1s77 h LYS 333 Cb 1.51 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 32.12 1s77 h LYS 333 CO -0.72 0.78 -0.15 0.28 -1.08 0.00 0.00 179.45 178.56 1s77 h VAL 334 N 0.24 1.24 -0.47 0.50 2.07 -1.56 -2.10 116.25 116.17 1s77 h VAL 334 Ca 0.06 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 1s77 h VAL 334 Cb 0.62 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1s77 h VAL 334 CO 0.04 0.35 0.13 0.25 0.02 0.00 0.00 177.57 178.36 1s77 h LEU 335 N 0.48 0.70 -0.34 2.57 5.85 -0.85 -0.06 115.31 123.65 1s77 h LEU 335 Ca 0.08 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.66 1s77 h LEU 335 Cb 0.54 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 1s77 h LEU 335 CO 0.03 0.73 -0.24 0.00 -0.34 0.00 0.00 178.44 178.63 1s77 h ALA 336 N 0.99 -0.03 -0.09 1.25 0.00 -0.22 0.15 119.26 121.30 1s77 h ALA 336 Ca 0.15 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1s77 h ALA 336 Cb 0.30 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1s77 h ALA 336 CO -0.00 -0.63 -0.38 -0.39 0.00 0.00 0.00 179.25 177.85 1s77 h VAL 337 N -0.19 1.39 -0.79 0.00 -1.51 -1.26 -3.26 116.25 110.63 1s77 h VAL 337 Ca 0.17 -1.74 0.12 0.00 -1.23 0.00 0.00 66.70 64.02 1s77 h VAL 337 Cb 0.46 2.23 -0.06 0.00 -2.13 0.00 0.00 31.29 31.79 1s77 h VAL 337 CO -0.46 0.51 0.52 0.00 -1.23 0.00 0.00 177.57 176.91 1s77 h ALA 338 N 0.46 1.87 -0.11 5.19 0.00 -0.66 -1.09 119.26 124.92 1s77 h ALA 338 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s77 h ALA 338 Cb 1.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1s77 h ALA 338 CO 0.08 -0.05 0.06 -0.91 0.00 0.00 0.00 179.25 178.43 1s77 h ASN 339 N 0.63 0.14 0.09 0.00 -0.26 -0.74 -3.09 115.58 112.34 1s77 h ASN 339 Ca 0.38 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 56.04 1s77 h ASN 339 Cb 0.59 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1s77 h ASN 339 CO -0.14 0.17 -0.04 -0.37 -1.06 0.00 0.00 177.43 175.99 1s77 h VAL 340 N 0.09 0.00 -1.47 2.81 -1.51 -1.54 -3.37 116.25 111.25 1s77 h VAL 340 Ca 0.04 -0.28 0.43 0.00 -1.23 0.00 0.00 66.70 65.65 1s77 h VAL 340 Cb 0.07 0.00 -0.06 0.00 -2.13 0.00 0.00 31.29 29.17 1s77 h VAL 340 CO -0.01 0.00 1.15 -0.29 -1.23 0.00 0.00 177.57 177.20 1s77 h ILE 341 N -0.40 0.15 0.00 7.19 2.10 -1.36 1.05 117.51 126.24 1s77 h ILE 341 Ca -0.01 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1s77 h ILE 341 Cb 0.09 0.17 0.00 0.00 -1.09 0.00 0.00 36.82 35.99 1s77 h ILE 341 CO 0.02 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.44 1s77 n THR 342 N -3.87 0.49 -0.05 2.19 -2.24 -1.17 -2.94 114.28 106.70 1s77 n THR 342 Ca 0.33 0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 62.05 1s77 n THR 342 Cb 1.61 -0.74 -0.15 0.00 -2.10 0.00 0.00 70.33 68.96 1s77 n THR 342 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1s77 n LYS 343 N -1.74 0.66 -1.48 -0.78 5.02 0.36 -4.65 118.16 115.54 1s77 n LYS 343 Ca 0.05 0.20 -0.54 0.00 -2.02 0.00 0.00 58.31 56.00 1s77 n LYS 343 Cb 0.30 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 1s77 n LYS 343 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1s77 n TRP 344 N -2.98 0.36 0.06 2.13 7.02 -1.15 -4.80 117.44 118.08 1s77 n TRP 344 Ca -0.23 0.97 -0.11 0.00 -1.02 0.00 0.00 57.50 57.11 1s77 n TRP 344 Cb 1.08 -2.08 -0.07 0.00 -2.42 0.00 0.00 31.31 27.83 1s77 n TRP 344 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 1s77 h LYS 345 N 2.39 -0.46 -4.11 -0.99 3.64 -1.93 -3.27 116.57 111.84 1s77 h LYS 345 Ca -0.42 0.03 -0.76 0.00 -1.27 0.00 0.00 60.65 58.23 1s77 h LYS 345 Cb 1.42 0.10 -0.24 0.00 -0.41 0.00 0.00 32.23 33.10 1s77 h LYS 345 CO 0.63 -0.30 -0.05 -1.01 -2.27 0.00 0.00 179.45 176.45 1s77 s HIS 346 N -4.82 3.38 0.31 1.91 3.76 -1.26 -4.75 115.29 113.82 1s77 s HIS 346 Ca -0.11 -1.48 -0.28 0.00 -0.15 0.00 0.00 55.06 53.04 1s77 s HIS 346 Cb 0.04 -3.85 -0.09 0.00 1.11 0.00 0.00 32.58 29.79 1s77 s HIS 346 CO 0.40 -1.06 1.12 0.00 -0.85 0.00 0.00 174.74 174.36 1s77 n PRO 348 N 0.92 0.03 -2.55 0.00 -0.04 -1.26 -4.75 135.00 127.35 1s77 n PRO 348 Ca 0.00 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.05 1s77 n PRO 348 Cb 0.45 -1.53 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1s77 n PRO 348 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1s77 s VAL 349 N -3.01 4.42 0.00 0.52 1.01 -1.26 -4.40 120.40 117.68 1s77 s VAL 349 Ca 0.14 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1s77 s VAL 349 Cb 0.18 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1s77 s VAL 349 CO 0.54 -0.33 0.00 -0.62 0.00 0.00 0.00 175.10 174.70 1s77 n GLU 350 N 6.78 0.00 -3.54 2.72 1.02 -1.24 -3.27 120.64 123.10 1s77 n GLU 350 Ca 0.13 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.90 1s77 n GLU 350 Cb 0.46 -0.02 -0.05 0.00 -0.02 0.00 0.00 31.44 31.81 1s77 n GLU 350 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1s77 n ASP 351 N -0.18 4.51 -4.23 1.62 -0.08 -1.26 -5.01 116.55 111.92 1s77 n ASP 351 Ca 0.00 -3.16 -0.33 0.00 -1.51 0.00 0.00 54.79 49.78 1s77 n ASP 351 Cb 0.00 -1.08 -0.15 0.00 2.34 0.00 0.00 41.12 42.22 1s77 n ASP 351 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1s77 s ILE 352 N -1.56 2.53 -0.08 5.18 -1.09 -1.20 -5.07 121.20 119.91 1s77 s ILE 352 Ca 0.29 -0.81 -0.33 0.00 -2.23 0.00 0.00 60.65 57.57 1s77 s ILE 352 Cb -0.05 -2.07 -0.11 0.00 -1.58 0.00 0.00 42.46 38.65 1s77 s ILE 352 CO -0.10 0.52 1.91 -0.81 -1.23 0.00 0.00 174.94 175.23 1s77 n PRO 353 N 4.20 2.26 -1.27 2.79 -0.04 -1.26 -4.93 135.00 136.74 1s77 n PRO 353 Ca -0.19 0.82 -0.32 0.00 -0.04 0.00 0.00 63.50 63.77 1s77 n PRO 353 Cb 0.51 -2.71 0.10 0.00 -0.04 0.00 0.00 33.50 31.36 1s77 n PRO 353 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s77 s ALA 354 N 4.31 2.17 0.05 0.55 0.00 -1.26 -4.90 121.76 122.68 1s77 s ALA 354 Ca 0.93 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 53.09 1s77 s ALA 354 Cb -0.65 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.06 1s77 s ALA 354 CO 0.50 -1.84 1.31 0.82 0.00 0.00 0.00 175.76 176.55 1s77 h ILE 355 N -1.00 0.00 -5.31 0.00 1.08 -1.85 -3.46 117.51 106.97 1s77 h ILE 355 Ca -0.44 0.00 -0.26 0.00 -0.39 0.00 0.00 64.86 63.77 1s77 h ILE 355 Cb 1.24 0.00 0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1s77 h ILE 355 CO 0.50 0.00 -0.03 -1.84 -0.69 0.00 0.00 178.15 176.10 1s77 n GLU 356 N -4.08 0.73 0.00 2.37 0.00 -1.26 -5.05 120.64 113.35 1s77 n GLU 356 Ca -0.06 -1.66 0.00 0.00 0.00 0.00 0.00 57.16 55.44 1s77 n GLU 356 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 31.44 31.53 1s77 n GLU 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1s77 n ARG 357 N -1.71 3.78 -0.77 3.44 1.74 -1.26 -5.03 116.66 116.84 1s77 n ARG 357 Ca 0.09 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.20 1s77 n ARG 357 Cb 0.32 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.81 1s77 n ARG 357 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1s77 n GLU 358 N 0.00 0.35 -3.02 5.56 0.00 -1.26 -5.09 120.64 117.18 1s77 n GLU 358 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 57.16 55.37 1s77 n GLU 358 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 31.44 30.84 1s77 n GLU 358 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1s77 n GLU 359 N -0.16 -0.55 -1.61 3.44 4.71 -1.26 -4.75 120.64 120.46 1s77 n GLU 359 Ca 0.06 0.86 0.00 0.00 -0.01 0.00 0.00 57.16 58.08 1s77 n GLU 359 Cb 0.84 -0.88 0.00 0.00 -1.01 0.00 0.00 31.44 30.39 1s77 n GLU 359 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1s77 n LEU 360 N 1.63 -2.73 0.00 -4.62 4.77 -1.26 -5.26 117.00 109.52 1s77 n LEU 360 Ca 0.00 2.14 0.00 0.00 -0.03 0.00 0.00 56.01 58.12 1s77 n LEU 360 Cb 0.33 -2.52 0.00 0.00 -2.33 0.00 0.00 43.42 38.89 1s77 n LEU 360 CO 0.00 -0.11 0.00 -2.65 -1.33 0.00 0.00 177.39 173.30 1s77 n PRO 361 N -0.06 0.00 0.00 3.23 -0.02 -1.26 -5.14 135.00 131.75 1s77 n PRO 361 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1s77 n PRO 361 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1s77 n PRO 361 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1s77 n TRP 377 N 0.00 0.00 0.00 6.00 8.01 -1.26 -4.78 117.44 125.41 1s77 n TRP 377 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1s77 n TRP 377 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1s77 n TRP 377 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1s77 n LYS 378 N 0.00 0.00 0.00 -0.99 0.00 -1.26 -2.64 118.16 113.27 1s77 n LYS 378 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1s77 n LYS 378 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1s77 n LYS 378 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1s77 n ARG 379 N 0.00 0.00 0.00 1.64 3.00 -1.26 -2.04 116.66 118.00 1s77 n ARG 379 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.98 1s77 n ARG 379 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 32.46 32.91 1s77 n ARG 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s77 n ALA 380 N -3.00 2.85 -1.85 5.13 0.00 -1.08 -3.87 120.51 118.69 1s77 n ALA 380 Ca 0.00 -0.42 -0.32 0.00 0.00 0.00 0.00 53.44 52.70 1s77 n ALA 380 Cb 0.00 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 18.34 1s77 n ALA 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s77 n ALA 381 N -0.30 5.84 -0.18 0.00 0.00 -1.17 -4.26 120.51 120.44 1s77 n ALA 381 Ca 0.15 -3.86 0.00 0.00 0.00 0.00 0.00 53.44 49.73 1s77 n ALA 381 Cb 0.35 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1s77 n ALA 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s77 n ALA 382 N -0.70 1.95 0.15 0.00 0.00 -0.87 -4.48 120.51 116.58 1s77 n ALA 382 Ca 0.52 -0.63 0.02 0.00 0.00 0.00 0.00 53.44 53.35 1s77 n ALA 382 Cb 0.63 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.18 1s77 n ALA 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s77 n ALA 383 N -0.18 1.21 -0.26 0.00 0.00 -1.26 -3.02 120.51 116.99 1s77 n ALA 383 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.47 1s77 n ALA 383 Cb 0.15 -1.07 0.14 0.00 0.00 0.00 0.00 19.45 18.67 1s77 n ALA 383 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1s77 h VAL 384 N 0.00 0.28 -0.89 0.00 2.07 -1.93 1.22 116.25 117.00 1s77 h VAL 384 Ca 0.00 -0.02 0.26 0.00 0.82 0.00 0.00 66.70 67.76 1s77 h VAL 384 Cb 0.08 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1s77 h VAL 384 CO 0.00 0.01 0.77 1.88 0.02 0.00 0.00 177.57 180.25 1s77 h TYR 385 N 0.06 0.00 0.00 1.57 -1.99 -1.95 0.47 116.97 115.14 1s77 h TYR 385 Ca 0.41 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.13 1s77 h TYR 385 Cb 0.70 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.43 1s77 h TYR 385 CO -0.49 0.00 -0.16 -0.09 -0.00 0.00 0.00 178.16 177.42 1s77 h ARG 386 N 0.00 0.00 -0.88 4.88 9.65 0.12 -3.24 114.38 124.91 1s77 h ARG 386 Ca 0.42 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 59.35 1s77 h ARG 386 Cb 1.95 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 30.47 1s77 h ARG 386 CO -0.00 0.11 0.56 -0.22 2.80 0.00 0.00 179.97 183.22 1s77 h LYS 387 N -1.00 1.02 0.00 0.20 3.64 -0.14 -2.11 116.57 118.18 1s77 h LYS 387 Ca -0.01 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1s77 h LYS 387 Cb 0.24 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1s77 h LYS 387 CO -0.01 0.67 -0.29 0.22 -2.27 0.00 0.00 179.45 177.78 1s77 h ASP 388 N 1.05 0.00 0.04 4.20 1.82 -0.31 -1.96 116.42 121.26 1s77 h ASP 388 Ca 0.37 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.01 1s77 h ASP 388 Cb 0.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1s77 h ASP 388 CO -0.15 0.29 -0.02 0.50 -1.61 0.00 0.00 179.24 178.25 1s77 h LYS 389 N 0.00 -0.05 -0.09 0.28 1.63 -1.41 -1.10 116.57 115.82 1s77 h LYS 389 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1s77 h LYS 389 Cb 0.92 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.55 1s77 h LYS 389 CO 0.04 0.03 0.05 0.00 -3.45 0.00 0.00 179.45 176.12 1s77 h ALA 390 N 0.83 0.11 -0.02 5.00 0.00 -1.33 -2.84 119.26 121.02 1s77 h ALA 390 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1s77 h ALA 390 Cb 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1s77 h ALA 390 CO 0.01 -0.36 -0.29 -0.09 0.00 0.00 0.00 179.25 178.52 1s77 h ARG 391 N 0.07 -0.41 -0.46 0.00 2.43 -1.19 0.57 114.38 115.39 1s77 h ARG 391 Ca 0.03 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 1s77 h ARG 391 Cb 0.05 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1s77 h ARG 391 CO -0.01 -0.27 0.32 -0.22 -1.51 0.00 0.00 179.97 178.28 1s77 h LYS 392 N -0.42 0.22 0.11 0.20 3.11 -1.17 0.65 116.57 119.27 1s77 h LYS 392 Ca 0.07 -0.01 -0.31 0.00 -2.81 0.00 0.00 60.65 57.58 1s77 h LYS 392 Cb 0.52 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 1s77 h LYS 392 CO -0.26 0.15 -1.62 0.77 -2.81 0.00 0.00 179.45 175.68 1s77 h SER 393 N 0.23 0.35 0.45 4.20 0.02 -1.15 -2.39 113.55 115.27 1s77 h SER 393 Ca 0.21 -0.55 -0.08 0.00 -0.84 0.00 0.00 61.79 60.54 1s77 h SER 393 Cb 0.55 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1s77 h SER 393 CO -0.04 1.47 -0.37 -0.09 -1.14 0.00 0.00 176.83 176.65 1s77 h ARG 394 N 0.06 0.00 0.01 3.45 2.43 0.82 -2.59 114.38 118.56 1s77 h ARG 394 Ca -0.28 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.65 1s77 h ARG 394 Cb 2.02 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.58 1s77 h ARG 394 CO 0.14 0.37 -1.00 -0.09 -1.51 0.00 0.00 179.97 177.89 1s77 h ARG 395 N 0.00 0.50 -0.31 0.20 9.65 0.26 -3.03 114.38 121.64 1s77 h ARG 395 Ca -0.00 -0.55 0.04 0.00 -1.10 0.00 0.00 59.98 58.37 1s77 h ARG 395 Cb 0.70 0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 29.40 1s77 h ARG 395 CO 0.05 1.18 0.07 0.82 2.80 0.00 0.00 179.97 184.89 1s77 h ILE 396 N 0.27 0.85 -0.24 1.20 1.08 -1.02 -1.59 117.51 118.05 1s77 h ILE 396 Ca -0.10 -0.06 -0.11 0.00 -0.39 0.00 0.00 64.86 64.19 1s77 h ILE 396 Cb 1.64 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.04 1s77 h ILE 396 CO 0.18 0.03 -0.33 0.77 -0.69 0.00 0.00 178.15 178.11 1s77 h SER 397 N 0.18 0.54 -0.69 1.72 4.64 -1.62 -1.78 113.55 116.53 1s77 h SER 397 Ca 0.15 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 1s77 h SER 397 Cb 0.16 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1s77 h SER 397 CO -0.19 0.83 0.31 0.25 -0.87 0.00 0.00 176.83 177.16 1s77 h LEU 398 N 0.44 0.93 -0.68 5.97 6.46 -1.33 0.41 115.31 127.50 1s77 h LEU 398 Ca 0.05 -0.15 -0.13 0.00 -0.12 0.00 0.00 57.88 57.53 1s77 h LEU 398 Cb 0.79 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 1s77 h LEU 398 CO 0.06 0.82 -0.62 -0.33 -0.62 0.00 0.00 178.44 177.75 1s77 h GLU 399 N 0.97 0.00 -0.13 1.25 5.08 -1.12 -0.75 114.58 119.88 1s77 h GLU 399 Ca 0.24 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 1s77 h GLU 399 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1s77 h GLU 399 CO -0.03 0.62 -0.40 0.35 -1.00 0.00 0.00 179.01 178.56 1s77 h PHE 400 N 0.00 0.65 -0.63 4.33 3.04 -0.63 0.19 116.94 123.89 1s77 h PHE 400 Ca -0.01 -0.26 -0.04 0.00 3.98 0.00 0.00 57.97 61.64 1s77 h PHE 400 Cb 1.15 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.52 1s77 h PHE 400 CO 0.00 1.01 0.23 0.52 -2.02 0.00 0.00 178.31 178.05 1s77 h MET 401 N 0.10 0.95 -0.32 1.11 2.86 -0.15 -1.25 114.93 118.24 1s77 h MET 401 Ca -0.01 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.34 1s77 h MET 401 Cb 1.02 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 1s77 h MET 401 CO 0.08 0.82 -0.22 1.25 1.06 0.00 0.00 176.91 179.90 1s77 h LEU 402 N 0.89 0.61 -0.59 1.22 5.85 -1.09 -0.47 115.31 121.73 1s77 h LEU 402 Ca 0.21 -0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1s77 h LEU 402 Cb 0.24 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1s77 h LEU 402 CO -0.01 0.83 -0.47 -0.33 -0.34 0.00 0.00 178.44 178.12 1s77 h GLU 403 N 0.54 0.57 -0.36 1.25 3.07 -0.59 -1.85 114.58 117.21 1s77 h GLU 403 Ca 0.08 -0.32 -0.07 0.00 -0.50 0.00 0.00 59.36 58.54 1s77 h GLU 403 Cb 0.67 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1s77 h GLU 403 CO 0.05 0.92 -0.06 1.96 -1.40 0.00 0.00 179.01 180.48 1s77 h GLN 404 N 0.46 0.68 -0.26 2.33 1.08 -0.96 0.39 115.11 118.84 1s77 h GLN 404 Ca 0.03 -0.25 0.02 0.00 -1.45 0.00 0.00 58.65 57.00 1s77 h GLN 404 Cb 0.99 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.35 1s77 h GLN 404 CO 0.09 0.82 0.10 0.00 -0.95 0.00 0.00 178.83 178.89 1s77 h ALA 405 N 0.84 0.29 0.00 3.87 0.00 -0.93 -0.09 119.26 123.24 1s77 h ALA 405 Ca 0.10 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1s77 h ALA 405 Cb 0.55 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1s77 h ALA 405 CO 0.03 -0.31 -0.50 -0.91 0.00 0.00 0.00 179.25 177.56 1s77 h ASN 406 N 0.22 0.00 0.07 0.00 2.35 -1.23 -0.48 115.58 116.50 1s77 h ASN 406 Ca 0.11 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 1s77 h ASN 406 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1s77 h ASN 406 CO -0.11 0.50 -0.25 0.50 -1.65 0.00 0.00 177.43 176.43 1s77 h LYS 407 N 0.00 0.31 -0.38 0.81 3.64 -0.26 -3.16 116.57 117.53 1s77 h LYS 407 Ca -0.01 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1s77 h LYS 407 Cb 0.89 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1s77 h LYS 407 CO 0.07 0.54 0.00 1.19 -2.27 0.00 0.00 179.45 178.98 1s77 n PHE 408 N -4.15 0.50 -1.01 1.91 3.72 -0.11 -4.92 117.46 113.40 1s77 n PHE 408 Ca -0.01 -0.33 -0.30 0.00 -0.05 0.00 0.00 57.45 56.77 1s77 n PHE 408 Cb 0.37 -0.01 0.16 0.00 -0.94 0.00 0.00 39.48 39.07 1s77 n PHE 408 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s77 s ALA 409 N -1.17 1.15 0.00 4.37 0.00 -0.24 -2.97 121.76 122.89 1s77 s ALA 409 Ca 0.32 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1s77 s ALA 409 Cb 0.18 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1s77 s ALA 409 CO 0.25 -2.70 0.00 0.09 0.00 0.00 0.00 175.76 173.40 1s77 n ASN 410 N -4.13 0.00 -4.76 0.00 3.02 -1.26 -4.95 115.26 103.18 1s77 n ASN 410 Ca 0.07 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.21 1s77 n ASN 410 Cb 0.55 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 1s77 n ASN 410 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1s77 s HIS 411 N 0.00 3.10 0.54 3.10 3.76 -1.16 -4.86 115.29 119.76 1s77 s HIS 411 Ca 0.00 1.34 0.23 0.00 -0.15 0.00 0.00 55.06 56.48 1s77 s HIS 411 Cb 0.00 -3.67 1.40 0.00 1.11 0.00 0.00 32.58 31.42 1s77 s HIS 411 CO 0.00 -1.93 2.05 0.87 -0.85 0.00 0.00 174.74 174.88 1s77 h LYS 412 N 3.96 0.00 -1.78 1.40 1.79 -1.92 -3.44 116.57 116.58 1s77 h LYS 412 Ca -0.48 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.20 1s77 h LYS 412 Cb 1.22 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.70 1s77 h LYS 412 CO 0.69 0.00 0.69 0.00 -1.08 0.00 0.00 179.45 179.76 1s77 s ALA 413 N -4.97 -1.98 0.04 3.86 0.00 -1.26 -4.78 121.76 112.67 1s77 s ALA 413 Ca -0.05 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 1s77 s ALA 413 Cb 0.18 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1s77 s ALA 413 CO 0.68 -0.67 0.01 0.96 0.00 0.00 0.00 175.76 176.75 1s77 s ILE 414 N -2.68 0.17 0.18 0.00 -4.36 0.41 -4.73 121.20 110.19 1s77 s ILE 414 Ca 0.08 -1.41 0.04 0.00 -0.26 0.00 0.00 60.65 59.11 1s77 s ILE 414 Cb -0.01 -1.07 -0.05 0.00 1.25 0.00 0.00 42.46 42.58 1s77 s ILE 414 CO -0.06 -0.78 -0.06 0.26 0.24 0.00 0.00 174.94 174.55 1s77 s TRP 415 N -3.04 1.40 -0.16 1.37 0.51 0.13 -0.43 118.94 118.71 1s77 s TRP 415 Ca -0.01 -0.83 0.00 0.00 -2.12 0.00 0.00 56.10 53.14 1s77 s TRP 415 Cb 0.02 -0.76 0.03 0.00 -0.81 0.00 0.00 33.47 31.95 1s77 s TRP 415 CO -0.07 0.03 -0.09 -0.06 -0.51 0.00 0.00 176.95 176.25 1s77 s PHE 416 N -3.37 1.99 0.76 -1.98 0.08 -1.26 0.35 117.98 114.55 1s77 s PHE 416 Ca 0.22 -1.21 -0.13 0.00 0.12 0.00 0.00 56.93 55.93 1s77 s PHE 416 Cb 0.04 -1.46 0.06 0.00 -0.57 0.00 0.00 43.02 41.08 1s77 s PHE 416 CO 0.04 -0.65 1.16 -1.25 -0.10 0.00 0.00 175.22 174.42 1s77 s PRO 417 N 1.54 2.02 0.10 0.24 0.04 -1.26 -4.58 135.00 133.10 1s77 s PRO 417 Ca 0.02 1.56 0.05 0.00 0.04 0.00 0.00 61.00 62.67 1s77 s PRO 417 Cb -0.14 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1s77 s PRO 417 CO -0.09 -1.88 -0.12 0.71 0.04 0.00 0.00 177.00 175.66 1s77 s TYR 418 N -2.33 1.22 0.02 0.56 1.51 -1.26 -1.57 117.35 115.50 1s77 s TYR 418 Ca 0.69 -0.57 -0.00 0.00 -1.01 0.00 0.00 57.07 56.19 1s77 s TYR 418 Cb -0.24 -0.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 1s77 s TYR 418 CO 0.49 0.07 0.03 0.27 -1.11 0.00 0.00 175.55 175.29 1s77 n ASN 419 N 0.74 -0.08 -4.13 2.29 2.04 -0.75 -4.82 115.26 110.55 1s77 n ASN 419 Ca -0.17 -1.08 -0.11 0.00 -0.44 0.00 0.00 54.58 52.78 1s77 n ASN 419 Cb 0.56 0.13 -0.10 0.00 -2.53 0.00 0.00 39.78 37.85 1s77 n ASN 419 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1s77 s MET 420 N -2.02 0.73 0.81 -3.83 -1.94 0.11 -1.00 119.30 112.16 1s77 s MET 420 Ca 0.01 -1.15 -0.10 0.00 -1.71 0.00 0.00 55.69 52.75 1s77 s MET 420 Cb -0.00 -0.22 0.12 0.00 2.01 0.00 0.00 34.83 36.74 1s77 s MET 420 CO 0.01 0.00 1.14 0.16 -0.01 0.00 0.00 175.02 176.32 1s77 s ASP 421 N -2.57 4.09 0.18 3.03 3.84 -0.93 0.17 116.67 124.48 1s77 s ASP 421 Ca 0.05 0.30 0.14 0.00 -0.00 0.00 0.00 52.55 53.04 1s77 s ASP 421 Cb 0.00 -0.67 0.72 0.00 -1.38 0.00 0.00 42.92 41.60 1s77 s ASP 421 CO -0.03 -2.09 1.44 -2.67 -0.00 0.00 0.00 175.17 171.82 1s77 n TRP 422 N -3.26 0.45 0.78 2.11 4.27 -1.26 -0.18 117.44 120.34 1s77 n TRP 422 Ca 0.12 0.22 0.12 0.00 -3.89 0.00 0.00 57.50 54.07 1s77 n TRP 422 Cb 0.60 -0.85 0.24 0.00 -1.36 0.00 0.00 31.31 29.94 1s77 n TRP 422 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1s77 n ARG 423 N -1.95 0.15 -0.05 -2.67 3.00 -1.26 -4.61 116.66 109.27 1s77 n ARG 423 Ca -0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.85 57.88 1s77 n ARG 423 Cb 0.06 -1.60 0.00 0.00 0.00 0.00 0.00 32.46 30.92 1s77 n ARG 423 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s77 n GLY 424 N 1.42 0.81 3.77 -0.13 0.00 0.74 -4.25 105.19 107.54 1s77 n GLY 424 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1s77 n GLY 424 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s77 s ARG 425 N -0.95 3.21 -0.16 1.61 0.52 -1.26 -4.73 118.95 117.19 1s77 s ARG 425 Ca 0.00 1.67 -0.15 0.00 -0.52 0.00 0.00 55.73 56.72 1s77 s ARG 425 Cb 0.00 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.45 1s77 s ARG 425 CO 0.00 -0.98 0.36 0.08 0.02 0.00 0.00 175.30 174.78 1s77 s VAL 426 N -1.74 5.26 0.02 3.52 1.01 -1.26 -2.18 120.40 125.02 1s77 s VAL 426 Ca 0.74 0.68 0.03 0.00 0.00 0.00 0.00 61.98 63.44 1s77 s VAL 426 Cb -0.26 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1s77 s VAL 426 CO 0.29 0.35 -0.10 -0.31 0.00 0.00 0.00 175.10 175.33 1s77 s TYR 427 N 0.66 0.91 0.45 5.22 1.51 -0.17 -4.68 117.35 121.23 1s77 s TYR 427 Ca 0.19 -0.27 -0.22 0.00 -1.01 0.00 0.00 57.07 55.76 1s77 s TYR 427 Cb -0.14 -0.56 -0.08 0.00 -0.11 0.00 0.00 41.96 41.07 1s77 s TYR 427 CO 0.06 -0.01 1.06 0.00 -1.11 0.00 0.00 175.55 175.56 1s77 s ALA 428 N -0.60 2.97 0.01 3.71 0.00 -1.26 -1.81 121.76 124.76 1s77 s ALA 428 Ca 0.01 0.69 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 1s77 s ALA 428 Cb -0.06 -3.28 -0.32 0.00 0.00 0.00 0.00 23.12 19.46 1s77 s ALA 428 CO 0.00 -0.33 0.90 0.28 0.00 0.00 0.00 175.76 176.61 1s77 h VAL 429 N 1.85 1.19 -3.80 0.00 2.07 -1.61 -3.47 116.25 112.47 1s77 h VAL 429 Ca -0.49 -2.72 -0.49 0.00 0.82 0.00 0.00 66.70 63.82 1s77 h VAL 429 Cb 1.22 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1s77 h VAL 429 CO 0.60 0.84 0.41 -0.94 0.02 0.00 0.00 177.57 178.50 1s77 s SER 430 N -7.32 7.38 0.33 0.57 1.04 -1.26 -4.83 113.70 109.61 1s77 s SER 430 Ca -0.10 2.09 0.11 0.00 0.48 0.00 0.00 55.95 58.53 1s77 s SER 430 Cb 0.05 -2.61 0.96 0.00 0.10 0.00 0.00 66.02 64.52 1s77 s SER 430 CO 0.89 -0.05 1.69 0.24 0.98 0.00 0.00 173.24 177.00 1s77 h MET 431 N 3.78 0.42 -5.48 4.02 0.00 -1.89 -3.35 114.93 112.43 1s77 h MET 431 Ca -0.46 -0.03 -0.60 0.00 0.00 0.00 0.00 59.70 58.62 1s77 h MET 431 Cb 1.21 -0.09 -0.11 0.00 0.00 0.00 0.00 31.60 32.60 1s77 h MET 431 CO 0.67 0.28 -0.19 0.12 0.00 0.00 0.00 176.91 177.78 1s77 s PHE 432 N -5.74 3.40 0.09 -0.22 5.36 -1.26 -4.97 117.98 114.65 1s77 s PHE 432 Ca -0.10 0.67 -0.26 0.00 -0.96 0.00 0.00 56.93 56.27 1s77 s PHE 432 Cb 0.28 -2.52 0.08 0.00 -0.34 0.00 0.00 43.02 40.52 1s77 s PHE 432 CO 0.79 0.03 0.94 0.54 -1.46 0.00 0.00 175.22 176.06 1s77 s ASN 433 N 0.93 -0.25 0.00 6.13 4.22 -1.26 -4.71 114.94 120.01 1s77 s ASN 433 Ca 0.20 -0.25 0.01 0.00 -2.14 0.00 0.00 52.86 50.68 1s77 s ASN 433 Cb -0.15 0.45 0.09 0.00 1.28 0.00 0.00 41.25 42.92 1s77 s ASN 433 CO 0.08 -0.79 0.60 -2.65 -2.04 0.00 0.00 177.10 172.29 1s77 n PRO 434 N -0.39 0.04 -0.20 3.55 -0.02 -1.26 -1.80 135.00 134.92 1s77 n PRO 434 Ca -0.07 0.02 0.08 0.00 -2.02 0.00 0.00 63.50 61.50 1s77 n PRO 434 Cb 0.61 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.78 1s77 n PRO 434 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1s77 n GLN 435 N -1.02 2.52 0.00 -0.52 6.02 -1.26 -4.85 117.38 118.28 1s77 n GLN 435 Ca 0.01 -2.11 0.00 0.00 -0.01 0.00 0.00 57.00 54.89 1s77 n GLN 435 Cb 0.01 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 29.91 1s77 n GLN 435 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s77 n GLY 436 N 0.91 -1.60 0.75 1.08 0.00 -0.74 -5.05 105.19 100.53 1s77 n GLY 436 Ca 0.15 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.56 1s77 n GLY 436 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s77 n ASN 437 N -1.54 -1.11 -0.05 1.61 0.23 -1.26 -4.53 115.26 108.61 1s77 n ASN 437 Ca 0.00 -0.68 -0.09 0.00 -0.53 0.00 0.00 54.58 53.28 1s77 n ASN 437 Cb 0.00 -0.21 -0.02 0.00 -2.08 0.00 0.00 39.78 37.47 1s77 n ASN 437 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1s77 h ASP 438 N -1.27 0.09 -0.78 0.53 3.58 -1.97 0.15 116.42 116.74 1s77 h ASP 438 Ca -0.09 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1s77 h ASP 438 Cb 0.26 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 1s77 h ASP 438 CO 0.06 0.08 0.31 -0.03 -2.88 0.00 0.00 179.24 176.78 1s77 h MET 439 N 0.18 1.17 0.10 0.28 4.05 -1.97 0.11 114.93 118.86 1s77 h MET 439 Ca 0.10 -0.21 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1s77 h MET 439 Cb 0.06 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1s77 h MET 439 CO -0.10 0.95 -0.05 1.15 0.23 0.00 0.00 176.91 179.09 1s77 h THR 440 N 1.13 0.97 -0.55 -0.77 2.02 -1.77 -1.34 112.91 112.61 1s77 h THR 440 Ca 0.26 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 67.24 1s77 h THR 440 Cb 0.22 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1s77 h THR 440 CO -0.02 0.06 0.36 0.11 0.37 0.00 0.00 175.52 176.40 1s77 h LYS 441 N -0.25 0.53 0.00 6.66 1.57 -0.42 -0.91 116.57 123.75 1s77 h LYS 441 Ca -0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1s77 h LYS 441 Cb 0.21 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1s77 h LYS 441 CO 0.02 0.35 -0.25 0.78 -0.57 0.00 0.00 179.45 179.78 1s77 h GLY 442 N 0.54 0.00 2.00 3.86 0.00 -0.42 -2.94 103.07 106.11 1s77 h GLY 442 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1s77 h GLY 442 CO -0.06 0.00 -0.10 1.41 0.00 0.00 0.00 176.54 177.79 1s77 h LEU 443 N 0.00 0.00 -9.23 3.11 -0.00 -0.03 -3.43 115.31 105.73 1s77 h LEU 443 Ca -0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 57.88 57.22 1s77 h LEU 443 Cb 0.98 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.49 1s77 h LEU 443 CO 0.03 0.10 -0.60 -0.76 -0.00 0.00 0.00 178.44 177.21 1s77 s LEU 444 N -6.27 3.68 0.07 1.67 1.43 -0.92 0.42 118.68 118.76 1s77 s LEU 444 Ca 0.06 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1s77 s LEU 444 Cb 0.06 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1s77 s LEU 444 CO 0.68 0.31 0.05 0.28 0.23 0.00 0.00 176.35 177.90 1s77 s THR 445 N -0.48 0.19 0.32 5.49 -1.32 -0.49 -4.83 115.64 114.52 1s77 s THR 445 Ca 0.09 -1.62 -0.27 0.00 -1.21 0.00 0.00 61.69 58.68 1s77 s THR 445 Cb -0.12 -1.51 -0.09 0.00 -1.51 0.00 0.00 72.50 69.27 1s77 s THR 445 CO 0.02 -0.85 1.06 -0.76 -2.21 0.00 0.00 174.62 171.89 1s77 s LEU 446 N -2.91 4.40 0.09 9.08 1.43 -0.83 0.08 118.68 130.02 1s77 s LEU 446 Ca 0.08 2.14 -0.12 0.00 -1.03 0.00 0.00 54.13 55.20 1s77 s LEU 446 Cb 0.07 -3.85 -0.20 0.00 0.03 0.00 0.00 46.19 42.24 1s77 s LEU 446 CO -0.09 -0.25 1.22 0.00 0.23 0.00 0.00 176.35 177.45 1s77 h ALA 447 N 3.32 0.18 -2.15 4.21 0.00 -1.38 -3.42 119.26 120.02 1s77 h ALA 447 Ca -0.47 -0.70 -0.72 0.00 0.00 0.00 0.00 54.91 53.01 1s77 h ALA 447 Cb 1.21 0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.83 1s77 h ALA 447 CO 0.65 0.72 0.28 0.15 0.00 0.00 0.00 179.25 181.06 1s77 s LYS 448 N -3.30 3.32 0.51 0.00 1.02 -1.26 -4.98 119.74 115.05 1s77 s LYS 448 Ca -0.09 -1.73 0.03 0.00 0.02 0.00 0.00 55.97 54.20 1s77 s LYS 448 Cb 0.07 -4.47 0.10 0.00 -0.52 0.00 0.00 37.83 33.01 1s77 s LYS 448 CO 0.91 -1.53 0.70 0.41 -0.92 0.00 0.00 175.35 174.91 1s77 n GLY 449 N 5.00 1.16 3.36 -3.33 0.00 -1.26 -4.87 105.19 105.25 1s77 n GLY 449 Ca 0.05 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.88 1s77 n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s77 s LYS 450 N -4.26 1.15 0.12 1.61 1.02 -1.00 -4.85 119.74 113.53 1s77 s LYS 450 Ca 0.48 -0.72 -0.35 0.00 0.02 0.00 0.00 55.97 55.40 1s77 s LYS 450 Cb -0.03 0.49 -0.15 0.00 -0.52 0.00 0.00 37.83 37.61 1s77 s LYS 450 CO 0.32 -0.46 1.44 -2.30 -0.92 0.00 0.00 175.35 173.42 1s77 n PRO 451 N -0.26 1.58 -0.11 -1.68 -0.02 -1.25 -0.65 135.00 132.60 1s77 n PRO 451 Ca -0.15 0.57 -0.09 0.00 -2.02 0.00 0.00 63.50 61.81 1s77 n PRO 451 Cb 0.64 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 1s77 n PRO 451 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1s77 h ILE 452 N 3.45 1.11 -0.85 4.25 2.10 0.37 -3.43 117.51 124.50 1s77 h ILE 452 Ca -0.46 -0.26 0.10 0.00 1.08 0.00 0.00 64.86 65.31 1s77 h ILE 452 Cb 1.30 0.65 -0.04 0.00 -1.09 0.00 0.00 36.82 37.65 1s77 h ILE 452 CO 0.82 0.11 -0.22 0.61 -1.08 0.00 0.00 178.15 178.40 1s77 n GLY 453 N -1.09 -2.01 0.33 8.18 0.00 0.19 -2.81 105.19 107.98 1s77 n GLY 453 Ca -0.01 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 1s77 n GLY 453 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s77 h LYS 454 N -0.35 -0.50 -0.27 1.61 3.64 -1.95 0.25 116.57 118.99 1s77 h LYS 454 Ca -0.02 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1s77 h LYS 454 Cb 0.35 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1s77 h LYS 454 CO 0.01 -0.34 -0.02 0.93 -2.27 0.00 0.00 179.45 177.77 1s77 h GLU 455 N -0.52 0.50 -0.68 1.90 5.08 -1.94 -2.27 114.58 116.64 1s77 h GLU 455 Ca 0.03 -0.17 0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1s77 h GLU 455 Cb 0.55 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 1s77 h GLU 455 CO -0.18 0.67 0.30 0.78 -1.00 0.00 0.00 179.01 179.58 1s77 h GLY 456 N 0.27 1.01 0.95 -3.84 0.00 -1.35 -0.34 103.07 99.77 1s77 h GLY 456 Ca 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1s77 h GLY 456 CO 0.02 -0.01 0.19 -1.82 0.00 0.00 0.00 176.54 174.92 1s77 h TYR 457 N 0.49 0.54 0.29 5.60 3.20 -0.36 0.16 116.97 126.90 1s77 h TYR 457 Ca 0.35 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1s77 h TYR 457 Cb 0.43 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1s77 h TYR 457 CO -0.14 0.45 -0.38 -0.92 -1.64 0.00 0.00 178.16 175.53 1s77 h TYR 458 N 0.47 -1.05 -0.20 -3.82 3.20 -0.71 -0.01 116.97 114.86 1s77 h TYR 458 Ca 0.13 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1s77 h TYR 458 Cb 0.11 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1s77 h TYR 458 CO -0.02 -0.52 0.03 -1.49 -1.64 0.00 0.00 178.16 174.53 1s77 h TRP 459 N -0.73 0.28 -0.72 -3.82 4.06 -0.98 0.36 115.95 114.41 1s77 h TRP 459 Ca -0.01 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.94 1s77 h TRP 459 Cb 0.68 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.72 1s77 h TRP 459 CO -0.25 0.27 0.47 1.25 -3.56 0.00 0.00 178.44 176.62 1s77 h LEU 460 N 0.28 0.80 -0.70 -4.49 5.85 0.29 0.37 115.31 117.71 1s77 h LEU 460 Ca 0.07 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 1s77 h LEU 460 Cb 0.15 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1s77 h LEU 460 CO -0.00 0.58 -0.14 0.11 -0.34 0.00 0.00 178.44 178.64 1s77 h LYS 461 N 0.95 0.85 -0.23 1.25 1.57 0.86 -0.12 116.57 121.70 1s77 h LYS 461 Ca 0.27 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1s77 h LYS 461 Cb -0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1s77 h LYS 461 CO -0.07 0.94 0.15 0.82 -0.57 0.00 0.00 179.45 180.71 1s77 h ILE 462 N 0.76 1.08 -0.31 1.86 1.08 -0.07 -0.47 117.51 121.43 1s77 h ILE 462 Ca 0.12 -0.17 0.06 0.00 -0.39 0.00 0.00 64.86 64.48 1s77 h ILE 462 Cb 0.66 0.77 -0.06 0.00 -3.07 0.00 0.00 36.82 35.12 1s77 h ILE 462 CO 0.05 0.07 -0.05 -0.74 -0.69 0.00 0.00 178.15 176.79 1s77 h HIS 463 N 0.30 -0.12 -0.93 1.37 2.76 0.08 0.12 115.15 118.73 1s77 h HIS 463 Ca 0.08 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 1s77 h HIS 463 Cb -0.01 0.10 -0.06 0.00 1.55 0.00 0.00 27.41 28.99 1s77 h HIS 463 CO -0.05 -0.11 0.59 0.78 -1.30 0.00 0.00 177.93 177.83 1s77 h GLY 464 N 0.02 1.40 0.95 5.26 0.00 -0.67 0.41 103.07 110.44 1s77 h GLY 464 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1s77 h GLY 464 CO -0.30 0.31 0.15 0.00 0.00 0.00 0.00 176.54 176.70 1s77 h ALA 465 N 1.42 0.36 -0.50 3.60 0.00 -0.24 -1.17 119.26 122.73 1s77 h ALA 465 Ca 0.40 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.26 1s77 h ALA 465 Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1s77 h ALA 465 CO -0.17 -0.10 0.30 -0.91 0.00 0.00 0.00 179.25 178.37 1s77 h ASN 466 N 0.34 0.48 0.34 0.00 2.35 0.62 -0.92 115.58 118.78 1s77 h ASN 466 Ca 0.10 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1s77 h ASN 466 Cb 0.08 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1s77 h ASN 466 CO -0.02 0.34 -0.09 0.00 -1.65 0.00 0.00 177.43 176.02 1s77 h ALA 468 N 1.91 0.81 0.00 0.00 0.00 -0.15 -1.67 119.26 120.17 1s77 h ALA 468 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1s77 h ALA 468 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1s77 h ALA 468 CO 0.01 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1s77 n GLY 469 N 1.14 1.49 3.58 0.00 0.00 -0.50 -3.86 105.19 107.03 1s77 n GLY 469 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1s77 n GLY 469 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s77 s VAL 470 N -2.21 3.87 0.00 1.61 1.01 -0.47 -4.36 120.40 119.85 1s77 s VAL 470 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1s77 s VAL 470 Cb 0.00 -4.91 0.00 0.00 0.00 0.00 0.00 36.38 31.47 1s77 s VAL 470 CO 0.00 -1.62 0.08 -0.90 0.00 0.00 0.00 175.10 172.66 1s77 n ASP 471 N 10.74 0.16 -2.26 3.32 5.68 -1.26 -3.81 116.55 129.12 1s77 n ASP 471 Ca 0.45 -0.70 -0.32 0.00 -0.50 0.00 0.00 54.79 53.72 1s77 n ASP 471 Cb 0.47 0.08 0.07 0.00 -1.14 0.00 0.00 41.12 40.61 1s77 n ASP 471 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1s77 n LYS 472 N -0.08 2.83 -3.91 0.11 4.76 -1.26 -4.91 118.16 115.70 1s77 n LYS 472 Ca 0.00 -3.44 -0.10 0.00 -2.87 0.00 0.00 58.31 51.90 1s77 n LYS 472 Cb 0.12 -2.28 -0.10 0.00 -1.84 0.00 0.00 35.03 30.93 1s77 n LYS 472 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1s77 s VAL 473 N -4.73 0.09 0.96 -0.18 0.11 -1.26 -4.74 120.40 110.66 1s77 s VAL 473 Ca 0.62 -0.74 -0.13 0.00 -2.93 0.00 0.00 61.98 58.80 1s77 s VAL 473 Cb 0.49 -0.37 0.04 0.00 -1.53 0.00 0.00 36.38 35.01 1s77 s VAL 473 CO 0.00 -0.41 0.38 -0.81 -3.33 0.00 0.00 175.10 170.94 1s77 n PRO 474 N 1.54 -0.39 -0.23 1.54 -0.04 -1.26 -4.72 135.00 131.44 1s77 n PRO 474 Ca -0.23 -0.07 0.01 0.00 -0.04 0.00 0.00 63.50 63.17 1s77 n PRO 474 Cb 0.55 -1.85 0.13 0.00 -0.04 0.00 0.00 33.50 32.29 1s77 n PRO 474 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1s77 h PHE 475 N -1.61 0.59 -0.94 0.54 0.04 -1.98 -1.95 116.94 111.64 1s77 h PHE 475 Ca -0.44 0.03 0.11 0.00 2.80 0.00 0.00 57.97 60.47 1s77 h PHE 475 Cb 1.29 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 39.20 1s77 h PHE 475 CO 0.37 0.21 0.60 -1.35 -0.60 0.00 0.00 178.31 177.55 1s77 h PRO 476 N 0.57 0.89 0.00 1.51 0.11 -2.00 0.33 132.00 133.41 1s77 h PRO 476 Ca 0.34 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1s77 h PRO 476 Cb 0.35 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 1s77 h PRO 476 CO -0.27 0.59 -0.05 1.49 -0.21 0.00 0.00 178.00 179.55 1s77 h GLU 477 N 0.92 0.00 0.17 1.05 4.81 -1.68 -2.26 114.58 117.59 1s77 h GLU 477 Ca 0.45 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.42 1s77 h GLU 477 Cb 0.46 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.87 1s77 h GLU 477 CO -0.21 0.05 -1.13 0.00 -0.73 0.00 0.00 179.01 176.99 1s77 h ARG 478 N 0.00 0.47 -0.66 1.92 3.08 -0.77 -2.31 114.38 116.10 1s77 h ARG 478 Ca -0.00 -0.73 -0.02 0.00 0.07 0.00 0.00 59.98 59.30 1s77 h ARG 478 Cb 0.66 0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 1s77 h ARG 478 CO 0.01 1.34 0.33 0.82 -1.07 0.00 0.00 179.97 181.40 1s77 h ILE 479 N -0.03 1.22 -0.87 2.04 1.08 -1.24 -1.91 117.51 117.80 1s77 h ILE 479 Ca -0.19 -0.59 -0.02 0.00 -0.39 0.00 0.00 64.86 63.67 1s77 h ILE 479 Cb 1.87 0.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.97 1s77 h ILE 479 CO 0.21 0.25 0.46 0.50 -0.69 0.00 0.00 178.15 178.89 1s77 h LYS 480 N 0.91 1.22 -0.46 2.37 1.63 -1.45 0.15 116.57 120.94 1s77 h LYS 480 Ca 0.23 -0.15 0.03 0.00 -0.85 0.00 0.00 60.65 59.91 1s77 h LYS 480 Cb 0.09 -0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 31.45 1s77 h LYS 480 CO -0.03 0.90 0.24 0.35 -3.45 0.00 0.00 179.45 177.46 1s77 h PHE 481 N 1.22 0.45 -0.11 1.91 3.57 -0.79 0.14 116.94 123.33 1s77 h PHE 481 Ca 0.31 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 1s77 h PHE 481 Cb 0.05 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1s77 h PHE 481 CO 0.01 0.23 -0.10 0.82 -2.23 0.00 0.00 178.31 177.04 1s77 h ILE 482 N 0.48 1.35 -0.77 1.41 1.08 -0.59 -2.96 117.51 117.51 1s77 h ILE 482 Ca 0.20 -1.24 -0.05 0.00 -0.39 0.00 0.00 64.86 63.37 1s77 h ILE 482 Cb 0.08 1.92 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 1s77 h ILE 482 CO -0.13 0.36 0.29 -0.33 -0.69 0.00 0.00 178.15 177.65 1s77 h GLU 483 N -0.12 1.17 -0.01 2.37 5.08 -0.57 -0.83 114.58 121.67 1s77 h GLU 483 Ca 0.02 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1s77 h GLU 483 Cb 0.62 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1s77 h GLU 483 CO 0.03 0.96 0.00 0.39 -1.00 0.00 0.00 179.01 179.39 1s77 n GLU 484 N -4.27 1.01 -0.03 2.33 1.02 0.48 -2.02 120.64 119.17 1s77 n GLU 484 Ca 0.07 -0.02 0.01 0.00 -0.02 0.00 0.00 57.16 57.20 1s77 n GLU 484 Cb 0.20 -1.01 0.01 0.00 -0.02 0.00 0.00 31.44 30.62 1s77 n GLU 484 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1s77 n ASN 485 N -0.48 1.08 -0.17 1.62 3.02 -0.40 -4.89 115.26 115.03 1s77 n ASN 485 Ca 0.00 -1.64 -0.05 0.00 -0.03 0.00 0.00 54.58 52.87 1s77 n ASN 485 Cb 0.01 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 1s77 n ASN 485 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1s77 n HIS 486 N -0.32 -0.18 -0.25 3.10 -0.00 -0.67 -0.81 115.22 116.10 1s77 n HIS 486 Ca 0.01 0.51 0.09 0.00 -0.00 0.00 0.00 57.72 58.33 1s77 n HIS 486 Cb 0.40 -0.48 0.35 0.00 -0.00 0.00 0.00 29.99 30.26 1s77 n HIS 486 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1s77 h GLU 487 N 0.00 0.74 0.06 1.57 4.39 -1.90 -0.80 114.58 118.63 1s77 h GLU 487 Ca 0.07 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1s77 h GLU 487 Cb 0.17 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1s77 h GLU 487 CO -0.39 0.49 -0.03 -0.91 -1.16 0.00 0.00 179.01 177.02 1s77 h ASN 488 N 0.76 -0.06 -0.08 1.42 -0.26 -1.35 -1.01 115.58 115.00 1s77 h ASN 488 Ca 0.40 -0.08 0.02 0.00 -0.56 0.00 0.00 56.30 56.07 1s77 h ASN 488 Cb 0.50 0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.76 1s77 h ASN 488 CO -0.16 0.04 -0.03 0.40 -1.06 0.00 0.00 177.43 176.62 1s77 h ILE 489 N -0.16 0.90 -0.61 2.81 2.04 -0.32 -1.13 117.51 121.03 1s77 h ILE 489 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1s77 h ILE 489 Cb 0.14 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1s77 h ILE 489 CO 0.01 0.00 0.40 0.24 0.00 0.00 0.00 178.15 178.81 1s77 h MET 490 N -0.02 0.69 0.05 2.37 2.86 -1.14 -0.81 114.93 118.94 1s77 h MET 490 Ca 0.04 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s77 h MET 490 Cb 0.08 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1s77 h MET 490 CO -0.09 0.46 -0.02 0.00 1.06 0.00 0.00 176.91 178.31 1s77 h ALA 491 N 1.65 -0.07 -0.17 6.32 0.00 -0.60 0.25 119.26 126.64 1s77 h ALA 491 Ca 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1s77 h ALA 491 Cb 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1s77 h ALA 491 CO -0.07 -0.40 0.03 0.00 0.00 0.00 0.00 179.25 178.81 1s77 h ALA 493 N 1.81 0.17 -0.09 0.00 0.00 -0.82 -1.84 119.26 118.49 1s77 h ALA 493 Ca 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1s77 h ALA 493 Cb 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1s77 h ALA 493 CO -0.00 0.06 0.02 -0.22 0.00 0.00 0.00 179.25 179.11 1s77 h LYS 494 N -0.12 0.15 -2.22 0.00 1.63 0.05 -3.40 116.57 112.66 1s77 h LYS 494 Ca 0.01 -0.04 -0.57 0.00 -0.85 0.00 0.00 60.65 59.20 1s77 h LYS 494 Cb 0.70 -0.02 -0.38 0.00 -0.60 0.00 0.00 32.23 31.93 1s77 h LYS 494 CO 0.04 0.34 -1.01 0.43 -3.45 0.00 0.00 179.45 175.80 1s77 n SER 495 N -4.88 -0.35 -0.28 4.20 7.64 0.26 -5.01 113.62 115.20 1s77 n SER 495 Ca -0.06 -2.48 0.05 0.00 1.01 0.00 0.00 58.87 57.39 1s77 n SER 495 Cb 0.16 -0.54 0.19 0.00 -1.01 0.00 0.00 64.21 63.01 1s77 n SER 495 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1s77 h PRO 496 N 5.13 0.62 -0.07 1.43 0.13 -1.51 0.71 132.00 138.43 1s77 h PRO 496 Ca 0.21 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1s77 h PRO 496 Cb 0.90 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1s77 h PRO 496 CO 0.39 0.41 0.00 1.28 -0.23 0.00 0.00 178.00 179.85 1s77 n LEU 497 N -4.85 0.07 0.00 1.56 4.32 -1.26 -3.49 117.00 113.35 1s77 n LEU 497 Ca 0.15 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.10 1s77 n LEU 497 Cb 0.37 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 1s77 n LEU 497 CO 0.23 0.02 -0.30 -0.62 -1.22 0.00 0.00 177.39 175.50 1s77 n GLU 498 N -0.46 0.56 -3.67 3.23 1.02 -0.28 -4.88 120.64 116.16 1s77 n GLU 498 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1s77 n GLU 498 Cb 0.02 -0.80 -0.08 0.00 -0.02 0.00 0.00 31.44 30.56 1s77 n GLU 498 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1s77 s ASN 499 N -3.27 5.70 -0.36 1.62 0.02 0.23 -4.92 114.94 113.96 1s77 s ASN 499 Ca 0.00 -3.40 0.01 0.00 -1.02 0.00 0.00 52.86 48.45 1s77 s ASN 499 Cb 0.00 -1.89 0.40 0.00 0.02 0.00 0.00 41.25 39.78 1s77 s ASN 499 CO 0.00 -0.25 1.78 0.35 0.02 0.00 0.00 177.10 178.99 1s77 n THR 500 N 2.76 2.74 0.26 1.60 -2.24 -1.23 -4.15 114.28 114.02 1s77 n THR 500 Ca 0.16 -1.63 0.11 0.00 -2.27 0.00 0.00 64.05 60.43 1s77 n THR 500 Cb 0.37 -0.87 0.70 0.00 -2.10 0.00 0.00 70.33 68.43 1s77 n THR 500 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1s77 h TRP 501 N 1.06 0.00 -0.12 4.78 7.01 -1.91 -2.44 115.95 124.32 1s77 h TRP 501 Ca 0.43 0.00 -0.12 0.00 2.11 0.00 0.00 58.89 61.31 1s77 h TRP 501 Cb 1.76 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.81 1s77 h TRP 501 CO 1.08 0.12 -0.45 0.11 -2.79 0.00 0.00 178.44 176.51 1s77 h TRP 502 N 0.00 0.36 0.00 2.65 5.08 -1.94 -2.62 115.95 119.48 1s77 h TRP 502 Ca -0.00 -0.11 -0.02 0.00 1.08 0.00 0.00 58.89 59.84 1s77 h TRP 502 Cb 0.30 -0.08 -0.00 0.00 -3.00 0.00 0.00 29.16 26.38 1s77 h TRP 502 CO 0.00 0.71 -0.10 0.00 -1.28 0.00 0.00 178.44 177.77 1s77 h ALA 503 N 1.28 1.11 0.00 0.11 0.00 -1.73 -2.21 119.26 117.82 1s77 h ALA 503 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1s77 h ALA 503 Cb 0.90 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1s77 h ALA 503 CO 0.07 0.12 -0.04 1.49 0.00 0.00 0.00 179.25 180.90 1s77 h GLU 504 N 0.00 0.00 -7.52 0.00 4.81 -1.50 -3.30 114.58 107.07 1s77 h GLU 504 Ca -0.00 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.79 1s77 h GLU 504 Cb 0.44 0.00 0.16 0.00 0.63 0.00 0.00 28.75 29.97 1s77 h GLU 504 CO 0.01 0.04 0.27 -0.65 -0.73 0.00 0.00 179.01 177.95 1s77 s GLN 505 N -3.57 0.31 0.05 1.92 -1.52 -0.83 -4.94 119.66 111.08 1s77 s GLN 505 Ca 0.02 0.07 -0.26 0.00 -1.95 0.00 0.00 55.36 53.24 1s77 s GLN 505 Cb 0.08 -1.76 -0.17 0.00 -0.22 0.00 0.00 33.01 30.94 1s77 s GLN 505 CO 0.58 -2.72 1.52 -0.44 -0.25 0.00 0.00 175.29 173.99 1s77 h ASP 506 N -1.87 -0.23 -2.70 5.90 5.19 -1.67 -3.25 116.42 117.79 1s77 h ASP 506 Ca -0.48 -0.11 -0.69 0.00 -0.62 0.00 0.00 57.03 55.12 1s77 h ASP 506 Cb 1.30 0.06 -0.36 0.00 0.18 0.00 0.00 39.33 40.51 1s77 h ASP 506 CO 0.49 -0.02 -0.04 -1.20 -3.12 0.00 0.00 179.24 175.34 1s77 n SER 507 N -5.14 4.69 -0.10 6.45 7.64 -0.63 -4.94 113.62 121.59 1s77 n SER 507 Ca -0.09 -3.36 -0.06 0.00 1.01 0.00 0.00 58.87 56.37 1s77 n SER 507 Cb 0.19 -0.95 0.01 0.00 -1.01 0.00 0.00 64.21 62.44 1s77 n SER 507 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1s77 h PRO 508 N 5.02 -0.10 -0.27 1.43 0.13 -1.73 0.91 132.00 137.38 1s77 h PRO 508 Ca 0.19 0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.22 1s77 h PRO 508 Cb 0.68 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1s77 h PRO 508 CO 1.00 -0.07 -0.28 0.74 -0.23 0.00 0.00 178.00 179.16 1s77 h PHE 509 N -0.11 0.61 -0.00 1.56 0.04 -1.85 0.62 116.94 117.82 1s77 h PHE 509 Ca 0.18 -0.14 -0.16 0.00 2.80 0.00 0.00 57.97 60.65 1s77 h PHE 509 Cb 0.39 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1s77 h PHE 509 CO -0.40 0.76 -0.74 0.00 -0.60 0.00 0.00 178.31 177.33 1s77 h PHE 511 N 0.01 0.48 -0.50 0.00 3.57 0.15 -1.26 116.94 119.40 1s77 h PHE 511 Ca -0.01 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.36 1s77 h PHE 511 Cb 1.31 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 1s77 h PHE 511 CO 0.00 0.85 0.24 1.25 -2.23 0.00 0.00 178.31 178.43 1s77 h LEU 512 N -0.02 0.35 -0.78 0.59 5.85 0.33 0.25 115.31 121.88 1s77 h LEU 512 Ca 0.01 0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.90 1s77 h LEU 512 Cb 0.82 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.72 1s77 h LEU 512 CO 0.05 0.24 0.35 0.00 -0.34 0.00 0.00 178.44 178.74 1s77 h ALA 513 N 1.27 1.12 -0.37 1.25 0.00 -0.64 0.11 119.26 122.00 1s77 h ALA 513 Ca 0.22 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1s77 h ALA 513 Cb 0.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1s77 h ALA 513 CO -0.16 -0.16 -0.22 0.35 0.00 0.00 0.00 179.25 179.06 1s77 h PHE 514 N 0.51 0.82 -0.78 0.00 3.04 0.45 -2.72 116.94 118.27 1s77 h PHE 514 Ca 0.42 -0.18 0.01 0.00 3.98 0.00 0.00 57.97 62.20 1s77 h PHE 514 Cb 0.61 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.89 1s77 h PHE 514 CO -0.14 0.88 0.51 0.00 -2.02 0.00 0.00 178.31 177.55 1s77 h PHE 516 N 1.06 -0.34 -0.66 0.00 0.05 -1.11 0.49 116.94 116.42 1s77 h PHE 516 Ca 0.28 -0.00 -0.00 0.00 3.82 0.00 0.00 57.97 62.07 1s77 h PHE 516 Cb -0.11 0.13 -0.03 0.00 2.00 0.00 0.00 35.95 37.93 1s77 h PHE 516 CO -0.02 -0.20 0.41 0.93 -0.18 0.00 0.00 178.31 179.25 1s77 h GLU 517 N -0.31 0.89 -0.22 1.51 4.39 -1.17 0.18 114.58 119.86 1s77 h GLU 517 Ca -0.01 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1s77 h GLU 517 Cb 0.28 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1s77 h GLU 517 CO -0.01 0.63 0.12 -0.92 -1.16 0.00 0.00 179.01 177.66 1s77 h TYR 518 N 0.90 0.30 -0.85 4.33 5.03 0.10 0.18 116.97 126.95 1s77 h TYR 518 Ca 0.24 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.59 1s77 h TYR 518 Cb -0.04 -0.09 -0.05 0.00 1.55 0.00 0.00 36.73 38.09 1s77 h TYR 518 CO -0.02 0.26 0.56 0.00 -1.32 0.00 0.00 178.16 177.64 1s77 h ALA 519 N 1.01 1.51 -0.55 1.82 0.00 0.33 -1.26 119.26 122.11 1s77 h ALA 519 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1s77 h ALA 519 Cb 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1s77 h ALA 519 CO -0.01 0.38 0.34 0.78 0.00 0.00 0.00 179.25 180.74 1s77 h GLY 520 N 1.01 0.80 1.57 0.00 0.00 0.39 -0.81 103.07 106.03 1s77 h GLY 520 Ca 0.35 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1s77 h GLY 520 CO -0.12 0.32 0.13 -2.08 0.00 0.00 0.00 176.54 174.80 1s77 h VAL 521 N 0.74 1.16 -0.22 4.60 2.07 0.11 -0.92 116.25 123.80 1s77 h VAL 521 Ca 0.20 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1s77 h VAL 521 Cb -0.02 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1s77 h VAL 521 CO -0.04 0.20 -0.01 1.56 0.02 0.00 0.00 177.57 179.30 1s77 h GLN 522 N 0.56 0.39 0.00 1.57 1.08 -0.45 0.45 115.11 118.71 1s77 h GLN 522 Ca 0.13 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1s77 h GLN 522 Cb 0.15 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1s77 h GLN 522 CO -0.01 0.60 -0.22 0.45 -0.95 0.00 0.00 178.83 178.69 1s77 h HIS 523 N 0.15 0.00 0.00 2.96 3.86 -0.79 -3.36 115.15 117.96 1s77 h HIS 523 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1s77 h HIS 523 Cb 0.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1s77 h HIS 523 CO 0.04 0.22 0.00 0.72 0.86 0.00 0.00 177.93 179.77 1s77 n HIS 524 N -3.62 0.00 0.00 2.45 8.25 -0.39 -5.10 115.22 116.81 1s77 n HIS 524 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1s77 n HIS 524 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1s77 n HIS 524 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s77 n GLY 525 N 0.62 -1.32 0.00 -1.41 0.00 0.16 -4.27 105.19 98.97 1s77 n GLY 525 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1s77 n GLY 525 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s77 n LEU 526 N -1.64 0.00 0.05 0.99 4.77 -1.26 -0.37 117.00 119.53 1s77 n LEU 526 Ca 0.00 0.21 0.13 0.00 -0.03 0.00 0.00 56.01 56.32 1s77 n LEU 526 Cb 0.00 -0.21 0.36 0.00 -2.33 0.00 0.00 43.42 41.24 1s77 n LEU 526 CO 0.00 -0.21 0.66 -0.24 -1.33 0.00 0.00 177.39 176.27 1s77 n SER 527 N -1.15 0.53 -4.62 -1.43 2.88 -1.26 -0.63 113.62 107.94 1s77 n SER 527 Ca 0.00 0.27 -0.52 0.00 -1.33 0.00 0.00 58.87 57.29 1s77 n SER 527 Cb 0.11 -0.25 -0.06 0.00 -0.75 0.00 0.00 64.21 63.27 1s77 n SER 527 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s77 n TYR 528 N -1.89 1.68 -2.69 0.66 9.36 0.50 -4.35 117.16 120.43 1s77 n TYR 528 Ca 0.05 0.57 -0.43 0.00 3.32 0.00 0.00 57.90 61.42 1s77 n TYR 528 Cb 0.39 -2.38 -0.02 0.00 -0.63 0.00 0.00 39.34 36.70 1s77 n TYR 528 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1s77 s ASN 529 N 1.04 7.01 -0.01 2.98 3.84 -1.26 0.27 114.94 128.81 1s77 s ASN 529 Ca 0.86 1.22 0.06 0.00 0.21 0.00 0.00 52.86 55.21 1s77 s ASN 529 Cb -0.94 -2.52 -0.01 0.00 -0.55 0.00 0.00 41.25 37.22 1s77 s ASN 529 CO 0.49 -0.71 -0.18 0.00 -2.79 0.00 0.00 177.10 173.91 1s77 n SER 531 N 2.56 0.95 -4.69 0.00 3.41 -1.26 -2.37 113.62 112.22 1s77 n SER 531 Ca -0.15 -2.31 -0.42 0.00 -0.26 0.00 0.00 58.87 55.73 1s77 n SER 531 Cb 0.54 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 1s77 n SER 531 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1s77 s LEU 532 N -1.09 4.35 -0.27 1.04 2.96 -1.26 -1.96 118.68 122.46 1s77 s LEU 532 Ca 0.11 2.40 -0.29 0.00 -0.22 0.00 0.00 54.13 56.14 1s77 s LEU 532 Cb 0.10 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.21 1s77 s LEU 532 CO 0.01 -0.86 1.68 -2.16 -1.32 0.00 0.00 176.35 173.70 1s77 s PRO 533 N 2.74 3.62 -0.43 0.98 0.04 -1.26 -3.92 135.00 136.77 1s77 s PRO 533 Ca 0.72 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 63.12 1s77 s PRO 533 Cb -0.38 -4.10 0.02 0.00 0.04 0.00 0.00 34.50 30.09 1s77 s PRO 533 CO 0.31 -1.51 0.60 -0.51 0.04 0.00 0.00 177.00 175.93 1s77 s LEU 534 N 5.83 4.57 -0.05 -3.56 1.43 0.17 -4.85 118.68 122.22 1s77 s LEU 534 Ca 0.74 -0.40 -0.26 0.00 -1.03 0.00 0.00 54.13 53.19 1s77 s LEU 534 Cb -0.24 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 1s77 s LEU 534 CO 0.31 -0.73 0.79 0.00 0.23 0.00 0.00 176.35 176.96 1s77 s ALA 535 N 2.67 3.29 -0.26 4.21 0.00 -1.26 -3.17 121.76 127.24 1s77 s ALA 535 Ca 0.20 0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 1s77 s ALA 535 Cb -0.15 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.89 1s77 s ALA 535 CO 0.18 -0.17 -0.01 -0.06 0.00 0.00 0.00 175.76 175.69 1s77 s PHE 536 N 0.94 3.06 -0.06 0.00 0.08 -0.09 -4.93 117.98 116.99 1s77 s PHE 536 Ca 0.42 -1.21 0.03 0.00 0.12 0.00 0.00 56.93 56.30 1s77 s PHE 536 Cb -0.19 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 1s77 s PHE 536 CO 0.21 -0.63 -0.16 0.34 -0.10 0.00 0.00 175.22 174.88 1s77 s ASP 537 N 1.42 3.90 0.61 1.36 2.15 -1.26 -0.62 116.67 124.24 1s77 s ASP 537 Ca 0.02 -0.25 -0.18 0.00 0.43 0.00 0.00 52.55 52.57 1s77 s ASP 537 Cb -0.16 -0.93 -0.03 0.00 -0.30 0.00 0.00 42.92 41.50 1s77 s ASP 537 CO -0.02 0.31 1.20 -0.83 -0.17 0.00 0.00 175.17 175.66 1s77 s GLY 538 N -0.52 2.67 -0.53 2.66 0.00 -0.73 -4.20 107.32 106.67 1s77 s GLY 538 Ca 0.07 0.97 -0.17 0.00 0.00 0.00 0.00 44.72 45.60 1s77 s GLY 538 CO 0.01 1.37 0.53 -1.35 0.00 0.00 0.00 173.10 173.66 1s77 s SER 539 N -1.69 6.18 -1.08 1.64 1.04 -1.23 -4.46 113.70 114.10 1s77 s SER 539 Ca 0.77 -1.48 -0.06 0.00 0.48 0.00 0.00 55.95 55.66 1s77 s SER 539 Cb -0.30 -2.23 -0.06 0.00 0.10 0.00 0.00 66.02 63.53 1s77 s SER 539 CO 0.35 -0.86 0.93 0.00 0.98 0.00 0.00 173.24 174.63 1s77 h SER 541 N -1.24 0.02 0.22 0.00 4.64 -1.97 -1.76 113.55 113.45 1s77 h SER 541 Ca -0.61 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.72 1s77 h SER 541 Cb 1.32 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.37 1s77 h SER 541 CO 0.45 0.01 -0.41 1.23 -0.87 0.00 0.00 176.83 177.23 1s77 h GLY 542 N 0.01 -0.89 1.17 -0.77 0.00 -1.93 0.24 103.07 100.91 1s77 h GLY 542 Ca 0.41 0.49 -0.07 0.00 0.00 0.00 0.00 47.33 48.17 1s77 h GLY 542 CO -0.01 -0.29 0.13 -2.22 0.00 0.00 0.00 176.54 174.15 1s77 h ILE 543 N -0.71 1.25 -0.04 2.60 1.08 -1.68 -2.26 117.51 117.75 1s77 h ILE 543 Ca 0.00 -0.96 0.04 0.00 -0.39 0.00 0.00 64.86 63.55 1s77 h ILE 543 Cb 0.70 0.62 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 1s77 h ILE 543 CO -0.18 0.36 -0.35 1.56 -0.69 0.00 0.00 178.15 178.85 1s77 h GLN 544 N 0.97 -0.46 -1.00 2.37 4.20 -0.95 0.46 115.11 120.69 1s77 h GLN 544 Ca 0.20 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.03 1s77 h GLN 544 Cb 0.38 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.19 1s77 h GLN 544 CO 0.00 -0.31 0.64 0.45 -0.67 0.00 0.00 178.83 178.95 1s77 h HIS 545 N -0.48 1.18 -0.17 2.96 3.86 -0.81 0.17 115.15 121.85 1s77 h HIS 545 Ca 0.07 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1s77 h HIS 545 Cb 0.58 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1s77 h HIS 545 CO -0.38 0.56 0.07 0.74 0.86 0.00 0.00 177.93 179.78 1s77 h PHE 546 N 1.10 0.25 -0.49 2.45 0.04 -0.64 -1.65 116.94 118.01 1s77 h PHE 546 Ca 0.46 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.21 1s77 h PHE 546 Cb 0.30 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1s77 h PHE 546 CO -0.00 0.30 0.29 0.77 -0.60 0.00 0.00 178.31 179.07 1s77 h SER 547 N 0.13 0.59 0.87 2.17 0.02 0.93 -1.69 113.55 116.56 1s77 h SER 547 Ca 0.06 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1s77 h SER 547 Cb 0.15 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1s77 h SER 547 CO -0.01 0.48 -0.47 0.00 -1.14 0.00 0.00 176.83 175.70 1s77 h ALA 548 N 1.13 -1.25 0.00 3.77 0.00 -0.60 1.23 119.26 123.55 1s77 h ALA 548 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s77 h ALA 548 Cb 0.01 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1s77 h ALA 548 CO -0.03 -1.21 0.00 0.00 0.00 0.00 0.00 179.25 178.01 1s77 h MET 549 N -1.23 0.00 -0.01 0.00 -0.00 -1.27 -0.89 114.93 111.54 1s77 h MET 549 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.58 1s77 h MET 549 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.56 1s77 h MET 549 CO 0.16 0.00 -0.46 1.28 -0.00 0.00 0.00 176.91 177.89 1s77 n LEU 550 N -2.67 1.17 -2.20 -0.10 4.77 -0.64 -4.91 117.00 112.42 1s77 n LEU 550 Ca -0.01 -0.65 -0.20 0.00 -0.03 0.00 0.00 56.01 55.11 1s77 n LEU 550 Cb 0.10 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1s77 n LEU 550 CO 0.17 0.24 -0.25 0.54 -1.33 0.00 0.00 177.39 176.76 1s77 n ARG 551 N -0.65 -1.60 -2.34 3.23 5.12 0.40 -0.86 116.66 119.96 1s77 n ARG 551 Ca 0.05 1.03 -0.43 0.00 -1.93 0.00 0.00 57.85 56.57 1s77 n ARG 551 Cb 0.27 -5.62 -0.02 0.00 -1.16 0.00 0.00 32.46 25.93 1s77 n ARG 551 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1s77 s ASP 552 N -2.20 6.24 0.22 0.55 3.68 0.45 -0.64 116.67 124.97 1s77 s ASP 552 Ca 0.00 0.68 0.03 0.00 2.13 0.00 0.00 52.55 55.39 1s77 s ASP 552 Cb 0.00 -2.54 0.21 0.00 -1.45 0.00 0.00 42.92 39.14 1s77 s ASP 552 CO 0.00 -1.54 1.54 -0.08 0.13 0.00 0.00 175.17 175.22 1s77 h GLU 553 N 10.98 0.30 0.59 4.34 4.81 -1.89 0.11 114.58 133.82 1s77 h GLU 553 Ca -0.27 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 1s77 h GLU 553 Cb 1.10 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.52 1s77 h GLU 553 CO 1.11 0.82 -0.28 0.28 -0.73 0.00 0.00 179.01 180.20 1s77 h VAL 554 N 0.22 0.39 -0.01 0.32 2.07 -1.98 -0.68 116.25 116.58 1s77 h VAL 554 Ca -0.01 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1s77 h VAL 554 Cb 1.12 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1s77 h VAL 554 CO 0.10 0.02 0.01 1.23 0.02 0.00 0.00 177.57 178.94 1s77 h GLY 555 N -0.88 0.02 -0.65 2.17 0.00 -1.84 -2.93 103.07 98.95 1s77 h GLY 555 Ca -0.08 -0.01 0.19 0.00 0.00 0.00 0.00 47.33 47.42 1s77 h GLY 555 CO 0.13 0.01 -0.12 -1.33 0.00 0.00 0.00 176.54 175.23 1s77 h GLY 556 N -0.11 0.76 0.50 4.60 0.00 -0.68 0.13 103.07 108.27 1s77 h GLY 556 Ca 0.00 0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.60 1s77 h GLY 556 CO -0.00 -0.34 -0.11 -0.09 0.00 0.00 0.00 176.54 175.99 1s77 h ARG 557 N 0.03 -0.11 -0.75 4.80 2.43 -0.93 0.72 114.38 120.56 1s77 h ARG 557 Ca 0.44 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.77 1s77 h ARG 557 Cb 0.74 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.26 1s77 h ARG 557 CO -0.83 -0.08 0.50 0.00 -1.51 0.00 0.00 179.97 178.06 1s77 h ALA 558 N 1.00 2.15 -0.76 2.80 0.00 -0.69 -2.00 119.26 121.76 1s77 h ALA 558 Ca 0.10 -0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.54 1s77 h ALA 558 Cb 0.26 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 17.74 1s77 h ALA 558 CO -0.23 -0.35 0.22 1.33 0.00 0.00 0.00 179.25 180.21 1s77 n VAL 559 N -4.47 3.01 -2.79 0.00 0.24 -0.66 -3.30 118.33 110.36 1s77 n VAL 559 Ca 0.14 -2.92 -0.17 0.00 -2.04 0.00 0.00 64.34 59.35 1s77 n VAL 559 Cb 0.55 -0.76 -0.00 0.00 -1.47 0.00 0.00 33.84 32.16 1s77 n VAL 559 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1s77 n ASN 560 N -0.99 -4.23 -0.11 -1.34 3.02 -0.75 -4.76 115.26 106.09 1s77 n ASN 560 Ca 0.50 -0.05 0.06 0.00 -0.03 0.00 0.00 54.58 55.06 1s77 n ASN 560 Cb 1.05 -3.53 0.34 0.00 -0.61 0.00 0.00 39.78 37.02 1s77 n ASN 560 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1s77 n LEU 561 N -3.25 0.33 -4.08 3.41 4.32 0.16 -3.49 117.00 114.40 1s77 n LEU 561 Ca -0.11 -0.15 -0.18 0.00 -0.02 0.00 0.00 56.01 55.56 1s77 n LEU 561 Cb 0.60 -0.03 -0.13 0.00 -1.62 0.00 0.00 43.42 42.23 1s77 n LEU 561 CO 0.32 0.07 -0.44 -0.76 -1.22 0.00 0.00 177.39 175.37 1s77 s LEU 562 N -1.36 2.15 0.34 2.23 1.43 -1.26 -3.70 118.68 118.50 1s77 s LEU 562 Ca 0.20 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 1s77 s LEU 562 Cb 0.09 -0.44 -0.12 0.00 0.03 0.00 0.00 46.19 45.75 1s77 s LEU 562 CO 0.15 -0.00 1.38 -0.81 0.23 0.00 0.00 176.35 177.30 1s77 n PRO 563 N 2.09 2.31 -3.63 1.29 -0.04 -1.26 -4.79 135.00 130.97 1s77 n PRO 563 Ca -0.18 0.81 -0.15 0.00 -0.04 0.00 0.00 63.50 63.95 1s77 n PRO 563 Cb 0.55 -2.46 -0.07 0.00 -0.04 0.00 0.00 33.50 31.48 1s77 n PRO 563 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1s77 s SER 564 N -0.14 -0.64 0.08 3.54 0.15 -1.26 -5.02 113.70 110.41 1s77 s SER 564 Ca 0.57 1.11 -0.16 0.00 0.70 0.00 0.00 55.95 58.17 1s77 s SER 564 Cb -0.55 1.10 -0.12 0.00 -1.71 0.00 0.00 66.02 64.74 1s77 s SER 564 CO 0.60 -0.32 1.36 -0.08 1.20 0.00 0.00 173.24 176.00 1s77 h GLU 565 N 4.59 0.63 -6.65 5.44 4.22 -2.01 -3.45 114.58 117.36 1s77 h GLU 565 Ca -0.28 -0.39 -0.48 0.00 0.08 0.00 0.00 59.36 58.29 1s77 h GLU 565 Cb 1.16 0.04 0.02 0.00 0.50 0.00 0.00 28.75 30.47 1s77 h GLU 565 CO 0.18 1.00 -0.10 -0.08 -2.18 0.00 0.00 179.01 177.83 1s77 s THR 566 N -4.13 4.95 -0.35 0.32 -1.32 -1.26 -4.66 115.64 109.19 1s77 s THR 566 Ca -0.12 -0.29 -0.14 0.00 -1.21 0.00 0.00 61.69 59.93 1s77 s THR 566 Cb 0.08 -3.83 -0.01 0.00 -1.51 0.00 0.00 72.50 67.22 1s77 s THR 566 CO 0.83 -0.62 0.29 0.54 -2.21 0.00 0.00 174.62 173.45 1s77 s VAL 567 N -2.45 5.24 0.22 5.08 0.11 -1.26 -4.98 120.40 122.35 1s77 s VAL 567 Ca 0.43 -0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 59.03 1s77 s VAL 567 Cb -0.10 -3.77 -0.08 0.00 -1.53 0.00 0.00 36.38 30.90 1s77 s VAL 567 CO 0.39 -0.06 1.14 -1.10 -3.33 0.00 0.00 175.10 172.13 1s77 s GLN 568 N 1.83 4.57 -0.32 1.54 -1.52 -1.26 -4.90 119.66 119.61 1s77 s GLN 568 Ca 0.08 1.81 -0.02 0.00 -1.95 0.00 0.00 55.36 55.28 1s77 s GLN 568 Cb -0.17 -3.23 0.11 0.00 -0.22 0.00 0.00 33.01 29.50 1s77 s GLN 568 CO 0.11 0.07 0.14 0.34 -0.25 0.00 0.00 175.29 175.70 1s77 s ASP 569 N -0.32 3.60 0.53 5.90 2.15 -1.25 -4.61 116.67 122.66 1s77 s ASP 569 Ca 0.49 -1.64 0.30 0.00 0.43 0.00 0.00 52.55 52.13 1s77 s ASP 569 Cb -0.32 -0.56 1.45 0.00 -0.30 0.00 0.00 42.92 43.20 1s77 s ASP 569 CO 0.38 -0.40 1.91 -0.29 -0.17 0.00 0.00 175.17 176.60 1s77 h ILE 570 N 6.12 0.59 -0.11 4.11 2.10 -1.95 0.26 117.51 128.62 1s77 h ILE 570 Ca -0.12 -0.01 -0.22 0.00 1.08 0.00 0.00 64.86 65.59 1s77 h ILE 570 Cb 1.00 0.57 0.01 0.00 -1.09 0.00 0.00 36.82 37.31 1s77 h ILE 570 CO 0.42 0.00 -0.80 1.88 -1.08 0.00 0.00 178.15 178.58 1s77 h TYR 571 N 0.02 1.02 -0.55 2.19 0.05 -1.92 -1.98 116.97 115.80 1s77 h TYR 571 Ca 0.40 -0.47 -0.07 0.00 0.05 0.00 0.00 58.73 58.63 1s77 h TYR 571 Cb 1.57 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 39.14 1s77 h TYR 571 CO -0.00 1.30 0.06 0.78 -1.05 0.00 0.00 178.16 179.25 1s77 h GLY 572 N 0.45 0.97 0.58 3.88 0.00 -1.32 0.06 103.07 107.68 1s77 h GLY 572 Ca -0.07 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 1s77 h GLY 572 CO 0.16 0.58 -0.40 -2.22 0.00 0.00 0.00 176.54 174.66 1s77 h ILE 573 N 0.84 0.00 -0.94 2.60 2.04 -1.01 -0.11 117.51 120.93 1s77 h ILE 573 Ca 0.17 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.27 1s77 h ILE 573 Cb 0.42 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.44 1s77 h ILE 573 CO 0.01 0.00 0.64 0.58 0.00 0.00 0.00 178.15 179.38 1s77 h VAL 574 N -0.93 0.60 -0.63 1.67 2.07 -1.19 0.14 116.25 117.97 1s77 h VAL 574 Ca -0.08 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 1s77 h VAL 574 Cb 0.76 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1s77 h VAL 574 CO 0.05 0.05 0.03 0.00 0.02 0.00 0.00 177.57 177.72 1s77 h ALA 575 N 1.58 0.84 0.10 1.67 0.00 0.03 -1.56 119.26 121.93 1s77 h ALA 575 Ca 0.49 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1s77 h ALA 575 Cb 1.45 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1s77 h ALA 575 CO -0.14 0.67 -0.05 0.87 0.00 0.00 0.00 179.25 180.59 1s77 h LYS 576 N 1.00 -0.13 -0.66 0.00 1.79 0.11 -0.96 116.57 117.71 1s77 h LYS 576 Ca 0.18 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.78 1s77 h LYS 576 Cb 0.53 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.12 1s77 h LYS 576 CO 0.03 0.10 0.21 0.87 -1.08 0.00 0.00 179.45 179.57 1s77 h LYS 577 N -0.34 0.34 -0.94 3.15 1.57 -1.37 0.27 116.57 119.25 1s77 h LYS 577 Ca -0.01 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1s77 h LYS 577 Cb 0.28 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1s77 h LYS 577 CO 0.02 0.23 0.62 0.28 -0.57 0.00 0.00 179.45 180.03 1s77 h VAL 578 N 0.35 1.21 -0.49 0.50 2.07 -1.07 -1.88 116.25 116.94 1s77 h VAL 578 Ca 0.35 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 67.31 1s77 h VAL 578 Cb 0.51 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1s77 h VAL 578 CO -0.39 0.23 -0.22 0.78 0.02 0.00 0.00 177.57 177.99 1s77 h ASN 579 N 1.24 1.03 -0.46 0.57 -0.26 0.82 0.14 115.58 118.66 1s77 h ASN 579 Ca 0.36 -0.39 0.06 0.00 -0.56 0.00 0.00 56.30 55.77 1s77 h ASN 579 Cb -0.08 -0.28 -0.05 0.00 -1.06 0.00 0.00 38.32 36.84 1s77 h ASN 579 CO -0.09 1.20 0.15 -0.33 -1.06 0.00 0.00 177.43 177.30 1s77 h GLU 580 N 0.86 0.30 0.41 0.81 5.08 -0.32 0.60 114.58 122.33 1s77 h GLU 580 Ca 0.11 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1s77 h GLU 580 Cb 0.80 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1s77 h GLU 580 CO 0.07 0.20 -0.31 0.82 -1.00 0.00 0.00 179.01 178.78 1s77 h ILE 581 N 0.31 0.00 -0.73 3.13 2.04 -0.99 0.21 117.51 121.48 1s77 h ILE 581 Ca 0.22 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.24 1s77 h ILE 581 Cb 0.23 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.19 1s77 h ILE 581 CO -0.24 0.00 0.09 -0.07 0.00 0.00 0.00 178.15 177.93 1s77 h LEU 582 N -0.70 -0.17 -0.42 1.44 3.38 -0.60 0.54 115.31 118.77 1s77 h LEU 582 Ca -0.05 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1s77 h LEU 582 Cb 0.58 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1s77 h LEU 582 CO 0.02 -0.11 0.20 1.56 0.09 0.00 0.00 178.44 180.20 1s77 h GLN 583 N 0.17 0.40 -0.20 1.13 1.08 0.48 0.21 115.11 118.38 1s77 h GLN 583 Ca 0.41 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.56 1s77 h GLN 583 Cb 0.71 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1s77 h GLN 583 CO -0.58 0.27 0.05 0.00 -0.95 0.00 0.00 178.83 177.62 1s77 h ALA 584 N 1.23 0.27 0.00 3.87 0.00 0.24 -2.66 119.26 122.21 1s77 h ALA 584 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1s77 h ALA 584 Cb 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1s77 h ALA 584 CO -0.14 -0.09 -0.05 -0.44 0.00 0.00 0.00 179.25 178.53 1s77 h ASP 585 N 0.15 0.00 0.68 0.00 3.45 0.21 -2.87 116.42 118.04 1s77 h ASP 585 Ca 0.06 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.49 1s77 h ASP 585 Cb 0.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1s77 h ASP 585 CO -0.00 0.05 -0.37 0.00 -1.57 0.00 0.00 179.24 177.35 1s77 h ALA 586 N 1.95 -1.23 -0.09 3.45 0.00 -0.21 -2.80 119.26 120.33 1s77 h ALA 586 Ca -0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 1s77 h ALA 586 Cb 0.41 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1s77 h ALA 586 CO 0.01 -1.18 -0.80 -0.84 0.00 0.00 0.00 179.25 176.44 1s77 h ILE 587 N -0.97 1.34 -2.16 0.00 3.07 -1.59 -3.42 117.51 113.78 1s77 h ILE 587 Ca -0.09 -2.14 -0.50 0.00 1.55 0.00 0.00 64.86 63.68 1s77 h ILE 587 Cb 0.76 2.13 -0.34 0.00 -0.27 0.00 0.00 36.82 39.10 1s77 h ILE 587 CO 0.13 0.65 -0.85 0.54 -1.05 0.00 0.00 178.15 177.57 1s77 s ASN 588 N -7.05 1.25 -0.47 2.16 6.03 -1.08 -5.03 114.94 110.75 1s77 s ASN 588 Ca -0.07 -2.52 0.06 0.00 -1.03 0.00 0.00 52.86 49.30 1s77 s ASN 588 Cb 0.09 0.03 0.20 0.00 -3.03 0.00 0.00 41.25 38.55 1s77 s ASN 588 CO 0.87 -0.19 0.64 0.61 -2.03 0.00 0.00 177.10 177.00 1s77 n GLY 589 N 3.27 0.60 1.01 0.45 0.00 -1.07 -4.64 105.19 104.81 1s77 n GLY 589 Ca 0.23 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.08 1s77 n GLY 589 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s77 n THR 590 N 2.49 -0.23 -4.50 2.61 -2.24 -1.26 -2.24 114.28 108.90 1s77 n THR 590 Ca 0.20 0.37 -0.25 0.00 -2.27 0.00 0.00 64.05 62.10 1s77 n THR 590 Cb 0.55 -0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 68.06 1s77 n THR 590 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1s77 s ASP 591 N -5.68 2.73 0.23 3.42 1.47 -1.26 -4.15 116.67 113.44 1s77 s ASP 591 Ca 0.00 -1.67 -0.30 0.00 1.18 0.00 0.00 52.55 51.76 1s77 s ASP 591 Cb 0.00 0.49 -0.09 0.00 -0.34 0.00 0.00 42.92 42.98 1s77 s ASP 591 CO 0.00 -0.93 1.23 0.20 0.68 0.00 0.00 175.17 176.35 1s77 s ASN 592 N -3.59 7.01 -0.15 2.11 0.02 -1.26 -4.00 114.94 115.07 1s77 s ASN 592 Ca 0.25 2.36 0.01 0.00 -1.02 0.00 0.00 52.86 54.45 1s77 s ASN 592 Cb 0.03 -2.62 -0.00 0.00 0.02 0.00 0.00 41.25 38.68 1s77 s ASN 592 CO 0.15 -0.40 -0.16 -1.61 0.02 0.00 0.00 177.10 175.09 1s77 s GLU 593 N -0.64 3.20 0.00 -0.60 0.41 -1.16 -4.89 118.70 115.01 1s77 s GLU 593 Ca 0.52 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 54.32 1s77 s GLU 593 Cb -0.35 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 29.41 1s77 s GLU 593 CO 0.40 0.03 0.00 0.28 -0.49 0.00 0.00 175.26 175.48 1s77 n VAL 594 N 4.01 0.00 0.00 2.63 0.31 -1.26 -2.09 118.33 121.93 1s77 n VAL 594 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1s77 n VAL 594 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1s77 n VAL 594 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1s77 n VAL 609 N 0.00 0.00 -1.49 2.52 0.31 -1.26 -5.08 118.33 113.33 1s77 n VAL 609 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 1s77 n VAL 609 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1s77 n VAL 609 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1s77 n LYS 610 N -1.43 0.87 -1.69 5.55 4.81 -0.89 -4.85 118.16 120.54 1s77 n LYS 610 Ca 0.00 0.15 -0.51 0.00 -0.87 0.00 0.00 58.31 57.07 1s77 n LYS 610 Cb 0.00 -2.58 -0.06 0.00 0.02 0.00 0.00 35.03 32.41 1s77 n LYS 610 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1s77 n LEU 611 N 11.90 3.03 0.00 3.14 4.77 -1.26 -3.01 117.00 135.56 1s77 n LEU 611 Ca 0.45 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.44 1s77 n LEU 611 Cb 0.29 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1s77 n LEU 611 CO 0.78 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1s77 n GLY 612 N 4.24 -0.54 0.00 -0.72 0.00 -1.26 -4.87 105.19 102.04 1s77 n GLY 612 Ca 0.24 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1s77 n GLY 612 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s77 n THR 613 N -1.47 0.00 0.00 2.61 -1.04 -1.23 -2.49 114.28 110.66 1s77 n THR 613 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1s77 n THR 613 Cb 0.00 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 1s77 n THR 613 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1s77 n LYS 614 N -0.74 0.00 0.13 -2.82 4.81 -0.95 -3.30 118.16 115.29 1s77 n LYS 614 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1s77 n LYS 614 Cb 0.00 0.00 0.22 0.00 0.02 0.00 0.00 35.03 35.27 1s77 n LYS 614 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s77 h ALA 615 N 0.00 1.09 -0.08 3.14 0.00 -1.82 0.24 119.26 121.84 1s77 h ALA 615 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 1s77 h ALA 615 Cb 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1s77 h ALA 615 CO 0.00 0.64 -0.78 1.25 0.00 0.00 0.00 179.25 180.36 1s77 h LEU 616 N 0.08 0.82 -0.35 0.00 5.85 -1.47 -2.89 115.31 117.35 1s77 h LEU 616 Ca 0.00 -0.68 -0.10 0.00 0.84 0.00 0.00 57.88 57.94 1s77 h LEU 616 Cb 0.92 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1s77 h LEU 616 CO 0.07 1.38 -0.16 0.00 -0.34 0.00 0.00 178.44 179.40 1s77 h ALA 617 N 0.46 0.49 -0.61 1.25 0.00 -1.77 -2.94 119.26 116.13 1s77 h ALA 617 Ca -0.08 -0.34 0.10 0.00 0.00 0.00 0.00 54.91 54.59 1s77 h ALA 617 Cb 1.44 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1s77 h ALA 617 CO 0.16 0.41 0.21 0.78 0.00 0.00 0.00 179.25 180.81 1s77 h GLY 618 N 0.51 0.85 0.25 0.00 0.00 -0.56 0.38 103.07 104.51 1s77 h GLY 618 Ca 0.08 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.36 1s77 h GLY 618 CO 0.05 -0.04 -0.21 1.46 0.00 0.00 0.00 176.54 177.80 1s77 h GLN 619 N 0.38 -0.22 -0.37 4.80 4.20 -1.35 1.12 115.11 123.67 1s77 h GLN 619 Ca 0.31 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 1s77 h GLN 619 Cb 0.41 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1s77 h GLN 619 CO -0.33 -0.14 -0.01 -1.49 -0.67 0.00 0.00 178.83 176.18 1s77 h TRP 620 N -0.23 0.62 -0.49 2.96 4.06 -1.15 0.12 115.95 121.84 1s77 h TRP 620 Ca 0.13 -0.07 -0.10 0.00 2.06 0.00 0.00 58.89 60.91 1s77 h TRP 620 Cb 0.42 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 1s77 h TRP 620 CO -0.35 0.61 -0.08 -0.07 -3.56 0.00 0.00 178.44 174.99 1s77 h LEU 621 N 0.56 0.87 -0.81 -4.49 3.38 0.12 -1.56 115.31 113.38 1s77 h LEU 621 Ca 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1s77 h LEU 621 Cb 0.38 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1s77 h LEU 621 CO 0.01 0.97 0.39 0.00 0.09 0.00 0.00 178.44 179.91 1s77 h ALA 622 N 1.11 1.04 -3.00 1.53 0.00 0.22 -3.38 119.26 116.79 1s77 h ALA 622 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1s77 h ALA 622 Cb 0.58 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1s77 h ALA 622 CO 0.04 0.61 0.00 0.98 0.00 0.00 0.00 179.25 180.88 1s77 n TYR 623 N -4.34 0.00 -2.37 0.00 9.36 0.32 -5.01 117.16 115.12 1s77 n TYR 623 Ca 0.08 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.30 1s77 n TYR 623 Cb 0.14 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.85 1s77 n TYR 623 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1s77 n GLY 624 N 0.20 -0.85 1.58 2.98 0.00 -1.07 -5.05 105.19 102.98 1s77 n GLY 624 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1s77 n GLY 624 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s77 n VAL 625 N -0.04 0.00 -4.52 1.61 0.31 -1.25 -4.91 118.33 109.53 1s77 n VAL 625 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.07 1s77 n VAL 625 Cb 0.48 -0.24 -0.06 0.00 -0.91 0.00 0.00 33.84 33.10 1s77 n VAL 625 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1s77 n THR 626 N 3.21 0.00 -0.27 2.52 -2.24 -1.26 -4.99 114.28 111.24 1s77 n THR 626 Ca 0.27 -2.19 0.23 0.00 -2.27 0.00 0.00 64.05 60.10 1s77 n THR 626 Cb -0.01 0.69 0.56 0.00 -2.10 0.00 0.00 70.33 69.47 1s77 n THR 626 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1s77 h ARG 627 N 0.00 0.30 -0.97 -0.78 0.11 -1.90 -1.23 114.38 109.91 1s77 h ARG 627 Ca -0.32 -0.02 0.04 0.00 0.10 0.00 0.00 59.98 59.79 1s77 h ARG 627 Cb 1.13 -0.07 -0.06 0.00 1.11 0.00 0.00 29.97 32.09 1s77 h ARG 627 CO 0.51 0.20 0.64 0.66 0.10 0.00 0.00 179.97 182.07 1s77 h SER 628 N 0.30 1.05 -0.06 0.08 4.64 -1.95 -1.11 113.55 116.50 1s77 h SER 628 Ca 0.52 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.75 1s77 h SER 628 Cb 1.49 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1s77 h SER 628 CO -0.18 0.71 -0.19 0.58 -0.87 0.00 0.00 176.83 176.88 1s77 h VAL 629 N 1.21 1.24 0.00 0.95 2.07 -1.61 -3.17 116.25 116.94 1s77 h VAL 629 Ca 0.39 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1s77 h VAL 629 Cb 0.03 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1s77 h VAL 629 CO -0.13 0.35 -1.00 0.35 0.02 0.00 0.00 177.57 177.16 1s77 n THR 630 N -4.17 0.47 0.00 2.57 -2.24 -0.96 -4.72 114.28 105.23 1s77 n THR 630 Ca -0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1s77 n THR 630 Cb 0.35 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1s77 n THR 630 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1s77 n LYS 631 N -2.45 0.00 -0.27 -0.78 4.81 -0.46 -1.63 118.16 117.38 1s77 n LYS 631 Ca 0.01 0.34 -0.06 0.00 -0.87 0.00 0.00 58.31 57.73 1s77 n LYS 631 Cb 0.52 -0.76 -0.04 0.00 0.02 0.00 0.00 35.03 34.76 1s77 n LYS 631 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1s77 n ARG 632 N -0.73 -0.26 -0.32 1.64 5.12 -1.26 -0.58 116.66 120.27 1s77 n ARG 632 Ca 0.00 0.99 0.00 0.00 -1.93 0.00 0.00 57.85 56.91 1s77 n ARG 632 Cb 0.00 -1.46 0.18 0.00 -1.16 0.00 0.00 32.46 30.01 1s77 n ARG 632 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1s77 h SER 633 N 0.00 1.02 -0.29 0.55 0.02 -1.82 0.11 113.55 113.15 1s77 h SER 633 Ca 0.13 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 1s77 h SER 633 Cb 0.30 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1s77 h SER 633 CO -0.62 0.72 -0.33 0.58 -1.14 0.00 0.00 176.83 176.04 1s77 h VAL 634 N 1.20 1.28 -0.23 2.27 2.07 0.13 -1.75 116.25 121.22 1s77 h VAL 634 Ca 0.35 -1.49 -0.16 0.00 0.82 0.00 0.00 66.70 66.22 1s77 h VAL 634 Cb -0.06 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1s77 h VAL 634 CO -0.09 0.49 -0.51 -0.03 0.02 0.00 0.00 177.57 177.45 1s77 h MET 635 N 0.68 0.63 0.00 1.57 -1.53 -0.72 -3.32 114.93 112.24 1s77 h MET 635 Ca 0.07 -0.38 -0.08 0.00 -3.44 0.00 0.00 59.70 55.87 1s77 h MET 635 Cb 0.88 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.95 1s77 h MET 635 CO 0.08 0.99 -1.11 1.79 0.14 0.00 0.00 176.91 178.80 1s77 h THR 636 N 0.50 0.27 -0.66 -0.77 1.35 -0.75 -3.40 112.91 109.45 1s77 h THR 636 Ca 0.02 -1.51 0.06 0.00 -0.55 0.00 0.00 66.41 64.43 1s77 h THR 636 Cb 1.06 1.81 -0.08 0.00 -1.73 0.00 0.00 68.15 69.21 1s77 h THR 636 CO 0.10 0.15 -0.39 -0.11 -0.25 0.00 0.00 175.52 175.03 1s77 n LEU 637 N -2.82 -0.69 0.00 3.87 7.94 -0.66 0.11 117.00 124.73 1s77 n LEU 637 Ca -0.04 1.49 0.04 0.00 -1.11 0.00 0.00 56.01 56.39 1s77 n LEU 637 Cb 0.69 -0.31 0.24 0.00 0.53 0.00 0.00 43.42 44.56 1s77 n LEU 637 CO 0.41 -1.11 0.46 0.00 -1.11 0.00 0.00 177.39 176.04 1s77 n ALA 638 N -3.17 1.80 0.75 1.96 0.00 -1.26 -0.33 120.51 120.27 1s77 n ALA 638 Ca 0.01 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1s77 n ALA 638 Cb 0.17 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.37 1s77 n ALA 638 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s77 n TYR 639 N -0.98 0.00 0.00 0.00 4.01 0.29 -4.69 117.16 115.79 1s77 n TYR 639 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1s77 n TYR 639 Cb 0.03 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1s77 n TYR 639 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s77 n GLY 640 N 1.44 0.93 3.68 2.72 0.00 0.55 -4.44 105.19 110.08 1s77 n GLY 640 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1s77 n GLY 640 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s77 s SER 641 N -0.29 6.77 0.54 1.61 0.15 -0.96 -4.99 113.70 116.53 1s77 s SER 641 Ca 0.00 2.16 0.08 0.00 0.70 0.00 0.00 55.95 58.90 1s77 s SER 641 Cb 0.00 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.82 1s77 s SER 641 CO 0.00 -0.81 0.74 -0.54 1.20 0.00 0.00 173.24 173.83 1s77 s LYS 642 N 3.02 2.43 0.29 5.44 -0.14 -1.26 -4.32 119.74 125.20 1s77 s LYS 642 Ca 0.67 -1.46 0.04 0.00 -1.36 0.00 0.00 55.97 53.86 1s77 s LYS 642 Cb -0.32 -2.66 0.71 0.00 -1.68 0.00 0.00 37.83 33.88 1s77 s LYS 642 CO 0.27 -0.72 1.74 1.49 -0.76 0.00 0.00 175.35 177.37 1s77 h GLU 643 N 0.27 0.57 0.00 1.68 4.81 -1.94 0.63 114.58 120.60 1s77 h GLU 643 Ca -0.34 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.82 1s77 h GLU 643 Cb 1.28 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1s77 h GLU 643 CO 0.42 0.37 -0.18 0.35 -0.73 0.00 0.00 179.01 179.25 1s77 h PHE 644 N 0.58 0.00 0.31 0.92 3.57 -1.94 -2.27 116.94 118.12 1s77 h PHE 644 Ca 0.56 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.04 1s77 h PHE 644 Cb 0.95 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1s77 h PHE 644 CO -0.07 0.18 -0.15 0.78 -2.23 0.00 0.00 178.31 176.82 1s77 h GLY 645 N 1.10 -0.44 -0.42 2.40 0.00 -0.11 -3.13 103.07 102.47 1s77 h GLY 645 Ca -0.00 0.16 0.23 0.00 0.00 0.00 0.00 47.33 47.72 1s77 h GLY 645 CO 0.02 -0.16 0.22 0.74 0.00 0.00 0.00 176.54 177.37 1s77 h PHE 646 N -0.74 0.33 -0.27 5.60 0.05 -0.80 -0.22 116.94 120.89 1s77 h PHE 646 Ca -0.04 0.05 0.06 0.00 3.82 0.00 0.00 57.97 61.86 1s77 h PHE 646 Cb 0.50 -0.01 -0.07 0.00 2.00 0.00 0.00 35.95 38.37 1s77 h PHE 646 CO 0.02 -0.20 -0.23 -0.09 -0.18 0.00 0.00 178.31 177.63 1s77 h ARG 647 N 0.21 -0.22 -0.63 1.51 2.43 -1.39 0.65 114.38 116.95 1s77 h ARG 647 Ca 0.54 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 1s77 h ARG 647 Cb 1.07 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1s77 h ARG 647 CO -0.65 -0.14 0.40 0.37 -1.51 0.00 0.00 179.97 178.44 1s77 h GLN 648 N -0.22 0.84 0.84 0.20 -0.00 -1.08 0.10 115.11 115.79 1s77 h GLN 648 Ca 0.15 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.69 1s77 h GLN 648 Cb 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 27.75 1s77 h GLN 648 CO -0.40 0.57 -0.44 1.96 0.00 0.00 0.00 178.83 180.53 1s77 h GLN 649 N 0.85 -1.13 -0.46 1.69 4.20 -0.17 0.18 115.11 120.28 1s77 h GLN 649 Ca 0.23 0.08 0.07 0.00 0.06 0.00 0.00 58.65 59.08 1s77 h GLN 649 Cb -0.07 0.26 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 1s77 h GLN 649 CO -0.05 -0.75 0.13 -0.24 -0.67 0.00 0.00 178.83 177.25 1s77 h VAL 650 N -1.17 0.81 0.12 -0.54 3.04 0.31 1.07 116.25 119.89 1s77 h VAL 650 Ca -0.11 -0.10 0.01 0.00 -1.01 0.00 0.00 66.70 65.49 1s77 h VAL 650 Cb 0.91 0.50 -0.04 0.00 -2.01 0.00 0.00 31.29 30.65 1s77 h VAL 650 CO 0.16 0.05 -0.48 0.25 -1.01 0.00 0.00 177.57 176.55 1s77 h LEU 651 N 0.29 -1.43 -0.09 3.16 5.85 -0.82 -0.36 115.31 121.90 1s77 h LEU 651 Ca 0.22 0.15 -0.25 0.00 0.84 0.00 0.00 57.88 58.84 1s77 h LEU 651 Cb 0.25 0.52 0.01 0.00 0.37 0.00 0.00 40.66 41.82 1s77 h LEU 651 CO -0.25 -0.51 -0.98 -0.08 -0.34 0.00 0.00 178.44 176.28 1s77 h GLU 652 N -0.69 0.59 -0.07 1.25 4.57 -0.32 1.69 114.58 121.60 1s77 h GLU 652 Ca -0.01 -0.62 -0.17 0.00 -1.18 0.00 0.00 59.36 57.38 1s77 h GLU 652 Cb 0.69 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1s77 h GLU 652 CO -0.25 1.23 -0.70 -0.44 -1.18 0.00 0.00 179.01 177.67 1s77 h ASP 653 N 0.34 0.41 0.00 1.04 5.19 0.12 -3.37 116.42 120.16 1s77 h ASP 653 Ca -0.10 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1s77 h ASP 653 Cb 1.62 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 41.01 1s77 h ASP 653 CO 0.18 0.98 -0.65 0.35 -3.12 0.00 0.00 179.24 176.98 1s77 n THR 654 N -3.84 0.00 -0.04 0.35 -2.24 -0.24 -4.78 114.28 103.49 1s77 n THR 654 Ca -0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1s77 n THR 654 Cb 0.69 -0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1s77 n THR 654 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1s77 h ILE 655 N 0.00 0.03 -0.71 2.28 2.04 -0.91 -2.72 117.51 117.51 1s77 h ILE 655 Ca 0.00 -1.00 0.15 0.00 1.00 0.00 0.00 64.86 65.00 1s77 h ILE 655 Cb 0.65 0.05 -0.13 0.00 -0.74 0.00 0.00 36.82 36.65 1s77 h ILE 655 CO 0.00 0.01 -0.15 -0.61 0.00 0.00 0.00 178.15 177.40 1s77 h GLN 656 N -1.01 0.02 -0.17 2.37 5.75 0.23 0.48 115.11 122.78 1s77 h GLN 656 Ca -0.00 -0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 1s77 h GLN 656 Cb 0.03 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 1s77 h GLN 656 CO 0.00 0.01 -0.29 -1.00 -2.65 0.00 0.00 178.83 174.91 1s77 h PRO 657 N 0.02 0.50 -0.71 -2.39 0.13 -1.74 -2.65 132.00 125.16 1s77 h PRO 657 Ca 0.35 -0.31 0.12 0.00 -0.87 0.00 0.00 66.00 65.29 1s77 h PRO 657 Cb 0.55 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.63 1s77 h PRO 657 CO -0.71 0.91 0.31 0.00 -0.23 0.00 0.00 178.00 178.28 1s77 h ALA 658 N 0.59 0.98 0.04 -0.56 0.00 -1.05 -1.53 119.26 117.73 1s77 h ALA 658 Ca 0.01 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1s77 h ALA 658 Cb 0.87 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1s77 h ALA 658 CO 0.07 -0.14 -0.14 0.82 0.00 0.00 0.00 179.25 179.85 1s77 h ILE 659 N 0.50 0.66 -0.75 0.00 2.04 -0.86 -1.37 117.51 117.73 1s77 h ILE 659 Ca 0.37 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.39 1s77 h ILE 659 Cb 0.49 0.66 -0.11 0.00 -0.74 0.00 0.00 36.82 37.12 1s77 h ILE 659 CO -0.34 0.00 0.23 0.44 0.00 0.00 0.00 178.15 178.48 1s77 h ASP 660 N -0.25 0.10 0.70 1.72 3.45 -0.92 0.34 116.42 121.56 1s77 h ASP 660 Ca 0.04 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.63 1s77 h ASP 660 Cb 0.29 0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1s77 h ASP 660 CO -0.11 -0.00 -0.02 -1.54 -1.57 0.00 0.00 179.24 176.00 1s77 n SER 661 N -5.11 0.03 0.00 6.45 3.41 -0.99 -4.91 113.62 112.50 1s77 n SER 661 Ca 0.15 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1s77 n SER 661 Cb 0.47 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1s77 n SER 661 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s77 n GLY 662 N 1.36 0.56 1.44 5.00 0.00 0.12 -4.93 105.19 108.74 1s77 n GLY 662 Ca 0.12 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.93 1s77 n GLY 662 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s77 n LYS 663 N -2.82 3.62 -0.70 1.61 4.01 -0.57 -3.98 118.16 119.34 1s77 n LYS 663 Ca 0.00 -2.25 0.04 0.00 -0.51 0.00 0.00 58.31 55.59 1s77 n LYS 663 Cb 0.00 -1.97 0.06 0.00 -0.51 0.00 0.00 35.03 32.61 1s77 n LYS 663 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1s77 n GLY 664 N 0.58 2.20 2.25 0.72 0.00 -1.21 -4.89 105.19 104.85 1s77 n GLY 664 Ca 0.20 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 1s77 n GLY 664 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s77 n LEU 665 N -0.32 1.65 -2.62 0.99 4.77 -1.26 -2.55 117.00 117.66 1s77 n LEU 665 Ca 0.08 -1.23 -0.02 0.00 -0.03 0.00 0.00 56.01 54.80 1s77 n LEU 665 Cb 0.81 -0.43 0.12 0.00 -2.33 0.00 0.00 43.42 41.59 1s77 n LEU 665 CO -0.01 0.22 0.61 1.15 -1.33 0.00 0.00 177.39 178.02 1s77 n MET 666 N 2.65 1.28 0.00 3.23 0.00 -1.26 -4.93 117.12 118.09 1s77 n MET 666 Ca 0.11 -1.22 0.00 0.00 0.00 0.00 0.00 57.70 56.59 1s77 n MET 666 Cb 0.26 0.36 0.00 0.00 0.00 0.00 0.00 33.22 33.84 1s77 n MET 666 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1s77 n PHE 667 N -1.38 0.00 -2.26 3.17 3.72 -1.06 -4.80 117.46 114.85 1s77 n PHE 667 Ca -0.16 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.08 1s77 n PHE 667 Cb 0.86 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.41 1s77 n PHE 667 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1s77 n THR 668 N -1.12 -1.63 -0.85 4.37 -2.24 -1.26 -4.34 114.28 107.21 1s77 n THR 668 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1s77 n THR 668 Cb 0.00 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 1s77 n THR 668 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1s77 n GLN 669 N -0.30 0.00 -0.31 -0.78 7.27 -1.26 -4.92 117.38 117.08 1s77 n GLN 669 Ca -0.06 0.34 0.10 0.00 0.07 0.00 0.00 57.00 57.45 1s77 n GLN 669 Cb 0.30 -0.51 0.27 0.00 2.41 0.00 0.00 30.24 32.71 1s77 n GLN 669 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1s77 h PRO 670 N 0.00 0.61 -6.91 3.69 0.13 -2.00 -3.36 132.00 124.16 1s77 h PRO 670 Ca 0.00 -0.04 -0.40 0.00 -0.87 0.00 0.00 66.00 64.69 1s77 h PRO 670 Cb 0.00 -0.14 0.22 0.00 0.13 0.00 0.00 31.00 31.21 1s77 h PRO 670 CO 0.00 0.40 -0.27 0.09 -0.23 0.00 0.00 178.00 178.00 1s77 n ASN 671 N -4.87 -2.71 0.00 1.44 4.13 -1.26 -0.30 115.26 111.70 1s77 n ASN 671 Ca 0.20 -0.40 0.00 0.00 1.68 0.00 0.00 54.58 56.06 1s77 n ASN 671 Cb 0.51 -1.09 0.00 0.00 -1.54 0.00 0.00 39.78 37.66 1s77 n ASN 671 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s77 n GLN 672 N -4.54 0.00 -0.34 3.52 6.02 -1.26 -3.77 117.38 117.01 1s77 n GLN 672 Ca 0.05 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.14 1s77 n GLN 672 Cb 0.56 0.00 0.29 0.00 1.02 0.00 0.00 30.24 32.11 1s77 n GLN 672 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s77 h ALA 673 N 0.00 1.63 0.02 -1.58 0.00 -1.64 0.78 119.26 118.47 1s77 h ALA 673 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1s77 h ALA 673 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1s77 h ALA 673 CO 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 179.25 179.34 1s77 h ALA 674 N 1.57 -0.03 -0.67 0.00 0.00 -0.75 -2.46 119.26 116.93 1s77 h ALA 674 Ca 0.50 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1s77 h ALA 674 Cb 0.63 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1s77 h ALA 674 CO -0.28 -0.05 0.44 0.78 0.00 0.00 0.00 179.25 180.15 1s77 h GLY 675 N -0.95 0.82 0.70 0.00 0.00 -1.73 0.65 103.07 102.55 1s77 h GLY 675 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1s77 h GLY 675 CO 0.00 0.17 -0.09 -1.82 0.00 0.00 0.00 176.54 174.81 1s77 h TYR 676 N 0.62 -0.23 -0.79 5.60 3.20 0.48 -1.94 116.97 123.91 1s77 h TYR 676 Ca 0.30 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.19 1s77 h TYR 676 Cb 0.36 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.66 1s77 h TYR 676 CO -0.00 0.09 0.51 1.98 -1.64 0.00 0.00 178.16 179.10 1s77 h MET 677 N -0.55 0.98 -0.71 1.82 4.05 -0.80 -1.57 114.93 118.16 1s77 h MET 677 Ca -0.02 -0.06 0.10 0.00 -0.28 0.00 0.00 59.70 59.43 1s77 h MET 677 Cb 0.41 -0.22 -0.05 0.00 -0.80 0.00 0.00 31.60 30.94 1s77 h MET 677 CO 0.04 0.65 0.47 0.00 0.23 0.00 0.00 176.91 178.30 1s77 h ALA 678 N 1.32 1.88 0.03 0.39 0.00 0.42 -1.70 119.26 121.60 1s77 h ALA 678 Ca 0.31 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.95 1s77 h ALA 678 Cb -0.03 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.65 1s77 h ALA 678 CO -0.10 -0.03 -1.07 -0.22 0.00 0.00 0.00 179.25 177.83 1s77 h LYS 679 N 0.59 0.58 -0.50 0.00 3.64 -0.49 -2.13 116.57 118.25 1s77 h LYS 679 Ca 0.33 -0.66 -0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1s77 h LYS 679 Cb 0.50 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1s77 h LYS 679 CO -0.11 1.27 0.07 -0.07 -2.27 0.00 0.00 179.45 178.33 1s77 h LEU 680 N 0.30 0.81 -0.91 5.20 3.38 -0.99 -1.29 115.31 121.80 1s77 h LEU 680 Ca -0.13 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1s77 h LEU 680 Cb 1.72 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 1s77 h LEU 680 CO 0.20 0.87 0.29 0.40 0.09 0.00 0.00 178.44 180.29 1s77 h ILE 681 N 0.71 1.25 0.33 1.22 2.04 -1.37 0.37 117.51 122.05 1s77 h ILE 681 Ca 0.15 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1s77 h ILE 681 Cb 0.42 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1s77 h ILE 681 CO 0.01 0.32 -0.16 -0.25 0.00 0.00 0.00 178.15 178.07 1s77 h TRP 682 N 1.06 -0.41 0.00 1.37 2.91 -1.10 0.65 115.95 120.43 1s77 h TRP 682 Ca 0.24 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.24 1s77 h TRP 682 Cb 0.21 0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 28.99 1s77 h TRP 682 CO 0.02 -0.09 -0.09 0.93 -1.03 0.00 0.00 178.44 178.18 1s77 h GLU 683 N -0.73 0.00 0.12 2.65 5.08 -1.15 0.56 114.58 121.11 1s77 h GLU 683 Ca -0.04 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.09 1s77 h GLU 683 Cb 0.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1s77 h GLU 683 CO 0.07 0.09 -1.12 0.77 -1.00 0.00 0.00 179.01 177.83 1s77 h SER 684 N 0.00 0.39 0.33 1.42 0.02 -0.78 -3.24 113.55 111.68 1s77 h SER 684 Ca -0.00 -0.88 -0.09 0.00 -0.84 0.00 0.00 61.79 59.98 1s77 h SER 684 Cb 0.18 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1s77 h SER 684 CO 0.01 1.50 -0.38 1.62 -1.14 0.00 0.00 176.83 178.44 1s77 h VAL 685 N -0.39 1.29 -0.35 2.27 3.04 0.50 -3.07 116.25 119.54 1s77 h VAL 685 Ca -0.23 -1.37 -0.05 0.00 -1.01 0.00 0.00 66.70 64.04 1s77 h VAL 685 Cb 1.67 1.69 -0.01 0.00 -2.01 0.00 0.00 31.29 32.62 1s77 h VAL 685 CO 0.08 0.40 0.03 0.28 -1.01 0.00 0.00 177.57 177.35 1s77 h SER 686 N 0.07 0.59 0.00 3.17 0.02 -1.01 -1.33 113.55 115.06 1s77 h SER 686 Ca 0.01 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1s77 h SER 686 Cb 0.72 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1s77 h SER 686 CO 0.05 0.73 0.00 1.33 -1.14 0.00 0.00 176.83 177.80 1s77 n VAL 687 N -4.54 0.00 0.00 2.27 0.24 -1.16 -3.56 118.33 111.58 1s77 n VAL 687 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1s77 n VAL 687 Cb 0.25 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1s77 n VAL 687 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1s77 n THR 688 N -0.32 0.00 -3.34 3.34 -1.04 -0.92 -4.99 114.28 107.00 1s77 n THR 688 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.57 1s77 n THR 688 Cb 0.03 -0.98 -0.07 0.00 -1.82 0.00 0.00 70.33 67.49 1s77 n THR 688 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1s77 s VAL 689 N -1.94 5.18 0.11 12.58 1.01 -0.55 -4.73 120.40 132.06 1s77 s VAL 689 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1s77 s VAL 689 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1s77 s VAL 689 CO 0.00 -0.65 0.00 1.33 0.00 0.00 0.00 175.10 175.78 1s77 n VAL 690 N 5.27 0.83 -0.25 2.92 0.24 -1.26 -4.40 118.33 121.68 1s77 n VAL 690 Ca -0.12 0.27 0.06 0.00 -2.04 0.00 0.00 64.34 62.51 1s77 n VAL 690 Cb 0.43 -1.39 0.18 0.00 -1.47 0.00 0.00 33.84 31.60 1s77 n VAL 690 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1s77 h ALA 691 N 0.00 0.92 0.16 2.33 0.00 -1.98 0.20 119.26 120.89 1s77 h ALA 691 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1s77 h ALA 691 Cb 0.16 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1s77 h ALA 691 CO 0.00 -0.36 -0.51 0.00 0.00 0.00 0.00 179.25 178.38 1s77 h ALA 692 N 1.63 -0.97 -0.86 0.00 0.00 -1.90 0.43 119.26 117.59 1s77 h ALA 692 Ca 0.42 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.37 1s77 h ALA 692 Cb 0.72 0.86 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 1s77 h ALA 692 CO -0.54 -1.11 0.56 0.28 0.00 0.00 0.00 179.25 178.44 1s77 h VAL 693 N -0.77 0.79 -0.28 0.00 2.07 -1.16 0.64 116.25 117.54 1s77 h VAL 693 Ca -0.01 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1s77 h VAL 693 Cb 0.76 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1s77 h VAL 693 CO -0.26 0.10 0.08 -0.33 0.02 0.00 0.00 177.57 177.18 1s77 h GLU 694 N 0.57 0.44 -0.50 1.57 5.08 0.11 -0.79 114.58 121.07 1s77 h GLU 694 Ca 0.44 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.65 1s77 h GLU 694 Cb 0.85 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1s77 h GLU 694 CO -0.18 0.51 0.12 0.00 -1.00 0.00 0.00 179.01 178.45 1s77 h ALA 695 N 0.92 1.27 0.85 3.43 0.00 0.33 -1.01 119.26 125.06 1s77 h ALA 695 Ca 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1s77 h ALA 695 Cb 0.25 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1s77 h ALA 695 CO -0.00 0.51 -0.41 1.98 0.00 0.00 0.00 179.25 181.33 1s77 h MET 696 N 0.73 -1.11 -0.86 0.00 1.85 0.43 -2.16 114.93 113.81 1s77 h MET 696 Ca 0.16 0.08 0.21 0.00 -0.61 0.00 0.00 59.70 59.54 1s77 h MET 696 Cb 0.28 0.25 -0.05 0.00 0.43 0.00 0.00 31.60 32.51 1s77 h MET 696 CO -0.00 -0.73 0.59 -0.91 -0.40 0.00 0.00 176.91 175.45 1s77 h ASN 697 N -1.24 0.26 -0.39 1.39 -0.26 -0.94 0.30 115.58 114.70 1s77 h ASN 697 Ca -0.12 0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.58 1s77 h ASN 697 Cb 0.89 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.11 1s77 h ASN 697 CO 0.19 0.11 -0.02 -0.25 -1.06 0.00 0.00 177.43 176.40 1s77 h TRP 698 N 0.26 0.78 -0.40 1.19 7.01 -1.01 -0.42 115.95 123.37 1s77 h TRP 698 Ca 0.44 -0.14 -0.03 0.00 2.11 0.00 0.00 58.89 61.26 1s77 h TRP 698 Cb 1.28 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 28.13 1s77 h TRP 698 CO -0.00 0.80 0.13 -0.07 -2.79 0.00 0.00 178.44 176.52 1s77 h LEU 699 N 0.53 0.57 -1.20 0.65 3.38 0.13 -2.55 115.31 116.82 1s77 h LEU 699 Ca 0.11 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1s77 h LEU 699 Cb 0.51 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1s77 h LEU 699 CO 0.02 0.61 0.55 0.11 0.09 0.00 0.00 178.44 179.83 1s77 h LYS 700 N 0.49 1.03 -0.69 1.13 1.57 -0.64 -0.49 116.57 118.97 1s77 h LYS 700 Ca 0.13 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1s77 h LYS 700 Cb 0.24 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1s77 h LYS 700 CO -0.01 0.68 0.18 0.77 -0.57 0.00 0.00 179.45 180.51 1s77 h SER 701 N 1.06 1.03 -0.11 0.86 0.02 -0.83 0.20 113.55 115.78 1s77 h SER 701 Ca 0.32 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1s77 h SER 701 Cb -0.01 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.25 1s77 h SER 701 CO -0.09 0.98 0.04 0.00 -1.14 0.00 0.00 176.83 176.61 1s77 h ALA 702 N 1.15 0.14 -0.31 3.77 0.00 -0.87 -0.27 119.26 122.88 1s77 h ALA 702 Ca 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s77 h ALA 702 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1s77 h ALA 702 CO -0.00 -0.25 0.18 0.00 0.00 0.00 0.00 179.25 179.18 1s77 h ALA 703 N 0.86 0.39 -0.27 0.00 0.00 -0.89 -1.89 119.26 117.46 1s77 h ALA 703 Ca 0.04 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1s77 h ALA 703 Cb 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1s77 h ALA 703 CO -0.00 -0.10 -0.02 -0.22 0.00 0.00 0.00 179.25 178.91 1s77 h LYS 704 N 0.39 0.06 0.00 0.00 3.64 -0.38 0.12 116.57 120.40 1s77 h LYS 704 Ca 0.11 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1s77 h LYS 704 Cb 0.02 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1s77 h LYS 704 CO -0.02 0.04 0.00 -0.07 -2.27 0.00 0.00 179.45 177.13 1s77 h LEU 705 N 0.06 0.00 0.00 5.20 3.38 -0.89 -1.14 115.31 121.92 1s77 h LEU 705 Ca 0.13 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.82 1s77 h LEU 705 Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1s77 h LEU 705 CO -0.24 0.00 -1.66 -0.07 0.09 0.00 0.00 178.44 176.56 1s77 h LEU 706 N 0.00 0.00 -0.04 1.67 3.38 -0.52 -3.34 115.31 116.47 1s77 h LEU 706 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1s77 h LEU 706 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1s77 h LEU 706 CO 0.00 1.00 -1.07 0.00 0.09 0.00 0.00 178.44 178.45 1s77 h ALA 707 N 1.00 0.28 -2.13 1.53 0.00 -0.67 1.16 119.26 120.43 1s77 h ALA 707 Ca -0.27 -0.82 -0.54 0.00 0.00 0.00 0.00 54.91 53.28 1s77 h ALA 707 Cb 1.99 -0.04 0.22 0.00 0.00 0.00 0.00 17.79 19.96 1s77 h ALA 707 CO 0.08 0.98 -0.86 0.00 0.00 0.00 0.00 179.25 179.45 1s77 n ALA 708 N -2.49 -3.25 -4.11 0.00 0.00 -0.44 -4.35 120.51 105.88 1s77 n ALA 708 Ca -0.06 -0.62 -0.33 0.00 0.00 0.00 0.00 53.44 52.43 1s77 n ALA 708 Cb 0.93 -1.65 -0.16 0.00 0.00 0.00 0.00 19.45 18.57 1s77 n ALA 708 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1s77 s GLU 709 N -3.25 2.93 -0.27 0.00 2.12 -1.26 -3.61 118.70 115.35 1s77 s GLU 709 Ca 0.53 -0.84 -0.14 0.00 0.36 0.00 0.00 54.97 54.89 1s77 s GLU 709 Cb -0.21 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.58 1s77 s GLU 709 CO 0.71 -0.22 0.31 0.08 -0.54 0.00 0.00 175.26 175.60 1s77 s VAL 710 N 1.29 5.22 -0.05 3.70 1.01 -0.65 -4.99 120.40 125.93 1s77 s VAL 710 Ca 0.05 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.50 1s77 s VAL 710 Cb -0.13 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1s77 s VAL 710 CO -0.13 0.19 -0.12 -0.54 0.00 0.00 0.00 175.10 174.50 1s77 s LYS 711 N 1.95 2.55 0.08 2.72 1.02 -1.25 0.24 119.74 127.05 1s77 s LYS 711 Ca 0.12 -0.67 -0.34 0.00 0.02 0.00 0.00 55.97 55.10 1s77 s LYS 711 Cb -0.16 -2.44 -0.14 0.00 -0.52 0.00 0.00 37.83 34.58 1s77 s LYS 711 CO 0.10 0.63 1.64 -3.47 -0.92 0.00 0.00 175.35 173.33 1s77 n ASP 712 N 2.21 3.05 -0.14 2.83 -0.08 0.14 -4.81 116.55 119.75 1s77 n ASP 712 Ca -0.17 1.06 0.27 0.00 -1.51 0.00 0.00 54.79 54.44 1s77 n ASP 712 Cb 0.52 -1.39 0.72 0.00 2.34 0.00 0.00 41.12 43.32 1s77 n ASP 712 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1s77 h LYS 713 N 6.70 0.00 0.00 -0.67 6.56 -1.97 -1.85 116.57 125.33 1s77 h LYS 713 Ca -0.46 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 58.81 1s77 h LYS 713 Cb 1.27 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.88 1s77 h LYS 713 CO 0.90 0.00 -2.08 1.63 -2.06 0.00 0.00 179.45 177.84 1s77 n LYS 714 N -4.26 0.41 0.10 3.15 4.76 -1.26 -4.68 118.16 116.39 1s77 n LYS 714 Ca 0.17 0.17 0.13 0.00 -2.87 0.00 0.00 58.31 55.91 1s77 n LYS 714 Cb 0.90 -1.20 0.44 0.00 -1.84 0.00 0.00 35.03 33.33 1s77 n LYS 714 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1s77 n THR 715 N -3.80 0.58 -0.97 -0.18 -2.24 -1.23 -4.90 114.28 101.55 1s77 n THR 715 Ca -0.38 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1s77 n THR 715 Cb 0.78 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1s77 n THR 715 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s77 n GLY 716 N 1.12 0.43 3.78 3.38 0.00 -0.70 -4.96 105.19 108.24 1s77 n GLY 716 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1s77 n GLY 716 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s77 s GLU 717 N -0.54 4.33 -0.06 1.61 2.12 -1.26 -4.66 118.70 120.25 1s77 s GLU 717 Ca 0.00 1.50 -0.30 0.00 0.36 0.00 0.00 54.97 56.53 1s77 s GLU 717 Cb 0.00 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 1s77 s GLU 717 CO 0.00 0.01 1.21 0.42 -0.54 0.00 0.00 175.26 176.36 1s77 s ILE 718 N -1.59 4.24 -0.24 -3.70 -1.09 -1.26 0.29 121.20 117.85 1s77 s ILE 718 Ca 0.54 1.57 -0.01 0.00 -2.23 0.00 0.00 60.65 60.52 1s77 s ILE 718 Cb -0.22 -4.01 -0.18 0.00 -1.58 0.00 0.00 42.46 36.47 1s77 s ILE 718 CO 0.28 -0.00 -0.14 0.18 -1.23 0.00 0.00 174.94 174.02 1s77 n LEU 719 N 5.22 2.85 -3.76 2.97 4.77 0.66 -4.90 117.00 124.81 1s77 n LEU 719 Ca 0.11 -0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.80 1s77 n LEU 719 Cb 0.46 -0.94 -0.17 0.00 -2.33 0.00 0.00 43.42 40.44 1s77 n LEU 719 CO 0.55 0.90 -0.38 -0.60 -1.33 0.00 0.00 177.39 176.53 1s77 s ARG 720 N -2.52 0.60 0.46 3.23 3.00 -1.14 -5.01 118.95 117.57 1s77 s ARG 720 Ca -0.33 0.02 -0.21 0.00 -1.00 0.00 0.00 55.73 54.20 1s77 s ARG 720 Cb 0.09 -1.17 -0.09 0.00 0.00 0.00 0.00 34.95 33.78 1s77 s ARG 720 CO 0.62 -0.37 1.04 0.15 0.00 0.00 0.00 175.30 176.74 1s77 s LYS 721 N 1.96 3.93 0.35 5.12 1.02 -1.26 -1.63 119.74 129.23 1s77 s LYS 721 Ca 0.04 1.40 -0.24 0.00 0.02 0.00 0.00 55.97 57.20 1s77 s LYS 721 Cb -0.13 -2.24 -0.15 0.00 -0.52 0.00 0.00 37.83 34.79 1s77 s LYS 721 CO -0.06 -0.33 0.42 0.54 -0.92 0.00 0.00 175.35 175.00 1s77 n ARG 722 N -0.67 0.30 -4.26 1.68 1.74 -1.24 -4.91 116.66 109.29 1s77 n ARG 722 Ca 0.08 0.11 -0.17 0.00 -0.77 0.00 0.00 57.85 57.09 1s77 n ARG 722 Cb 0.52 -1.24 -0.11 0.00 -1.02 0.00 0.00 32.46 30.61 1s77 n ARG 722 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s77 s ALA 724 N -2.60 3.61 0.12 0.00 0.00 -1.26 -3.83 121.76 117.80 1s77 s ALA 724 Ca 0.14 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.52 1s77 s ALA 724 Cb -0.02 -2.47 -0.08 0.00 0.00 0.00 0.00 23.12 20.55 1s77 s ALA 724 CO 0.03 0.25 1.38 0.08 0.00 0.00 0.00 175.76 177.50 1s77 s VAL 725 N -0.20 3.29 0.02 0.00 1.01 -0.91 -4.86 120.40 118.74 1s77 s VAL 725 Ca 0.23 0.94 0.03 0.00 0.00 0.00 0.00 61.98 63.17 1s77 s VAL 725 Cb -0.15 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1s77 s VAL 725 CO 0.10 0.08 -0.08 -2.28 0.00 0.00 0.00 175.10 172.92 1s77 s HIS 726 N 0.99 0.73 0.17 5.22 5.04 -1.26 -0.64 115.29 125.54 1s77 s HIS 726 Ca 0.64 -0.27 -0.22 0.00 -1.54 0.00 0.00 55.06 53.66 1s77 s HIS 726 Cb -0.37 -0.45 0.06 0.00 0.04 0.00 0.00 32.58 31.87 1s77 s HIS 726 CO 0.31 -0.02 0.61 1.67 -2.34 0.00 0.00 174.74 174.96 1s77 s TRP 727 N -0.64 -0.47 -0.11 3.88 -2.14 -0.83 -4.73 118.94 113.89 1s77 s TRP 727 Ca -0.01 0.23 0.02 0.00 2.66 0.00 0.00 56.10 58.99 1s77 s TRP 727 Cb -0.06 0.56 -0.01 0.00 -3.10 0.00 0.00 33.47 30.87 1s77 s TRP 727 CO 0.00 -0.89 -0.17 0.08 -2.66 0.00 0.00 176.95 173.30 1s77 s VAL 728 N -3.78 2.67 0.73 -0.66 1.01 -1.26 0.12 120.40 119.23 1s77 s VAL 728 Ca 0.03 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1s77 s VAL 728 Cb -0.02 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1s77 s VAL 728 CO -0.10 0.54 1.07 0.42 0.00 0.00 0.00 175.10 177.03 1s77 s THR 729 N 0.27 3.71 0.54 3.92 -4.23 0.27 -4.87 115.64 115.26 1s77 s THR 729 Ca -0.12 0.56 0.28 0.00 -1.18 0.00 0.00 61.69 61.22 1s77 s THR 729 Cb -0.16 -3.20 0.43 0.00 1.34 0.00 0.00 72.50 70.90 1s77 s THR 729 CO 0.07 -0.73 1.95 -0.65 -0.54 0.00 0.00 174.62 174.72 1s77 h PRO 730 N -0.90 0.00 -0.52 3.99 0.11 -1.91 0.99 132.00 133.76 1s77 h PRO 730 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1s77 h PRO 730 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1s77 h PRO 730 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 1s77 n ASP 731 N -4.24 2.50 0.00 -2.05 3.85 -1.26 -4.89 116.55 110.47 1s77 n ASP 731 Ca 0.12 -2.16 0.00 0.00 -0.71 0.00 0.00 54.79 52.04 1s77 n ASP 731 Cb 0.73 -0.37 0.00 0.00 -1.35 0.00 0.00 41.12 40.13 1s77 n ASP 731 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s77 n GLY 732 N 0.84 0.65 3.60 6.12 0.00 0.34 -4.16 105.19 112.59 1s77 n GLY 732 Ca 0.13 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1s77 n GLY 732 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1s77 s PHE 733 N -2.00 3.24 0.07 1.61 5.36 -1.24 -4.65 117.98 120.37 1s77 s PHE 733 Ca 0.00 0.49 -0.23 0.00 -0.96 0.00 0.00 56.93 56.23 1s77 s PHE 733 Cb 0.00 -2.76 -0.06 0.00 -0.34 0.00 0.00 43.02 39.86 1s77 s PHE 733 CO 0.00 -0.35 0.71 -1.25 -1.46 0.00 0.00 175.22 172.87 1s77 s PRO 734 N 2.31 4.44 -0.10 10.12 0.04 -1.26 0.94 135.00 151.50 1s77 s PRO 734 Ca 0.20 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.25 1s77 s PRO 734 Cb -0.16 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1s77 s PRO 734 CO 0.10 0.41 -0.21 0.08 0.04 0.00 0.00 177.00 177.42 1s77 s VAL 735 N -0.45 1.84 -0.32 -0.36 1.01 0.12 -4.96 120.40 117.28 1s77 s VAL 735 Ca 0.35 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1s77 s VAL 735 Cb -0.20 -1.61 0.07 0.00 0.00 0.00 0.00 36.38 34.63 1s77 s VAL 735 CO 0.22 0.51 0.03 0.26 0.00 0.00 0.00 175.10 176.12 1s77 s TRP 736 N 0.51 3.37 -0.47 5.22 0.51 -1.26 -1.95 118.94 124.87 1s77 s TRP 736 Ca -0.16 -2.11 -0.19 0.00 -2.12 0.00 0.00 56.10 51.52 1s77 s TRP 736 Cb -0.17 -2.38 0.04 0.00 -0.81 0.00 0.00 33.47 30.15 1s77 s TRP 736 CO 0.06 -0.86 0.58 -1.14 -0.51 0.00 0.00 176.95 175.08 1s77 s GLN 737 N 1.19 3.16 -0.40 4.98 0.74 0.19 -4.95 119.66 124.57 1s77 s GLN 737 Ca -0.02 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 54.71 1s77 s GLN 737 Cb -0.20 -4.02 0.16 0.00 1.10 0.00 0.00 33.01 30.04 1s77 s GLN 737 CO -0.03 -1.07 0.39 -1.83 -0.55 0.00 0.00 175.29 172.21 1s77 s GLU 738 N 2.54 0.76 0.60 1.67 -1.05 -1.26 -2.15 118.70 119.81 1s77 s GLU 738 Ca 0.16 -1.31 -0.17 0.00 -0.15 0.00 0.00 54.97 53.51 1s77 s GLU 738 Cb -0.17 -0.91 -0.03 0.00 -0.44 0.00 0.00 34.13 32.58 1s77 s GLU 738 CO 0.14 -1.27 1.10 0.71 0.95 0.00 0.00 175.26 176.89 1s77 s TYR 739 N 0.92 2.72 -0.03 4.83 2.02 -1.26 -4.96 117.35 121.59 1s77 s TYR 739 Ca 0.23 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.48 1s77 s TYR 739 Cb -0.09 -3.17 0.02 0.00 -0.40 0.00 0.00 41.96 38.32 1s77 s TYR 739 CO -0.07 -1.50 0.00 0.15 -1.57 0.00 0.00 175.55 172.56 1s77 s LYS 740 N -3.79 0.25 0.25 -0.62 1.02 -1.26 -1.68 119.74 113.91 1s77 s LYS 740 Ca 0.68 0.07 -0.31 0.00 0.02 0.00 0.00 55.97 56.44 1s77 s LYS 740 Cb -0.20 -0.42 -0.11 0.00 -0.52 0.00 0.00 37.83 36.57 1s77 s LYS 740 CO 0.35 -0.12 1.59 0.15 -0.92 0.00 0.00 175.35 176.40 1s77 s LYS 741 N 0.91 4.17 0.31 1.68 1.02 -0.20 -4.75 119.74 122.87 1s77 s LYS 741 Ca -0.09 2.49 -0.25 0.00 0.02 0.00 0.00 55.97 58.15 1s77 s LYS 741 Cb -0.12 -3.07 -0.16 0.00 -0.52 0.00 0.00 37.83 33.96 1s77 s LYS 741 CO -0.02 -0.61 0.43 -2.30 -0.92 0.00 0.00 175.35 171.94 1s77 n PRO 742 N 2.87 0.21 0.05 -1.68 -0.02 -1.26 -4.66 135.00 130.52 1s77 n PRO 742 Ca 0.10 0.08 -0.02 0.00 -2.02 0.00 0.00 63.50 61.63 1s77 n PRO 742 Cb 0.38 -1.15 -0.01 0.00 -0.02 0.00 0.00 33.50 32.69 1s77 n PRO 742 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1s77 h ILE 743 N 0.85 0.00 -2.44 4.25 -0.00 -1.89 -3.41 117.51 114.87 1s77 h ILE 743 Ca -0.34 -0.20 -0.55 0.00 -0.00 0.00 0.00 64.86 63.77 1s77 h ILE 743 Cb 1.43 0.00 -0.09 0.00 -0.00 0.00 0.00 36.82 38.16 1s77 h ILE 743 CO 0.53 0.00 0.97 -1.10 -0.00 0.00 0.00 178.15 178.56 1s77 s GLN 744 N -2.19 3.19 -0.47 0.16 -0.21 -1.26 -4.72 119.66 114.15 1s77 s GLN 744 Ca -0.02 -0.32 -0.27 0.00 0.02 0.00 0.00 55.36 54.77 1s77 s GLN 744 Cb 0.00 -4.18 -0.08 0.00 1.00 0.00 0.00 33.01 29.75 1s77 s GLN 744 CO 0.07 -2.08 2.40 2.41 -2.12 0.00 0.00 175.29 175.97 1s77 n THR 745 N 6.31 -0.01 -2.30 -0.19 -1.04 -1.26 -4.48 114.28 111.31 1s77 n THR 745 Ca 0.02 -0.70 -0.34 0.00 -2.04 0.00 0.00 64.05 60.99 1s77 n THR 745 Cb 0.48 -2.62 -0.01 0.00 -1.82 0.00 0.00 70.33 66.36 1s77 n THR 745 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s77 s ARG 746 N 7.99 3.50 -0.17 -2.82 1.70 -1.26 -4.54 118.95 123.35 1s77 s ARG 746 Ca 1.01 1.40 -0.01 0.00 -0.47 0.00 0.00 55.73 57.65 1s77 s ARG 746 Cb -0.27 -2.05 -0.01 0.00 -0.57 0.00 0.00 34.95 32.05 1s77 s ARG 746 CO 0.29 -0.69 -0.11 -0.48 -1.08 0.00 0.00 175.30 173.23 1s77 s LEU 747 N -3.90 2.71 -0.53 -1.89 2.34 -0.87 -5.00 118.68 111.54 1s77 s LEU 747 Ca 0.68 -0.39 -0.21 0.00 0.06 0.00 0.00 54.13 54.26 1s77 s LEU 747 Cb -0.19 -1.64 0.05 0.00 -0.56 0.00 0.00 46.19 43.85 1s77 s LEU 747 CO 0.27 0.07 0.76 0.21 -1.06 0.00 0.00 176.35 176.60 1s77 s ASN 748 N 0.90 6.27 -0.57 1.48 3.84 -1.26 -3.45 114.94 122.14 1s77 s ASN 748 Ca -0.03 -0.69 -0.16 0.00 0.21 0.00 0.00 52.86 52.19 1s77 s ASN 748 Cb -0.15 -2.35 0.13 0.00 -0.55 0.00 0.00 41.25 38.33 1s77 s ASN 748 CO -0.00 -1.03 0.55 -0.76 -2.79 0.00 0.00 177.10 173.07 1s77 s LEU 749 N 3.18 6.12 0.46 3.21 1.43 -0.86 -5.02 118.68 127.20 1s77 s LEU 749 Ca 0.21 -1.81 -0.19 0.00 -1.03 0.00 0.00 54.13 51.31 1s77 s LEU 749 Cb -0.17 -2.22 -0.15 0.00 0.03 0.00 0.00 46.19 43.68 1s77 s LEU 749 CO 0.15 -0.88 -0.05 1.15 0.23 0.00 0.00 176.35 176.95 1s77 n MET 750 N 5.31 0.00 0.00 1.70 0.00 -1.26 -2.29 117.12 120.58 1s77 n MET 750 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.59 1s77 n MET 750 Cb 0.41 -0.99 0.00 0.00 0.00 0.00 0.00 33.22 32.64 1s77 n MET 750 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1s77 n PHE 751 N -1.33 0.00 -0.11 3.17 3.72 -1.26 -4.39 117.46 117.26 1s77 n PHE 751 Ca 0.09 0.00 0.26 0.00 -0.05 0.00 0.00 57.45 57.75 1s77 n PHE 751 Cb 0.44 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.57 1s77 n PHE 751 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1s77 h LEU 752 N 0.00 0.00 0.00 4.37 4.07 -1.95 -3.47 115.31 118.34 1s77 h LEU 752 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1s77 h LEU 752 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1s77 h LEU 752 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 1s77 n GLY 753 N -1.63 0.33 3.27 0.83 0.00 -0.97 -5.06 105.19 101.97 1s77 n GLY 753 Ca 0.17 -2.13 -0.23 0.00 0.00 0.00 0.00 46.02 43.84 1s77 n GLY 753 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1s77 s GLN 754 N 0.00 1.09 0.13 1.61 0.74 -1.26 -2.02 119.66 119.94 1s77 s GLN 754 Ca 0.00 -1.14 -0.17 0.00 0.05 0.00 0.00 55.36 54.11 1s77 s GLN 754 Cb 0.00 -1.31 0.04 0.00 1.10 0.00 0.00 33.01 32.83 1s77 s GLN 754 CO 0.00 0.30 0.41 -0.59 -0.55 0.00 0.00 175.29 174.87 1s77 s PHE 755 N -1.19 -0.23 0.13 1.67 -0.71 -1.22 -5.02 117.98 111.41 1s77 s PHE 755 Ca 0.05 -0.08 0.02 0.00 -1.04 0.00 0.00 56.93 55.89 1s77 s PHE 755 Cb -0.10 0.28 0.02 0.00 -1.21 0.00 0.00 43.02 42.01 1s77 s PHE 755 CO 0.04 -0.71 0.16 0.54 -1.34 0.00 0.00 175.22 173.91 1s77 n ARG 756 N -0.22 1.04 -3.64 1.99 1.74 -1.26 -2.06 116.66 114.24 1s77 n ARG 756 Ca -0.16 -0.76 -0.05 0.00 -0.77 0.00 0.00 57.85 56.11 1s77 n ARG 756 Cb 0.64 -0.01 -0.07 0.00 -1.02 0.00 0.00 32.46 32.00 1s77 n ARG 756 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1s77 s LEU 757 N 0.00 -0.27 0.12 0.55 0.20 -1.26 -4.90 118.68 113.12 1s77 s LEU 757 Ca 0.12 0.50 -0.35 0.00 0.69 0.00 0.00 54.13 55.09 1s77 s LEU 757 Cb -0.01 1.50 -0.16 0.00 -0.43 0.00 0.00 46.19 47.09 1s77 s LEU 757 CO 0.08 -0.09 1.37 1.67 -0.29 0.00 0.00 176.35 179.09 1s77 n GLN 758 N 2.14 1.37 -1.38 1.98 -0.06 -1.26 -4.27 117.38 115.91 1s77 n GLN 758 Ca -0.12 0.49 -0.38 0.00 -2.00 0.00 0.00 57.00 54.99 1s77 n GLN 758 Cb 0.56 -2.14 0.04 0.00 -4.06 0.00 0.00 30.24 24.64 1s77 n GLN 758 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1s77 n PRO 759 N 2.57 0.38 -0.07 3.69 -0.02 -1.26 -4.95 135.00 135.34 1s77 n PRO 759 Ca 0.17 0.16 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 1s77 n PRO 759 Cb 0.22 -1.63 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 1s77 n PRO 759 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1s77 h THR 760 N 0.02 0.64 -3.19 3.45 1.35 -1.98 -3.45 112.91 109.76 1s77 h THR 760 Ca -0.45 -1.59 -0.53 0.00 -0.55 0.00 0.00 66.41 63.29 1s77 h THR 760 Cb 1.39 1.33 0.03 0.00 -1.73 0.00 0.00 68.15 69.17 1s77 h THR 760 CO 0.45 0.22 0.72 -0.63 -0.25 0.00 0.00 175.52 176.02 1s77 s ILE 761 N -2.06 3.09 -1.17 6.82 -1.09 -1.26 -4.88 121.20 120.65 1s77 s ILE 761 Ca -0.15 0.85 -0.17 0.00 -2.23 0.00 0.00 60.65 58.94 1s77 s ILE 761 Cb 0.01 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1s77 s ILE 761 CO 0.35 0.10 2.10 0.59 -1.23 0.00 0.00 174.94 176.85 1s77 n ASN 762 N 3.20 3.31 0.00 3.58 5.03 -1.26 -4.50 115.26 124.62 1s77 n ASN 762 Ca 0.09 -2.77 0.00 0.00 0.87 0.00 0.00 54.58 52.77 1s77 n ASN 762 Cb 0.42 -1.43 0.00 0.00 -1.02 0.00 0.00 39.78 37.74 1s77 n ASN 762 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1s77 n THR 763 N 5.51 0.00 0.00 3.41 -2.24 -1.26 -4.92 114.28 114.78 1s77 n THR 763 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1s77 n THR 763 Cb 0.40 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1s77 n THR 763 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1s77 n ASN 764 N -1.06 0.00 0.00 3.42 3.02 -1.26 -4.81 115.26 114.57 1s77 n ASN 764 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1s77 n ASN 764 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1s77 n ASN 764 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1s77 n LYS 765 N 0.00 0.00 -0.07 3.52 4.81 -1.26 -2.39 118.16 122.77 1s77 n LYS 765 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1s77 n LYS 765 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1s77 n LYS 765 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1s77 h ASP 766 N 0.00 0.00 0.00 3.14 3.45 -2.05 -3.49 116.42 117.47 1s77 h ASP 766 Ca 0.00 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.35 1s77 h ASP 766 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1s77 h ASP 766 CO 0.00 0.81 0.00 -0.24 -1.57 0.00 0.00 179.24 178.24 1s77 n SER 767 N -4.63 0.00 -0.33 6.45 2.88 -1.00 -5.10 113.62 111.89 1s77 n SER 767 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1s77 n SER 767 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1s77 n SER 767 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1s77 n GLU 768 N 0.00 0.00 -2.48 -1.46 2.13 -1.26 -4.48 120.64 113.09 1s77 n GLU 768 Ca 0.00 0.30 -0.40 0.00 0.66 0.00 0.00 57.16 57.73 1s77 n GLU 768 Cb 0.00 -0.03 -0.04 0.00 0.27 0.00 0.00 31.44 31.64 1s77 n GLU 768 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1s77 s ILE 769 N 0.00 3.52 -1.04 6.31 1.01 -1.26 -1.04 121.20 128.70 1s77 s ILE 769 Ca 0.00 1.45 -0.17 0.00 0.00 0.00 0.00 60.65 61.94 1s77 s ILE 769 Cb 0.00 -3.89 0.15 0.00 0.01 0.00 0.00 42.46 38.72 1s77 s ILE 769 CO 0.00 0.29 1.24 -0.62 0.00 0.00 0.00 174.94 175.85 1s77 s ASP 770 N -1.01 6.81 0.53 3.58 -1.08 -0.68 -4.52 116.67 120.30 1s77 s ASP 770 Ca 0.47 -2.43 0.34 0.00 -0.52 0.00 0.00 52.55 50.41 1s77 s ASP 770 Cb -0.30 -2.40 1.49 0.00 -1.46 0.00 0.00 42.92 40.25 1s77 s ASP 770 CO 0.39 -0.93 1.82 0.00 0.52 0.00 0.00 175.17 176.97 1s77 h ALA 771 N 8.16 2.96 0.30 3.66 0.00 -1.88 0.39 119.26 132.85 1s77 h ALA 771 Ca 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1s77 h ALA 771 Cb 0.97 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1s77 h ALA 771 CO 1.15 -1.29 -0.14 1.25 0.00 0.00 0.00 179.25 180.22 1s77 h HIS 772 N 0.04 -0.38 -0.69 0.00 -0.00 -1.99 -3.01 115.15 109.13 1s77 h HIS 772 Ca 0.53 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.94 1s77 h HIS 772 Cb 2.05 0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 29.53 1s77 h HIS 772 CO -0.00 -0.05 0.41 -0.22 -0.00 0.00 0.00 177.93 178.06 1s77 h LYS 773 N -0.97 0.74 -0.52 5.26 1.63 -1.75 -1.40 116.57 119.56 1s77 h LYS 773 Ca -0.04 -0.04 0.15 0.00 -0.85 0.00 0.00 60.65 59.86 1s77 h LYS 773 Cb 0.49 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 1s77 h LYS 773 CO 0.07 0.49 0.40 1.96 -3.45 0.00 0.00 179.45 178.92 1s77 h GLN 774 N 0.77 0.00 0.04 1.90 1.08 -1.01 -1.52 115.11 116.37 1s77 h GLN 774 Ca 0.30 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 57.17 1s77 h GLN 774 Cb 0.13 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 1s77 h GLN 774 CO -0.16 0.00 -1.95 -1.91 -0.95 0.00 0.00 178.83 173.86 1s77 n GLU 775 N -4.26 0.68 0.13 1.46 2.13 -0.60 -3.30 120.64 116.88 1s77 n GLU 775 Ca 0.10 0.24 0.13 0.00 0.66 0.00 0.00 57.16 58.28 1s77 n GLU 775 Cb 0.61 -1.71 0.38 0.00 0.27 0.00 0.00 31.44 31.00 1s77 n GLU 775 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1s77 h SER 776 N 0.02 0.00 0.00 4.31 4.64 -0.92 -3.34 113.55 118.26 1s77 h SER 776 Ca -0.39 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.67 1s77 h SER 776 Cb 2.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 64.08 1s77 h SER 776 CO 0.06 0.00 -2.01 0.61 -0.87 0.00 0.00 176.83 174.62 1s77 n GLY 777 N 1.14 -0.74 0.33 -0.77 0.00 -0.61 -4.63 105.19 99.91 1s77 n GLY 777 Ca 0.05 -0.26 0.23 0.00 0.00 0.00 0.00 46.02 46.04 1s77 n GLY 777 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1s77 h ILE 778 N 0.00 0.21 0.61 -0.61 6.09 -1.67 0.20 117.51 122.34 1s77 h ILE 778 Ca -0.38 -0.07 -0.03 0.00 -1.37 0.00 0.00 64.86 63.01 1s77 h ILE 778 Cb 1.86 -0.01 0.01 0.00 0.47 0.00 0.00 36.82 39.15 1s77 h ILE 778 CO 0.02 0.04 -0.29 0.00 -3.07 0.00 0.00 178.15 174.85 1s77 h ALA 779 N 1.88 -0.98 -0.86 0.18 0.00 -1.82 -0.93 119.26 116.73 1s77 h ALA 779 Ca 0.71 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 1s77 h ALA 779 Cb 1.65 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 1s77 h ALA 779 CO -0.68 -0.92 0.45 -1.00 0.00 0.00 0.00 179.25 177.10 1s77 h PRO 780 N -1.01 1.22 -0.91 0.00 0.13 -1.67 -1.30 132.00 128.45 1s77 h PRO 780 Ca -0.08 -0.16 0.01 0.00 -0.87 0.00 0.00 66.00 64.90 1s77 h PRO 780 Cb 0.63 -0.23 -0.05 0.00 0.13 0.00 0.00 31.00 31.48 1s77 h PRO 780 CO 0.14 0.91 0.60 -0.91 -0.23 0.00 0.00 178.00 178.51 1s77 h ASN 781 N 1.22 1.05 0.30 1.44 -0.26 -0.66 0.13 115.58 118.80 1s77 h ASN 781 Ca 0.30 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 56.00 1s77 h ASN 781 Cb 0.07 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 1s77 h ASN 781 CO -0.04 0.76 -0.15 0.15 -1.06 0.00 0.00 177.43 177.09 1s77 h PHE 782 N 1.24 -0.38 -0.33 1.19 3.57 -0.68 -1.40 116.94 120.16 1s77 h PHE 782 Ca 0.33 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1s77 h PHE 782 Cb -0.14 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1s77 h PHE 782 CO -0.01 -0.11 0.21 0.28 -2.23 0.00 0.00 178.31 176.45 1s77 h VAL 783 N -0.60 1.09 -0.50 1.41 2.07 -1.05 -1.07 116.25 117.60 1s77 h VAL 783 Ca -0.04 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1s77 h VAL 783 Cb 0.44 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1s77 h VAL 783 CO 0.07 0.09 0.33 0.45 0.02 0.00 0.00 177.57 178.53 1s77 h HIS 784 N 0.44 0.57 0.00 1.57 3.86 -0.72 0.32 115.15 121.19 1s77 h HIS 784 Ca 0.12 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1s77 h HIS 784 Cb -0.04 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 1s77 h HIS 784 CO -0.05 0.34 -0.18 0.66 0.86 0.00 0.00 177.93 179.56 1s77 h SER 785 N 0.60 0.00 0.37 2.45 4.64 -0.68 -0.13 113.55 120.80 1s77 h SER 785 Ca 0.20 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.24 1s77 h SER 785 Cb 0.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1s77 h SER 785 CO -0.05 0.18 -1.16 1.56 -0.87 0.00 0.00 176.83 176.48 1s77 h GLN 786 N 0.00 0.43 -0.06 4.77 1.08 0.79 -2.23 115.11 119.88 1s77 h GLN 786 Ca -0.00 -0.59 -0.24 0.00 -1.45 0.00 0.00 58.65 56.37 1s77 h GLN 786 Cb 0.86 0.20 0.02 0.00 -0.05 0.00 0.00 27.48 28.51 1s77 h GLN 786 CO 0.02 1.24 -0.90 0.38 -0.95 0.00 0.00 178.83 178.63 1s77 h ASP 787 N 0.19 0.90 -0.12 1.46 3.04 -0.62 -2.26 116.42 119.00 1s77 h ASP 787 Ca -0.14 -0.69 -0.01 0.00 -3.24 0.00 0.00 57.03 52.95 1s77 h ASP 787 Cb 1.84 -0.27 -0.01 0.00 -1.04 0.00 0.00 39.33 39.86 1s77 h ASP 787 CO 0.21 1.46 0.06 1.23 -2.04 0.00 0.00 179.24 180.16 1s77 h GLY 788 N 0.41 0.20 1.38 7.15 0.00 -1.04 0.37 103.07 111.55 1s77 h GLY 788 Ca -0.09 -0.08 -0.21 0.00 0.00 0.00 0.00 47.33 46.94 1s77 h GLY 788 CO 0.18 0.08 -0.78 0.23 0.00 0.00 0.00 176.54 176.25 1s77 h SER 789 N 0.20 0.72 -0.23 0.19 0.87 -1.32 -1.32 113.55 112.66 1s77 h SER 789 Ca 0.05 -0.48 -0.10 0.00 -1.23 0.00 0.00 61.79 60.03 1s77 h SER 789 Cb 0.03 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1s77 h SER 789 CO -0.01 1.26 -0.18 -0.74 -0.53 0.00 0.00 176.83 176.63 1s77 h HIS 790 N 0.40 0.74 -0.39 2.24 -0.00 -0.46 0.23 115.15 117.92 1s77 h HIS 790 Ca -0.05 -0.15 -0.02 0.00 -0.00 0.00 0.00 60.37 60.15 1s77 h HIS 790 Cb 1.39 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 28.59 1s77 h HIS 790 CO 0.07 0.80 0.17 1.25 -0.00 0.00 0.00 177.93 180.22 1s77 h LEU 791 N 0.60 0.52 -0.43 0.26 6.46 -0.06 0.38 115.31 123.04 1s77 h LEU 791 Ca 0.09 -0.15 -0.08 0.00 -0.12 0.00 0.00 57.88 57.62 1s77 h LEU 791 Cb 0.64 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1s77 h LEU 791 CO 0.05 0.53 -0.04 0.03 -0.62 0.00 0.00 178.44 178.39 1s77 h ARG 792 N 0.48 0.79 -0.61 1.25 3.08 -0.81 -1.09 114.38 117.47 1s77 h ARG 792 Ca 0.13 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1s77 h ARG 792 Cb 0.16 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1s77 h ARG 792 CO -0.01 0.88 0.18 0.87 -1.07 0.00 0.00 179.97 180.81 1s77 h LYS 793 N 0.62 0.93 -0.42 0.04 1.57 -0.35 -1.07 116.57 117.89 1s77 h LYS 793 Ca 0.12 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 1s77 h LYS 793 Cb 0.55 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1s77 h LYS 793 CO 0.03 0.81 -0.24 1.15 -0.57 0.00 0.00 179.45 180.63 1s77 h THR 794 N 0.90 1.28 -0.50 -0.16 2.02 -0.70 -0.12 112.91 115.62 1s77 h THR 794 Ca 0.20 -1.39 -0.00 0.00 0.77 0.00 0.00 66.41 65.98 1s77 h THR 794 Cb 0.28 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1s77 h THR 794 CO -0.01 0.47 0.31 0.58 0.37 0.00 0.00 175.52 177.24 1s77 h VAL 795 N 0.73 1.15 -0.27 3.16 2.07 -0.83 0.23 116.25 122.49 1s77 h VAL 795 Ca 0.09 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 1s77 h VAL 795 Cb 0.81 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1s77 h VAL 795 CO 0.07 0.16 -0.36 0.58 0.02 0.00 0.00 177.57 178.03 1s77 h VAL 796 N 0.67 1.29 0.06 2.57 2.07 -1.07 -2.29 116.25 119.55 1s77 h VAL 796 Ca 0.18 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 1s77 h VAL 796 Cb -0.01 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1s77 h VAL 796 CO -0.03 0.48 -0.03 -0.25 0.02 0.00 0.00 177.57 177.76 1s77 h TRP 797 N 0.52 -0.07 -0.77 1.57 2.91 -0.73 0.22 115.95 119.59 1s77 h TRP 797 Ca 0.05 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.11 1s77 h TRP 797 Cb 0.87 0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 29.50 1s77 h TRP 797 CO 0.04 0.40 0.51 0.00 -1.03 0.00 0.00 178.44 178.35 1s77 h ALA 798 N 0.30 1.57 -0.02 2.65 0.00 -0.57 0.49 119.26 123.68 1s77 h ALA 798 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1s77 h ALA 798 Cb 0.50 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1s77 h ALA 798 CO 0.01 0.35 -0.07 1.25 0.00 0.00 0.00 179.25 180.79 1s77 h HIS 799 N 0.92 0.10 0.00 0.00 -0.00 -1.36 -1.01 115.15 113.81 1s77 h HIS 799 Ca 0.31 -0.05 -0.12 0.00 -0.00 0.00 0.00 60.37 60.51 1s77 h HIS 799 Cb 0.09 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.46 1s77 h HIS 799 CO -0.00 0.72 -0.59 0.93 -0.00 0.00 0.00 177.93 179.00 1s77 h GLU 800 N -0.54 0.00 0.01 5.26 5.08 -0.71 0.03 114.58 123.70 1s77 h GLU 800 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.98 1s77 h GLU 800 Cb 0.73 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 1s77 h GLU 800 CO 0.02 0.59 -2.35 1.63 -1.00 0.00 0.00 179.01 177.89 1s77 n LYS 801 N -3.34 0.67 -0.03 2.33 4.01 0.17 -4.58 118.16 117.39 1s77 n LYS 801 Ca 0.01 0.09 0.03 0.00 -0.51 0.00 0.00 58.31 57.93 1s77 n LYS 801 Cb 0.73 -1.55 0.04 0.00 -0.51 0.00 0.00 35.03 33.73 1s77 n LYS 801 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1s77 n TYR 802 N -3.02 0.07 -1.97 2.13 4.01 -0.44 -5.00 117.16 112.94 1s77 n TYR 802 Ca -0.37 -0.15 -0.18 0.00 -0.16 0.00 0.00 57.90 57.04 1s77 n TYR 802 Cb 1.08 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 40.06 1s77 n TYR 802 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s77 n GLY 803 N 0.22 0.58 3.74 2.72 0.00 -0.00 -4.93 105.19 107.51 1s77 n GLY 803 Ca 0.04 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1s77 n GLY 803 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s77 s ILE 804 N -2.78 3.79 -0.09 -0.61 1.01 -0.91 -4.94 121.20 116.68 1s77 s ILE 804 Ca 0.00 1.58 0.04 0.00 0.00 0.00 0.00 60.65 62.27 1s77 s ILE 804 Cb 0.00 -4.01 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 1s77 s ILE 804 CO 0.00 0.29 -0.02 -0.62 0.00 0.00 0.00 174.94 174.58 1s77 n GLU 805 N 2.20 1.64 -3.27 2.79 1.02 -1.26 -4.08 120.64 119.68 1s77 n GLU 805 Ca 0.02 0.02 -0.38 0.00 -0.02 0.00 0.00 57.16 56.80 1s77 n GLU 805 Cb 0.46 -1.20 -0.06 0.00 -0.02 0.00 0.00 31.44 30.62 1s77 n GLU 805 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1s77 s SER 806 N -4.40 6.76 -0.01 1.62 0.01 -1.26 -4.50 113.70 111.91 1s77 s SER 806 Ca -0.08 0.90 0.01 0.00 1.31 0.00 0.00 55.95 58.09 1s77 s SER 806 Cb 0.03 -2.31 0.01 0.00 0.21 0.00 0.00 66.02 63.96 1s77 s SER 806 CO 0.28 0.00 -0.01 -0.36 0.41 0.00 0.00 173.24 173.56 1s77 s PHE 807 N 0.52 0.23 -0.26 2.43 0.40 -1.26 -4.51 117.98 115.53 1s77 s PHE 807 Ca 0.28 -0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.59 1s77 s PHE 807 Cb -0.16 -0.23 0.04 0.00 0.51 0.00 0.00 43.02 43.18 1s77 s PHE 807 CO 0.12 -0.05 -0.06 0.00 0.70 0.00 0.00 175.22 175.93 1s77 s ALA 808 N 0.37 2.70 -0.14 5.36 0.00 0.70 -4.93 121.76 125.83 1s77 s ALA 808 Ca -0.03 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.37 1s77 s ALA 808 Cb -0.06 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1s77 s ALA 808 CO -0.01 -0.97 -0.19 -0.51 0.00 0.00 0.00 175.76 174.08 1s77 s LEU 809 N 1.27 2.31 -0.45 0.00 1.43 -1.26 0.61 118.68 122.59 1s77 s LEU 809 Ca -0.02 -0.52 0.09 0.00 -1.03 0.00 0.00 54.13 52.65 1s77 s LEU 809 Cb -0.18 -1.50 0.31 0.00 0.03 0.00 0.00 46.19 44.86 1s77 s LEU 809 CO -0.04 0.11 0.73 -0.38 0.23 0.00 0.00 176.35 177.00 1s77 n ILE 810 N 3.90 0.72 0.00 -0.59 5.41 -0.45 -4.78 119.36 123.58 1s77 n ILE 810 Ca -0.19 -4.75 0.00 0.00 1.00 0.00 0.00 62.75 58.80 1s77 n ILE 810 Cb 0.52 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.35 1s77 n ILE 810 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1s77 n HIS 811 N 0.48 0.00 -0.23 1.39 8.25 -1.26 -2.39 115.22 121.46 1s77 n HIS 811 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1s77 n HIS 811 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 1s77 n HIS 811 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1s77 n ASP 812 N 1.85 1.33 -4.53 0.41 5.75 -1.26 -4.72 116.55 115.38 1s77 n ASP 812 Ca 0.00 -1.56 -0.34 0.00 -0.01 0.00 0.00 54.79 52.88 1s77 n ASP 812 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 1s77 n ASP 812 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1s77 s SER 813 N -0.56 4.64 -0.12 -1.12 0.15 -1.00 -1.78 113.70 113.91 1s77 s SER 813 Ca 0.00 -0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.57 1s77 s SER 813 Cb 0.00 -1.44 0.02 0.00 -1.71 0.00 0.00 66.02 62.88 1s77 s SER 813 CO 0.00 0.27 -0.15 -0.36 1.20 0.00 0.00 173.24 174.20 1s77 s PHE 814 N -0.27 2.03 0.06 3.44 0.40 0.21 -1.34 117.98 122.52 1s77 s PHE 814 Ca 0.04 -0.99 0.03 0.00 -0.60 0.00 0.00 56.93 55.41 1s77 s PHE 814 Cb -0.13 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 1s77 s PHE 814 CO 0.02 -0.52 -0.10 0.20 0.70 0.00 0.00 175.22 175.52 1s77 s GLY 815 N 1.07 0.67 0.13 4.36 0.00 0.20 -0.91 107.32 112.84 1s77 s GLY 815 Ca -0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 1s77 s GLY 815 CO -0.03 -0.94 0.19 2.41 0.00 0.00 0.00 173.10 174.73 1s77 n THR 816 N 1.31 0.00 -2.03 0.90 -1.04 -1.19 -0.21 114.28 112.01 1s77 n THR 816 Ca -0.22 -0.65 -0.32 0.00 -2.04 0.00 0.00 64.05 60.83 1s77 n THR 816 Cb 0.55 0.41 -0.00 0.00 -1.82 0.00 0.00 70.33 69.47 1s77 n THR 816 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1s77 s ILE 817 N -2.58 4.51 0.28 12.58 -4.36 -1.26 0.42 121.20 130.79 1s77 s ILE 817 Ca 0.11 0.97 0.02 0.00 -0.26 0.00 0.00 60.65 61.49 1s77 s ILE 817 Cb -0.00 -3.73 0.27 0.00 1.25 0.00 0.00 42.46 40.24 1s77 s ILE 817 CO 0.08 -0.91 1.76 -0.65 0.24 0.00 0.00 174.94 175.46 1s77 h PRO 818 N 0.12 0.65 0.00 0.37 0.11 -1.81 -0.14 132.00 131.30 1s77 h PRO 818 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1s77 h PRO 818 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1s77 h PRO 818 CO 0.61 0.43 0.00 0.00 -0.21 0.00 0.00 178.00 178.83 1s77 h ALA 819 N 1.61 1.00 -0.01 -0.75 0.00 -1.84 -2.22 119.26 117.06 1s77 h ALA 819 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1s77 h ALA 819 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1s77 h ALA 819 CO -0.39 0.00 -0.18 -0.25 0.00 0.00 0.00 179.25 178.44 1s77 n ASP 820 N -2.92 1.43 -0.24 0.00 8.00 -0.16 -4.67 116.55 117.99 1s77 n ASP 820 Ca -0.01 -1.22 0.04 0.00 0.71 0.00 0.00 54.79 54.32 1s77 n ASP 820 Cb 0.17 0.36 0.16 0.00 -0.02 0.00 0.00 41.12 41.78 1s77 n ASP 820 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s77 h ALA 821 N 1.98 0.84 -0.82 2.24 0.00 -0.63 -1.39 119.26 121.49 1s77 h ALA 821 Ca 0.00 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1s77 h ALA 821 Cb 0.40 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1s77 h ALA 821 CO 0.00 -0.36 0.46 0.00 0.00 0.00 0.00 179.25 179.34 1s77 h ALA 822 N 1.60 1.17 -0.00 0.00 0.00 -1.83 0.54 119.26 120.74 1s77 h ALA 822 Ca 0.39 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 55.11 1s77 h ALA 822 Cb 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1s77 h ALA 822 CO -0.53 0.06 -0.94 -0.91 0.00 0.00 0.00 179.25 176.93 1s77 h ASN 823 N 0.75 0.57 -0.16 0.00 2.35 -1.64 -2.51 115.58 114.95 1s77 h ASN 823 Ca 0.40 -0.45 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1s77 h ASN 823 Cb 0.40 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1s77 h ASN 823 CO -0.26 1.25 -0.04 0.25 -1.65 0.00 0.00 177.43 176.98 1s77 h LEU 824 N 0.25 0.41 -0.27 1.61 5.85 -0.74 0.19 115.31 122.61 1s77 h LEU 824 Ca -0.08 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1s77 h LEU 824 Cb 1.58 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1s77 h LEU 824 CO 0.17 0.51 0.18 0.15 -0.34 0.00 0.00 178.44 179.10 1s77 h PHE 825 N 0.42 0.34 -0.05 1.25 3.04 -0.69 -1.07 116.94 120.18 1s77 h PHE 825 Ca 0.09 0.01 -0.16 0.00 3.98 0.00 0.00 57.97 61.89 1s77 h PHE 825 Cb 0.34 -0.12 0.01 0.00 2.56 0.00 0.00 35.95 38.75 1s77 h PHE 825 CO 0.01 0.22 -0.59 1.57 -2.02 0.00 0.00 178.31 177.50 1s77 h LYS 826 N 0.37 0.49 -0.32 1.11 2.10 -1.00 -3.27 116.57 116.05 1s77 h LYS 826 Ca 0.10 -0.46 0.07 0.00 -2.00 0.00 0.00 60.65 58.36 1s77 h LYS 826 Cb -0.04 0.12 -0.07 0.00 -0.90 0.00 0.00 32.23 31.34 1s77 h LYS 826 CO -0.02 1.10 -0.16 0.00 -2.00 0.00 0.00 179.45 178.37 1s77 h ALA 827 N 0.40 0.09 -0.24 0.07 0.00 -0.88 0.71 119.26 119.40 1s77 h ALA 827 Ca -0.06 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1s77 h ALA 827 Cb 1.27 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1s77 h ALA 827 CO 0.12 -0.55 0.16 -0.24 0.00 0.00 0.00 179.25 178.75 1s77 h VAL 828 N -0.11 1.06 0.11 0.00 3.04 -1.32 -0.36 116.25 118.67 1s77 h VAL 828 Ca 0.16 -0.11 -0.29 0.00 -1.01 0.00 0.00 66.70 65.45 1s77 h VAL 828 Cb 0.36 0.71 0.03 0.00 -2.01 0.00 0.00 31.29 30.38 1s77 h VAL 828 CO -0.39 0.06 -1.21 0.03 -1.01 0.00 0.00 177.57 175.05 1s77 h ARG 829 N 0.32 0.62 -0.78 4.17 3.08 -0.99 -2.98 114.38 117.81 1s77 h ARG 829 Ca 0.09 -0.82 -0.03 0.00 0.07 0.00 0.00 59.98 59.29 1s77 h ARG 829 Cb -0.02 0.27 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1s77 h ARG 829 CO -0.02 1.37 0.36 0.93 -1.07 0.00 0.00 179.97 181.54 1s77 h GLU 830 N 0.26 1.14 -0.23 0.04 5.08 0.10 -1.94 114.58 119.03 1s77 h GLU 830 Ca -0.18 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 57.88 1s77 h GLU 830 Cb 1.89 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 1s77 h GLU 830 CO 0.23 0.89 -0.37 1.79 -1.00 0.00 0.00 179.01 180.56 1s77 h THR 831 N 1.11 1.29 -0.45 1.13 1.35 -1.18 0.82 112.91 116.99 1s77 h THR 831 Ca 0.27 -1.50 0.03 0.00 -0.55 0.00 0.00 66.41 64.66 1s77 h THR 831 Cb 0.14 1.52 -0.04 0.00 -1.73 0.00 0.00 68.15 68.05 1s77 h THR 831 CO -0.03 0.47 0.23 -0.03 -0.25 0.00 0.00 175.52 175.91 1s77 h MET 832 N 0.43 0.45 -0.07 4.72 -1.53 -1.29 -1.34 114.93 116.31 1s77 h MET 832 Ca 0.04 -0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 56.20 1s77 h MET 832 Cb 0.84 -0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.79 1s77 h MET 832 CO 0.07 0.30 -0.24 0.28 0.14 0.00 0.00 176.91 177.46 1s77 h VAL 833 N 0.46 1.43 -0.48 -5.77 2.07 -1.05 -3.04 116.25 109.87 1s77 h VAL 833 Ca 0.19 -1.64 0.04 0.00 0.82 0.00 0.00 66.70 66.11 1s77 h VAL 833 Cb 0.09 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1s77 h VAL 833 CO -0.13 0.46 0.25 -0.78 0.02 0.00 0.00 177.57 177.40 1s77 h ASP 834 N -0.23 0.38 0.21 0.57 -0.00 -0.71 -1.61 116.42 115.02 1s77 h ASP 834 Ca -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 57.03 57.04 1s77 h ASP 834 Cb 0.87 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 40.13 1s77 h ASP 834 CO 0.05 0.26 -0.30 0.74 -0.00 0.00 0.00 179.24 180.00 1s77 h THR 835 N 0.50 0.00 0.00 2.25 2.02 -1.31 0.11 112.91 116.48 1s77 h THR 835 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.39 1s77 h THR 835 Cb 0.10 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1s77 h THR 835 CO -0.13 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.54 1s77 n TYR 836 N -4.15 0.00 0.37 3.16 4.01 -1.15 0.09 117.16 119.48 1s77 n TYR 836 Ca -0.06 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.78 1s77 n TYR 836 Cb 0.26 -0.19 -0.14 0.00 -0.31 0.00 0.00 39.34 38.96 1s77 n TYR 836 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1s77 n GLU 837 N -1.19 0.59 -0.00 -0.72 2.13 -0.61 -4.35 120.64 116.48 1s77 n GLU 837 Ca 0.15 -0.11 0.07 0.00 0.66 0.00 0.00 57.16 57.92 1s77 n GLU 837 Cb 0.16 -1.46 -0.10 0.00 0.27 0.00 0.00 31.44 30.32 1s77 n GLU 837 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1s77 n SER 838 N -1.90 1.43 -4.05 4.31 2.88 0.36 -5.00 113.62 111.65 1s77 n SER 838 Ca -0.01 -0.28 -0.17 0.00 -1.33 0.00 0.00 58.87 57.08 1s77 n SER 838 Cb 0.44 1.41 -0.13 0.00 -0.75 0.00 0.00 64.21 65.17 1s77 n SER 838 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s77 s ASP 840 N -0.81 5.36 0.44 0.00 3.68 -1.26 -4.51 116.67 119.57 1s77 s ASP 840 Ca -0.01 -3.36 0.18 0.00 2.13 0.00 0.00 52.55 51.48 1s77 s ASP 840 Cb -0.06 -1.82 1.12 0.00 -1.45 0.00 0.00 42.92 40.71 1s77 s ASP 840 CO 0.00 -0.24 1.92 -0.37 0.13 0.00 0.00 175.17 176.62 1s77 h VAL 841 N 4.70 0.77 -0.03 1.11 -1.51 -1.94 0.42 116.25 119.77 1s77 h VAL 841 Ca 0.07 -0.12 -0.14 0.00 -1.23 0.00 0.00 66.70 65.28 1s77 h VAL 841 Cb 0.86 0.39 0.01 0.00 -2.13 0.00 0.00 31.29 30.42 1s77 h VAL 841 CO 0.76 0.06 -0.53 -0.07 -1.23 0.00 0.00 177.57 176.57 1s77 h LEU 842 N 0.34 0.51 -1.16 4.19 4.07 -1.92 -0.24 115.31 121.11 1s77 h LEU 842 Ca 0.37 -0.73 -0.09 0.00 0.08 0.00 0.00 57.88 57.51 1s77 h LEU 842 Cb 0.93 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.50 1s77 h LEU 842 CO -0.10 1.16 -0.42 0.00 -1.08 0.00 0.00 178.44 178.00 1s77 h ALA 843 N 0.36 1.31 -0.13 1.53 0.00 -1.80 0.12 119.26 120.64 1s77 h ALA 843 Ca -0.06 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 1s77 h ALA 843 Cb 1.22 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1s77 h ALA 843 CO 0.10 0.52 -0.64 -0.44 0.00 0.00 0.00 179.25 178.79 1s77 h ASP 844 N 0.01 0.80 -0.09 0.00 3.32 -0.17 -1.96 116.42 118.33 1s77 h ASP 844 Ca -0.00 -0.63 0.02 0.00 0.02 0.00 0.00 57.03 56.44 1s77 h ASP 844 Cb 0.74 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1s77 h ASP 844 CO 0.05 1.30 -0.04 0.15 -1.72 0.00 0.00 179.24 178.98 1s77 h PHE 845 N 0.35 -0.10 -0.58 4.55 3.57 -0.58 -2.10 116.94 122.06 1s77 h PHE 845 Ca -0.04 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.54 1s77 h PHE 845 Cb 1.28 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 40.02 1s77 h PHE 845 CO 0.10 -0.07 0.25 -0.92 -2.23 0.00 0.00 178.31 175.44 1s77 h TYR 846 N -0.04 0.44 0.00 0.41 5.03 -0.94 0.52 116.97 122.40 1s77 h TYR 846 Ca 0.05 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1s77 h TYR 846 Cb 0.11 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.28 1s77 h TYR 846 CO -0.16 0.16 0.00 -0.25 -1.32 0.00 0.00 178.16 176.59 1s77 n ASP 847 N -4.94 0.00 0.00 -2.11 8.00 -0.74 -0.63 116.55 116.13 1s77 n ASP 847 Ca 0.07 0.50 -0.09 0.00 0.71 0.00 0.00 54.79 55.98 1s77 n ASP 847 Cb 0.22 -0.50 -0.14 0.00 -0.02 0.00 0.00 41.12 40.69 1s77 n ASP 847 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1s77 h GLN 848 N 0.00 0.02 0.00 -1.24 1.08 0.67 -3.41 115.11 112.23 1s77 h GLN 848 Ca 0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1s77 h GLN 848 Cb 0.09 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1s77 h GLN 848 CO 0.00 0.65 -0.92 1.97 -0.95 0.00 0.00 178.83 179.58 1s77 n PHE 849 N -3.14 0.00 -0.12 2.96 -1.74 -0.85 -4.51 117.46 110.06 1s77 n PHE 849 Ca -0.13 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.67 1s77 n PHE 849 Cb 1.03 -0.06 -0.03 0.00 1.52 0.00 0.00 39.48 41.94 1s77 n PHE 849 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s77 h ALA 850 N 0.38 -0.27 -3.00 1.98 0.00 -1.10 -3.36 119.26 113.89 1s77 h ALA 850 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1s77 h ALA 850 Cb 0.15 0.78 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1s77 h ALA 850 CO 0.00 -0.78 0.00 -0.40 0.00 0.00 0.00 179.25 178.07 1s77 n ASP 851 N -5.42 0.00 -4.04 0.00 5.75 -1.26 -4.54 116.55 107.04 1s77 n ASP 851 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.43 1s77 n ASP 851 Cb 0.34 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.29 1s77 n ASP 851 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1s77 n GLN 852 N 0.00 0.00 -1.17 0.11 7.27 -1.26 -3.44 117.38 118.90 1s77 n GLN 852 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.07 1s77 n GLN 852 Cb 0.00 -1.30 -0.00 0.00 2.41 0.00 0.00 30.24 31.34 1s77 n GLN 852 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1s77 n LEU 853 N 9.01 -2.32 0.00 1.69 4.77 -1.26 -4.55 117.00 124.33 1s77 n LEU 853 Ca 0.59 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 1s77 n LEU 853 Cb 0.04 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1s77 n LEU 853 CO 0.86 -0.22 0.00 1.57 -1.33 0.00 0.00 177.39 178.27 1s77 n HIS 854 N 0.13 0.00 -0.14 -1.77 -0.00 -1.22 -4.56 115.22 107.66 1s77 n HIS 854 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1s77 n HIS 854 Cb 0.01 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 1s77 n HIS 854 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1s77 n GLU 855 N 0.00 0.00 -4.12 1.57 0.00 -1.24 -4.83 120.64 112.02 1s77 n GLU 855 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.81 1s77 n GLU 855 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 1s77 n GLU 855 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1s77 n SER 856 N 1.44 -3.81 0.00 4.31 7.64 -1.26 0.71 113.62 122.65 1s77 n SER 856 Ca 0.00 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1s77 n SER 856 Cb 0.00 -3.09 0.00 0.00 -1.01 0.00 0.00 64.21 60.11 1s77 n SER 856 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1s77 n GLN 857 N -4.46 0.00 -1.63 1.43 7.27 -1.26 -4.96 117.38 113.77 1s77 n GLN 857 Ca 0.07 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.76 1s77 n GLN 857 Cb 0.50 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.12 1s77 n GLN 857 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1s77 s LEU 858 N 0.00 3.40 -0.17 1.69 1.43 0.22 -4.51 118.68 120.74 1s77 s LEU 858 Ca 0.00 1.14 0.07 0.00 -1.03 0.00 0.00 54.13 54.31 1s77 s LEU 858 Cb 0.00 -2.71 0.21 0.00 0.03 0.00 0.00 46.19 43.72 1s77 s LEU 858 CO 0.00 -2.64 1.06 0.47 0.23 0.00 0.00 176.35 175.47 1s77 n ASP 859 N 14.72 -0.86 -0.99 2.29 10.43 -1.26 -3.63 116.55 137.25 1s77 n ASP 859 Ca 0.33 -1.67 0.02 0.00 2.57 0.00 0.00 54.79 56.05 1s77 n ASP 859 Cb 0.53 0.39 0.22 0.00 1.84 0.00 0.00 41.12 44.10 1s77 n ASP 859 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1s77 n LYS 860 N -0.80 2.33 -2.26 -1.24 4.76 -1.26 -4.97 118.16 114.72 1s77 n LYS 860 Ca -0.12 -2.98 -0.43 0.00 -2.87 0.00 0.00 58.31 51.90 1s77 n LYS 860 Cb 0.70 -1.82 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 1s77 n LYS 860 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1s77 s MET 861 N -3.03 3.76 0.82 1.97 -2.45 -1.26 -4.98 119.30 114.14 1s77 s MET 861 Ca 0.43 1.36 -0.15 0.00 -1.25 0.00 0.00 55.69 56.08 1s77 s MET 861 Cb 0.37 -3.99 -0.02 0.00 1.25 0.00 0.00 34.83 32.44 1s77 s MET 861 CO 0.04 -1.32 0.40 -2.30 1.05 0.00 0.00 175.02 172.90 1s77 n PRO 862 N 7.67 0.06 -2.52 4.11 -0.02 -1.26 -4.93 135.00 138.10 1s77 n PRO 862 Ca 0.17 0.06 -0.33 0.00 -2.02 0.00 0.00 63.50 61.39 1s77 n PRO 862 Cb 0.46 -1.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.12 1s77 n PRO 862 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s77 s ALA 863 N -2.10 3.00 0.25 3.55 0.00 -1.26 -4.97 121.76 120.23 1s77 s ALA 863 Ca 0.61 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 1s77 s ALA 863 Cb -0.29 -3.15 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 1s77 s ALA 863 CO 0.63 -0.18 1.22 1.28 0.00 0.00 0.00 175.76 178.71 1s77 n LEU 864 N -1.25 2.36 -4.68 0.00 4.77 -1.26 -4.87 117.00 112.07 1s77 n LEU 864 Ca 0.07 1.16 -0.37 0.00 -0.03 0.00 0.00 56.01 56.84 1s77 n LEU 864 Cb 0.54 -1.34 0.07 0.00 -2.33 0.00 0.00 43.42 40.36 1s77 n LEU 864 CO 0.43 -0.96 0.76 -0.81 -1.33 0.00 0.00 177.39 175.47 1s77 n PRO 865 N 1.41 0.97 -2.30 3.23 -0.04 -1.26 -4.93 135.00 132.08 1s77 n PRO 865 Ca 0.11 0.38 -0.41 0.00 -0.04 0.00 0.00 63.50 63.55 1s77 n PRO 865 Cb 0.30 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 1s77 n PRO 865 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s77 s ALA 866 N -1.48 3.46 0.85 0.55 0.00 -1.26 -5.01 121.76 118.87 1s77 s ALA 866 Ca 0.80 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 53.71 1s77 s ALA 866 Cb -0.38 -3.41 0.10 0.00 0.00 0.00 0.00 23.12 19.42 1s77 s ALA 866 CO 0.43 -0.41 1.10 0.15 0.00 0.00 0.00 175.76 177.03 1s77 s LYS 867 N -1.32 1.67 0.00 0.00 -0.14 -1.26 -4.96 119.74 113.73 1s77 s LYS 867 Ca 0.48 0.69 0.00 0.00 -1.36 0.00 0.00 55.97 55.78 1s77 s LYS 867 Cb -0.36 -1.87 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 1s77 s LYS 867 CO 0.45 -1.92 0.00 0.41 -0.76 0.00 0.00 175.35 173.53 1s77 n GLY 868 N -1.70 4.91 0.72 -3.33 0.00 -0.04 -4.98 105.19 100.76 1s77 n GLY 868 Ca 0.07 -2.10 0.06 0.00 0.00 0.00 0.00 46.02 44.05 1s77 n GLY 868 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s77 n ASN 869 N -0.69 3.08 -4.65 1.61 3.02 -0.97 -4.85 115.26 111.81 1s77 n ASN 869 Ca 0.00 -2.07 -0.42 0.00 -0.03 0.00 0.00 54.58 52.06 1s77 n ASN 869 Cb 0.00 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 1s77 n ASN 869 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1s77 s LEU 870 N -1.13 4.22 -0.75 3.41 2.96 0.19 -4.88 118.68 122.71 1s77 s LEU 870 Ca 0.26 2.33 -0.27 0.00 -0.22 0.00 0.00 54.13 56.24 1s77 s LEU 870 Cb 0.15 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.34 1s77 s LEU 870 CO 0.17 -1.16 1.27 0.21 -1.32 0.00 0.00 176.35 175.52 1s77 s ASN 871 N 4.60 6.17 0.47 3.68 3.04 -1.26 -4.82 114.94 126.81 1s77 s ASN 871 Ca 0.84 -0.51 0.25 0.00 0.04 0.00 0.00 52.86 53.47 1s77 s ASN 871 Cb -0.37 -2.55 1.28 0.00 -1.54 0.00 0.00 41.25 38.07 1s77 s ASN 871 CO 0.36 -1.81 1.84 -0.07 -3.04 0.00 0.00 177.10 174.38 1s77 h LEU 872 N 12.93 0.23 -0.19 3.21 3.38 -1.94 0.75 115.31 133.69 1s77 h LEU 872 Ca -0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1s77 h LEU 872 Cb 1.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1s77 h LEU 872 CO 1.28 0.07 0.00 -1.14 0.09 0.00 0.00 178.44 178.74 1s77 n ARG 873 N -4.42 0.03 0.18 1.13 0.63 -1.26 -1.80 116.66 111.15 1s77 n ARG 873 Ca 0.21 0.37 0.03 0.00 -0.92 0.00 0.00 57.85 57.54 1s77 n ARG 873 Cb 0.89 -1.58 0.33 0.00 0.45 0.00 0.00 32.46 32.55 1s77 n ARG 873 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1s77 h ASP 874 N 0.00 0.00 -0.87 6.15 5.19 -1.15 -2.82 116.42 122.92 1s77 h ASP 874 Ca 0.00 0.00 0.22 0.00 -0.62 0.00 0.00 57.03 56.63 1s77 h ASP 874 Cb 0.18 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.63 1s77 h ASP 874 CO 0.00 0.43 0.60 0.40 -3.12 0.00 0.00 179.24 177.54 1s77 h ILE 875 N 0.00 0.64 -0.07 0.35 2.04 -1.43 0.29 117.51 119.32 1s77 h ILE 875 Ca -0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1s77 h ILE 875 Cb 0.81 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1s77 h ILE 875 CO 0.06 0.04 -0.01 -0.07 0.00 0.00 0.00 178.15 178.17 1s77 h LEU 876 N 0.24 0.09 -3.12 1.44 4.07 -1.70 -2.08 115.31 114.25 1s77 h LEU 876 Ca 0.44 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.40 1s77 h LEU 876 Cb 1.34 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.06 1s77 h LEU 876 CO -0.11 0.12 0.00 -0.62 -1.08 0.00 0.00 178.44 176.75 1s77 n GLU 877 N -4.46 3.56 -3.26 1.13 -0.58 0.99 -4.90 120.64 113.11 1s77 n GLU 877 Ca -0.02 -2.79 -0.41 0.00 -0.42 0.00 0.00 57.16 53.52 1s77 n GLU 877 Cb 0.13 -1.82 -0.08 0.00 -0.57 0.00 0.00 31.44 29.11 1s77 n GLU 877 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1s77 s SER 878 N -1.04 6.33 0.20 1.62 0.15 -0.78 -4.36 113.70 115.82 1s77 s SER 878 Ca 0.47 0.12 -0.08 0.00 0.70 0.00 0.00 55.95 57.15 1s77 s SER 878 Cb 0.31 -2.26 0.11 0.00 -1.71 0.00 0.00 66.02 62.47 1s77 s SER 878 CO 0.22 -0.40 1.70 0.44 1.20 0.00 0.00 173.24 176.40 1s77 h ASP 879 N 8.33 1.08 -0.24 5.45 3.45 -1.87 -3.31 116.42 129.32 1s77 h ASP 879 Ca -0.29 -0.25 0.00 0.00 0.43 0.00 0.00 57.03 56.92 1s77 h ASP 879 Cb 1.13 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 39.62 1s77 h ASP 879 CO 0.74 1.06 0.00 0.49 -1.57 0.00 0.00 179.24 179.96 1s77 n PHE 880 N -4.21 0.29 -0.07 4.55 3.72 -1.26 -4.43 117.46 116.04 1s77 n PHE 880 Ca 0.05 -0.15 -0.13 0.00 -0.05 0.00 0.00 57.45 57.17 1s77 n PHE 880 Cb 0.29 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 1s77 n PHE 880 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s77 h ALA 881 N 4.46 0.31 -0.73 4.37 0.00 -1.64 -3.43 119.26 122.59 1s77 h ALA 881 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1s77 h ALA 881 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1s77 h ALA 881 CO 0.00 0.24 0.00 1.19 0.00 0.00 0.00 179.25 180.68 1s77 n PHE 882 N -4.44 0.00 0.41 0.00 0.99 -1.26 -3.54 117.46 109.62 1s77 n PHE 882 Ca -0.05 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.43 1s77 n PHE 882 Cb 0.40 0.00 0.19 0.00 -1.00 0.00 0.00 39.48 39.08 1s77 n PHE 882 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76