#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a77 n VAL 3 N 0.00 0.65 -1.94 1.61 0.31 -1.26 -4.86 118.33 112.85 1a77 n VAL 3 Ca 0.00 -0.16 -0.42 0.00 -0.01 0.00 0.00 64.34 63.75 1a77 n VAL 3 Cb 0.00 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1a77 n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a77 n GLN 4 N 2.52 3.21 0.10 5.55 1.13 -1.26 -4.57 117.38 124.08 1a77 n GLN 4 Ca 0.13 -2.94 -0.02 0.00 -1.94 0.00 0.00 57.00 52.23 1a77 n GLN 4 Cb 0.32 -3.12 -0.04 0.00 0.11 0.00 0.00 30.24 27.51 1a77 n GLN 4 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1a77 h PHE 5 N 5.82 0.00 0.00 1.08 0.04 -2.00 -3.43 116.94 118.46 1a77 h PHE 5 Ca 0.52 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.29 1a77 h PHE 5 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1a77 h PHE 5 CO 1.41 0.72 0.00 0.41 -0.60 0.00 0.00 178.31 180.25 1a77 n GLY 6 N 1.28 -0.06 0.28 -1.45 0.00 -1.26 -0.75 105.19 103.23 1a77 n GLY 6 Ca 0.01 0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.23 1a77 n GLY 6 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a77 h ASP 7 N 0.00 0.00 -0.02 1.61 3.32 -2.01 -3.22 116.42 116.11 1a77 h ASP 7 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1a77 h ASP 7 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1a77 h ASP 7 CO 0.00 0.00 -0.09 0.49 -1.72 0.00 0.00 179.24 177.92 1a77 n PHE 8 N -2.86 0.00 -4.63 4.55 3.72 0.07 -4.99 117.46 113.33 1a77 n PHE 8 Ca -0.02 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.11 1a77 n PHE 8 Cb 0.12 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.52 1a77 n PHE 8 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1a77 s ILE 9 N -1.44 1.95 0.33 4.37 -4.36 -1.11 -5.04 121.20 115.90 1a77 s ILE 9 Ca 0.16 -1.43 -0.29 0.00 -0.26 0.00 0.00 60.65 58.83 1a77 s ILE 9 Cb 0.13 -1.71 -0.11 0.00 1.25 0.00 0.00 42.46 42.02 1a77 s ILE 9 CO 0.25 0.20 1.43 -2.16 0.24 0.00 0.00 174.94 174.90 1a77 s PRO 10 N -1.49 4.22 0.10 0.37 0.04 -1.26 -4.93 135.00 132.05 1a77 s PRO 10 Ca 0.10 2.41 -0.13 0.00 0.04 0.00 0.00 61.00 63.42 1a77 s PRO 10 Cb -0.10 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.43 1a77 s PRO 10 CO 0.03 -0.41 0.30 -1.59 0.04 0.00 0.00 177.00 175.37 1a77 s LYS 11 N -1.46 0.94 -0.01 4.56 0.00 -1.26 -4.67 119.74 117.84 1a77 s LYS 11 Ca 0.54 -0.79 -0.00 0.00 0.00 0.00 0.00 55.97 55.72 1a77 s LYS 11 Cb -0.44 0.40 0.01 0.00 0.00 0.00 0.00 37.83 37.81 1a77 s LYS 11 CO 0.54 -0.34 0.02 -0.80 0.00 0.00 0.00 175.35 174.77 1a77 s ASN 12 N -2.75 0.03 0.17 0.03 0.01 -0.49 -5.00 114.94 106.94 1a77 s ASN 12 Ca 0.03 0.02 -0.30 0.00 -0.71 0.00 0.00 52.86 51.90 1a77 s ASN 12 Cb 0.03 -0.02 -0.08 0.00 0.41 0.00 0.00 41.25 41.58 1a77 s ASN 12 CO -0.11 -0.06 1.30 -0.63 -1.51 0.00 0.00 177.10 176.09 1a77 s ILE 13 N 0.47 3.37 0.07 0.60 1.01 -1.26 -0.53 121.20 124.93 1a77 s ILE 13 Ca -0.04 1.08 0.08 0.00 0.00 0.00 0.00 60.65 61.77 1a77 s ILE 13 Cb -0.06 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1a77 s ILE 13 CO -0.01 0.14 -0.21 -0.51 0.00 0.00 0.00 174.94 174.35 1a77 s ILE 14 N 0.38 1.67 0.53 2.92 2.07 -0.74 -4.88 121.20 123.16 1a77 s ILE 14 Ca 0.58 -1.38 -0.05 0.00 -1.41 0.00 0.00 60.65 58.39 1a77 s ILE 14 Cb -0.35 -1.49 -0.02 0.00 0.13 0.00 0.00 42.46 40.73 1a77 s ILE 14 CO 0.35 0.06 0.84 -0.94 -1.91 0.00 0.00 174.94 173.34 1a77 s SER 15 N -1.57 5.97 0.32 4.50 1.04 -1.26 -3.89 113.70 118.82 1a77 s SER 15 Ca 0.07 0.84 0.05 0.00 0.48 0.00 0.00 55.95 57.38 1a77 s SER 15 Cb -0.09 -2.01 0.55 0.00 0.10 0.00 0.00 66.02 64.56 1a77 s SER 15 CO 0.03 -0.79 1.81 0.15 0.98 0.00 0.00 173.24 175.42 1a77 h PHE 16 N 0.05 0.46 -0.74 5.02 3.57 -1.99 -2.81 116.94 120.50 1a77 h PHE 16 Ca -0.46 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 60.93 1a77 h PHE 16 Cb 1.23 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 1a77 h PHE 16 CO 0.54 0.57 0.33 1.49 -2.23 0.00 0.00 178.31 179.01 1a77 h GLU 17 N 0.39 1.09 0.00 1.11 4.81 -1.95 -1.70 114.58 118.33 1a77 h GLU 17 Ca 0.07 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1a77 h GLU 17 Cb 0.51 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1a77 h GLU 17 CO 0.03 0.87 0.00 -0.25 -0.73 0.00 0.00 179.01 178.93 1a77 n ASP 18 N -4.37 0.00 -0.00 1.04 8.00 -1.07 -1.62 116.55 118.52 1a77 n ASP 18 Ca 0.06 -0.31 0.10 0.00 0.71 0.00 0.00 54.79 55.35 1a77 n ASP 18 Cb 0.16 -0.17 -0.13 0.00 -0.02 0.00 0.00 41.12 40.96 1a77 n ASP 18 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1a77 n LEU 19 N -1.17 0.77 -4.64 0.64 4.32 -0.67 -4.97 117.00 111.28 1a77 n LEU 19 Ca 0.13 -0.38 -0.47 0.00 -0.02 0.00 0.00 56.01 55.27 1a77 n LEU 19 Cb 0.13 -0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.90 1a77 n LEU 19 CO 0.15 0.19 0.98 1.17 -1.22 0.00 0.00 177.39 178.67 1a77 n LYS 20 N -1.67 1.77 -0.51 3.23 0.00 -0.64 -1.98 118.16 118.36 1a77 n LYS 20 Ca 0.02 0.63 0.00 0.00 0.00 0.00 0.00 58.31 58.97 1a77 n LYS 20 Cb 0.38 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.13 1a77 n LYS 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a77 n GLY 21 N 2.47 1.65 3.85 3.14 0.00 0.25 -4.98 105.19 111.56 1a77 n GLY 21 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1a77 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a77 s LYS 22 N -0.12 4.00 -0.09 1.61 -0.14 -0.84 -4.87 119.74 119.30 1a77 s LYS 22 Ca 0.00 0.61 -0.05 0.00 -1.36 0.00 0.00 55.97 55.17 1a77 s LYS 22 Cb 0.00 -2.58 -0.04 0.00 -1.68 0.00 0.00 37.83 33.53 1a77 s LYS 22 CO 0.00 0.25 0.12 0.15 -0.76 0.00 0.00 175.35 175.11 1a77 s LYS 23 N -2.72 3.33 0.06 1.68 1.02 -1.26 -1.89 119.74 119.97 1a77 s LYS 23 Ca 0.50 -0.24 0.01 0.00 0.02 0.00 0.00 55.97 56.26 1a77 s LYS 23 Cb -0.12 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 1a77 s LYS 23 CO 0.19 0.74 -0.06 0.14 -0.92 0.00 0.00 175.35 175.43 1a77 s VAL 24 N -1.07 0.52 -0.32 3.17 -7.23 -0.65 0.10 120.40 114.92 1a77 s VAL 24 Ca 0.17 -1.50 -0.10 0.00 -1.81 0.00 0.00 61.98 58.74 1a77 s VAL 24 Cb -0.12 -1.13 -0.00 0.00 0.56 0.00 0.00 36.38 35.69 1a77 s VAL 24 CO 0.07 -0.67 0.17 0.00 -0.31 0.00 0.00 175.10 174.35 1a77 s ALA 25 N -2.63 3.29 -0.02 1.32 0.00 -0.26 -1.41 121.76 122.05 1a77 s ALA 25 Ca 0.00 -1.44 -0.25 0.00 0.00 0.00 0.00 51.96 50.27 1a77 s ALA 25 Cb -0.01 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1a77 s ALA 25 CO -0.03 -0.99 0.76 0.42 0.00 0.00 0.00 175.76 175.92 1a77 s ILE 26 N 1.61 4.93 -0.79 0.00 1.01 0.14 -0.27 121.20 127.82 1a77 s ILE 26 Ca 0.04 1.58 -0.26 0.00 0.00 0.00 0.00 60.65 62.02 1a77 s ILE 26 Cb -0.17 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.22 1a77 s ILE 26 CO 0.07 0.27 1.42 -0.62 0.00 0.00 0.00 174.94 176.08 1a77 s ASP 27 N 0.57 6.07 0.12 3.58 -1.08 -0.14 -0.77 116.67 125.03 1a77 s ASP 27 Ca 0.40 -0.58 -0.31 0.00 -0.52 0.00 0.00 52.55 51.54 1a77 s ASP 27 Cb -0.19 -2.56 -0.09 0.00 -1.46 0.00 0.00 42.92 38.62 1a77 s ASP 27 CO 0.21 -1.88 1.59 1.23 0.52 0.00 0.00 175.17 176.84 1a77 h GLY 28 N 13.65 -0.82 1.01 2.66 0.00 -0.95 -0.27 103.07 118.34 1a77 h GLY 28 Ca -0.15 0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.70 1a77 h GLY 28 CO 1.30 -0.26 0.56 -0.33 0.00 0.00 0.00 176.54 177.81 1a77 h MET 29 N -0.62 1.12 -0.80 4.80 2.86 -1.90 0.34 114.93 120.73 1a77 h MET 29 Ca 0.03 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1a77 h MET 29 Cb 0.67 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 1a77 h MET 29 CO -0.28 0.74 0.48 -0.97 1.06 0.00 0.00 176.91 177.94 1a77 h ASN 30 N 1.15 0.97 -0.33 1.22 -0.73 -1.88 -1.81 115.58 114.16 1a77 h ASN 30 Ca 0.31 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.38 1a77 h ASN 30 Cb -0.13 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.20 1a77 h ASN 30 CO -0.07 0.75 0.08 0.00 -0.37 0.00 0.00 177.43 177.82 1a77 h ALA 31 N 1.26 0.44 -0.57 1.57 0.00 -0.21 -1.67 119.26 120.09 1a77 h ALA 31 Ca 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1a77 h ALA 31 Cb -0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1a77 h ALA 31 CO -0.05 0.11 0.24 -0.07 0.00 0.00 0.00 179.25 179.48 1a77 h LEU 32 N 0.38 0.74 -0.49 0.00 4.07 -0.73 -0.07 115.31 119.21 1a77 h LEU 32 Ca 0.10 -0.09 -0.16 0.00 0.08 0.00 0.00 57.88 57.82 1a77 h LEU 32 Cb 0.31 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1a77 h LEU 32 CO 0.00 0.66 -0.45 1.88 -1.08 0.00 0.00 178.44 179.45 1a77 h TYR 33 N 0.81 0.90 -0.36 1.13 0.05 -1.25 -2.29 116.97 115.95 1a77 h TYR 33 Ca 0.19 -0.28 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 1a77 h TYR 33 Cb 0.14 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1a77 h TYR 33 CO 0.01 1.05 0.22 0.37 -1.05 0.00 0.00 178.16 178.76 1a77 h GLN 34 N 0.59 0.49 -0.62 4.88 5.75 -0.55 -1.79 115.11 123.86 1a77 h GLN 34 Ca 0.04 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1a77 h GLN 34 Cb 1.01 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.43 1a77 h GLN 34 CO 0.10 0.37 0.29 0.74 -2.65 0.00 0.00 178.83 177.68 1a77 h PHE 35 N 0.47 0.90 -0.54 3.99 0.04 -0.95 -0.56 116.94 120.28 1a77 h PHE 35 Ca 0.13 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 1a77 h PHE 35 Cb 0.01 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 37.86 1a77 h PHE 35 CO -0.04 0.69 0.18 -0.07 -0.60 0.00 0.00 178.31 178.47 1a77 h LEU 36 N 0.85 0.74 0.08 1.54 3.38 -1.20 0.81 115.31 121.50 1a77 h LEU 36 Ca 0.21 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 1a77 h LEU 36 Cb 0.13 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.71 1a77 h LEU 36 CO -0.03 0.69 -0.89 0.71 0.09 0.00 0.00 178.44 179.02 1a77 h THR 37 N 0.78 1.40 0.00 0.22 1.35 -0.99 -3.40 112.91 112.27 1a77 h THR 37 Ca 0.18 -2.34 -0.01 0.00 -0.55 0.00 0.00 66.41 63.69 1a77 h THR 37 Cb 0.22 2.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1a77 h THR 37 CO -0.01 0.69 -1.77 -1.54 -0.25 0.00 0.00 175.52 172.63 1a77 n SER 38 N -4.04 0.21 -4.38 5.36 3.41 -0.25 -4.68 113.62 109.25 1a77 n SER 38 Ca -0.12 0.08 -0.45 0.00 -0.26 0.00 0.00 58.87 58.11 1a77 n SER 38 Cb 0.83 1.59 -0.01 0.00 -0.26 0.00 0.00 64.21 66.35 1a77 n SER 38 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1a77 s ILE 39 N -3.45 5.55 0.34 -1.33 1.01 0.27 -4.97 121.20 118.63 1a77 s ILE 39 Ca -0.06 -2.79 0.03 0.00 0.00 0.00 0.00 60.65 57.83 1a77 s ILE 39 Cb 0.13 -4.65 -0.01 0.00 0.01 0.00 0.00 42.46 37.93 1a77 s ILE 39 CO 0.88 -1.27 0.11 0.54 0.00 0.00 0.00 174.94 175.19 1a77 n ARG 40 N 4.10 0.69 -1.07 2.79 1.74 -1.26 -3.93 116.66 119.71 1a77 n ARG 40 Ca 0.24 -2.84 -0.08 0.00 -0.77 0.00 0.00 57.85 54.40 1a77 n ARG 40 Cb 0.43 1.45 0.05 0.00 -1.02 0.00 0.00 32.46 33.37 1a77 n ARG 40 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1a77 n LEU 41 N 0.00 0.00 -0.09 0.55 4.32 0.38 -4.88 117.00 117.28 1a77 n LEU 41 Ca -0.06 -0.63 -0.06 0.00 -0.02 0.00 0.00 56.01 55.23 1a77 n LEU 41 Cb 0.50 -0.25 0.13 0.00 -1.62 0.00 0.00 43.42 42.17 1a77 n LEU 41 CO 0.26 -0.71 0.77 0.03 -1.22 0.00 0.00 177.39 176.53 1a77 h ARG 42 N 0.00 0.76 -0.90 3.23 3.08 -2.01 -2.70 114.38 115.83 1a77 h ARG 42 Ca -0.12 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 59.58 1a77 h ARG 42 Cb 0.40 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1a77 h ARG 42 CO 0.11 0.86 0.11 -0.40 -1.07 0.00 0.00 179.97 179.58 1a77 n ASP 43 N -4.15 3.09 -0.68 7.04 5.75 -1.26 -4.85 116.55 121.50 1a77 n ASP 43 Ca 0.01 -2.49 -0.09 0.00 -0.01 0.00 0.00 54.79 52.21 1a77 n ASP 43 Cb 0.38 -0.60 -0.04 0.00 -1.03 0.00 0.00 41.12 39.83 1a77 n ASP 43 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a77 n GLY 44 N 0.08 0.98 3.84 6.12 0.00 -1.02 -4.99 105.19 110.20 1a77 n GLY 44 Ca 0.17 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1a77 n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a77 s SER 45 N -2.52 6.84 0.75 1.61 1.04 -1.26 -4.74 113.70 115.42 1a77 s SER 45 Ca 0.00 1.02 -0.13 0.00 0.48 0.00 0.00 55.95 57.32 1a77 s SER 45 Cb 0.00 -2.27 0.05 0.00 0.10 0.00 0.00 66.02 63.90 1a77 s SER 45 CO 0.00 0.24 1.13 -2.16 0.98 0.00 0.00 173.24 173.43 1a77 s PRO 46 N -1.44 2.20 0.22 4.02 0.04 -1.26 0.14 135.00 138.92 1a77 s PRO 46 Ca 0.30 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 1a77 s PRO 46 Cb -0.16 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1a77 s PRO 46 CO 0.17 -1.73 1.21 -0.51 0.04 0.00 0.00 177.00 176.18 1a77 s LEU 47 N -5.51 4.46 0.04 -3.56 1.02 -1.25 -4.71 118.68 109.16 1a77 s LEU 47 Ca 0.67 2.32 -0.00 0.00 0.02 0.00 0.00 54.13 57.14 1a77 s LEU 47 Cb -0.22 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.34 1a77 s LEU 47 CO 0.49 -0.37 -0.03 -0.13 0.02 0.00 0.00 176.35 176.33 1a77 s ARG 48 N -0.65 0.54 0.62 1.70 0.52 -1.26 -0.65 118.95 119.77 1a77 s ARG 48 Ca 0.51 -1.04 -0.06 0.00 -0.52 0.00 0.00 55.73 54.62 1a77 s ARG 48 Cb -0.34 0.15 0.13 0.00 0.52 0.00 0.00 34.95 35.41 1a77 s ARG 48 CO 0.40 -0.08 0.84 0.27 0.02 0.00 0.00 175.30 176.75 1a77 n ASN 49 N 0.55 0.56 0.05 0.23 2.04 0.10 -4.85 115.26 113.95 1a77 n ASN 49 Ca -0.17 -1.61 0.08 0.00 -0.44 0.00 0.00 54.58 52.44 1a77 n ASN 49 Cb 0.59 -0.60 0.35 0.00 -2.53 0.00 0.00 39.78 37.60 1a77 n ASN 49 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1a77 n ARG 50 N -2.68 0.07 -0.04 -3.83 5.12 -1.26 -1.55 116.66 112.49 1a77 n ARG 50 Ca 0.12 0.36 0.12 0.00 -1.93 0.00 0.00 57.85 56.53 1a77 n ARG 50 Cb 0.43 -1.65 0.40 0.00 -1.16 0.00 0.00 32.46 30.47 1a77 n ARG 50 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1a77 n LYS 51 N -1.79 1.84 -0.67 5.56 4.76 -1.26 -4.91 118.16 121.68 1a77 n LYS 51 Ca 0.02 -1.23 0.00 0.00 -2.87 0.00 0.00 58.31 54.23 1a77 n LYS 51 Cb 0.16 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 1a77 n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a77 n GLY 52 N 1.21 0.74 3.75 0.72 0.00 -0.59 -5.04 105.19 105.97 1a77 n GLY 52 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1a77 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a77 s GLU 53 N -0.33 4.55 0.15 1.61 2.02 -1.26 -4.78 118.70 120.66 1a77 s GLU 53 Ca 0.00 1.16 -0.31 0.00 0.02 0.00 0.00 54.97 55.84 1a77 s GLU 53 Cb 0.00 -3.35 -0.08 0.00 0.10 0.00 0.00 34.13 30.80 1a77 s GLU 53 CO 0.00 0.31 1.33 0.42 0.02 0.00 0.00 175.26 177.34 1a77 s ILE 54 N -0.21 3.35 0.00 -1.63 1.01 -1.26 0.02 121.20 122.48 1a77 s ILE 54 Ca 0.40 1.03 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1a77 s ILE 54 Cb -0.21 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1a77 s ILE 54 CO 0.25 0.11 0.56 0.35 0.00 0.00 0.00 174.94 176.21 1a77 n THR 55 N 3.36 0.16 -0.27 2.92 -2.24 0.18 -4.79 114.28 113.60 1a77 n THR 55 Ca 0.09 -0.56 0.08 0.00 -2.27 0.00 0.00 64.05 61.39 1a77 n THR 55 Cb 0.43 0.95 0.22 0.00 -2.10 0.00 0.00 70.33 69.83 1a77 n THR 55 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1a77 h SER 56 N 0.00 -0.08 -0.44 3.42 0.02 -1.85 -0.50 113.55 114.12 1a77 h SER 56 Ca 0.00 0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1a77 h SER 56 Cb 0.10 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1a77 h SER 56 CO 0.00 -0.12 0.11 0.00 -1.14 0.00 0.00 176.83 175.68 1a77 h ALA 57 N 1.70 0.57 -0.65 3.77 0.00 -1.86 -2.03 119.26 120.76 1a77 h ALA 57 Ca 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1a77 h ALA 57 Cb 0.87 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1a77 h ALA 57 CO -0.61 0.25 0.31 1.88 0.00 0.00 0.00 179.25 181.09 1a77 h TYR 58 N 0.57 0.91 -0.15 0.00 0.05 -1.52 -0.94 116.97 115.89 1a77 h TYR 58 Ca 0.14 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 1a77 h TYR 58 Cb 0.31 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1a77 h TYR 58 CO 0.02 0.66 0.09 -0.97 -1.05 0.00 0.00 178.16 176.91 1a77 h ASN 59 N 0.91 0.18 -0.34 3.88 -0.73 -0.83 -1.69 115.58 116.96 1a77 h ASN 59 Ca 0.23 -0.05 -0.06 0.00 1.87 0.00 0.00 56.30 58.29 1a77 h ASN 59 Cb 0.09 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 1a77 h ASN 59 CO -0.03 0.17 -0.03 1.23 -0.37 0.00 0.00 177.43 178.40 1a77 h GLY 60 N 0.17 0.67 0.59 1.57 0.00 -1.03 -1.79 103.07 103.25 1a77 h GLY 60 Ca 0.05 -0.52 0.06 0.00 0.00 0.00 0.00 47.33 46.92 1a77 h GLY 60 CO -0.01 0.47 0.17 -2.08 0.00 0.00 0.00 176.54 175.10 1a77 h VAL 61 N 0.41 0.86 0.32 4.60 2.07 -1.09 -0.01 116.25 123.42 1a77 h VAL 61 Ca 0.09 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1a77 h VAL 61 Cb 0.51 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1a77 h VAL 61 CO 0.02 0.06 -0.15 0.15 0.02 0.00 0.00 177.57 177.67 1a77 h PHE 62 N 0.35 -0.40 -0.45 1.57 3.57 -1.27 -2.99 116.94 117.31 1a77 h PHE 62 Ca 0.22 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 1a77 h PHE 62 Cb 0.21 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1a77 h PHE 62 CO -0.15 -0.25 -0.10 1.88 -2.23 0.00 0.00 178.31 177.46 1a77 h TYR 63 N -0.71 0.97 -0.48 0.41 0.05 -1.39 -2.68 116.97 113.14 1a77 h TYR 63 Ca -0.04 -0.21 -0.05 0.00 0.05 0.00 0.00 58.73 58.48 1a77 h TYR 63 Cb 0.33 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1a77 h TYR 63 CO 0.05 0.96 0.11 -0.22 -1.05 0.00 0.00 178.16 178.01 1a77 h LYS 64 N 0.71 0.78 -0.90 4.88 1.63 -1.15 -1.29 116.57 121.23 1a77 h LYS 64 Ca 0.12 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 1a77 h LYS 64 Cb 0.64 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.13 1a77 h LYS 64 CO 0.04 0.77 0.48 1.15 -3.45 0.00 0.00 179.45 178.44 1a77 h THR 65 N 0.66 1.26 -0.47 1.00 2.02 -1.51 -2.31 112.91 113.56 1a77 h THR 65 Ca 0.15 -0.66 -0.13 0.00 0.77 0.00 0.00 66.41 66.54 1a77 h THR 65 Cb 0.34 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1a77 h THR 65 CO 0.00 0.30 -0.22 0.40 0.37 0.00 0.00 175.52 176.37 1a77 h ILE 66 N 1.26 1.27 -0.71 3.11 2.04 -1.34 -2.48 117.51 120.66 1a77 h ILE 66 Ca 0.31 -1.38 0.07 0.00 1.00 0.00 0.00 64.86 64.86 1a77 h ILE 66 Cb 0.04 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1a77 h ILE 66 CO -0.05 0.48 0.40 -0.74 0.00 0.00 0.00 178.15 178.23 1a77 h HIS 67 N 0.84 0.72 -0.01 1.37 2.76 -0.77 0.31 115.15 120.38 1a77 h HIS 67 Ca 0.11 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1a77 h HIS 67 Cb 0.79 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.53 1a77 h HIS 67 CO 0.05 0.33 0.00 -0.07 -1.30 0.00 0.00 177.93 176.94 1a77 h LEU 68 N 0.71 0.01 -1.51 0.26 4.07 -1.32 -2.93 115.31 114.61 1a77 h LEU 68 Ca 0.32 -0.21 0.05 0.00 0.08 0.00 0.00 57.88 58.12 1a77 h LEU 68 Cb 0.23 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.93 1a77 h LEU 68 CO -0.20 0.22 0.39 -0.07 -1.08 0.00 0.00 178.44 177.70 1a77 h LEU 69 N -0.20 0.54 -1.88 1.67 3.38 -0.96 0.17 115.31 118.02 1a77 h LEU 69 Ca 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1a77 h LEU 69 Cb 0.21 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1a77 h LEU 69 CO -0.00 0.36 -0.13 -0.33 0.09 0.00 0.00 178.44 178.43 1a77 h GLU 70 N 0.62 0.00 -0.67 1.13 4.39 -0.79 -1.47 114.58 117.80 1a77 h GLU 70 Ca 0.25 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.71 1a77 h GLU 70 Cb 0.21 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.71 1a77 h GLU 70 CO -0.07 0.13 0.25 0.09 -1.16 0.00 0.00 179.01 178.25 1a77 n ASN 71 N -3.92 4.16 -3.31 1.42 4.13 0.48 -4.94 115.26 113.28 1a77 n ASN 71 Ca -0.02 -3.36 -0.24 0.00 1.68 0.00 0.00 54.58 52.64 1a77 n ASN 71 Cb 0.22 -0.72 0.03 0.00 -1.54 0.00 0.00 39.78 37.77 1a77 n ASN 71 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1a77 n ASP 72 N -0.53 -5.32 -4.25 6.41 2.03 -0.55 -4.03 116.55 110.31 1a77 n ASP 72 Ca 0.41 -0.41 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 1a77 n ASP 72 Cb 1.33 -4.29 -0.13 0.00 -0.72 0.00 0.00 41.12 37.30 1a77 n ASP 72 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1a77 s ILE 73 N -3.14 3.35 -0.48 5.18 1.01 -0.46 0.85 121.20 127.50 1a77 s ILE 73 Ca 0.42 -1.04 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 1a77 s ILE 73 Cb -0.20 -2.79 0.03 0.00 0.01 0.00 0.00 42.46 39.51 1a77 s ILE 73 CO 0.51 0.03 0.77 -0.89 0.00 0.00 0.00 174.94 175.36 1a77 s THR 74 N 1.37 4.66 0.11 2.92 2.01 -0.79 -3.25 115.64 122.67 1a77 s THR 74 Ca -0.01 0.17 -0.10 0.00 0.31 0.00 0.00 61.69 62.07 1a77 s THR 74 Cb -0.18 -4.35 -0.06 0.00 0.01 0.00 0.00 72.50 67.92 1a77 s THR 74 CO -0.01 -0.80 0.43 -2.16 -0.69 0.00 0.00 174.62 171.39 1a77 s PRO 75 N 3.24 3.77 -0.14 4.92 0.04 -1.26 -1.64 135.00 143.93 1a77 s PRO 75 Ca 0.26 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1a77 s PRO 75 Cb -0.14 -2.93 0.02 0.00 0.04 0.00 0.00 34.50 31.50 1a77 s PRO 75 CO 0.19 0.51 -0.13 -1.50 0.04 0.00 0.00 177.00 176.11 1a77 s ILE 76 N -1.49 1.49 0.08 0.56 2.07 -0.50 -4.53 121.20 118.87 1a77 s ILE 76 Ca 0.36 -0.58 -0.29 0.00 -1.41 0.00 0.00 60.65 58.73 1a77 s ILE 76 Cb -0.13 -1.41 -0.05 0.00 0.13 0.00 0.00 42.46 41.00 1a77 s ILE 76 CO 0.19 0.44 0.93 0.26 -1.91 0.00 0.00 174.94 174.86 1a77 s TRP 77 N 1.50 3.77 -0.21 3.50 0.52 -0.58 -0.68 118.94 126.76 1a77 s TRP 77 Ca 0.04 1.73 -0.00 0.00 0.02 0.00 0.00 56.10 57.89 1a77 s TRP 77 Cb -0.13 -3.03 0.02 0.00 -1.15 0.00 0.00 33.47 29.18 1a77 s TRP 77 CO -0.10 0.18 -0.13 0.08 0.02 0.00 0.00 176.95 176.99 1a77 s VAL 78 N 0.18 2.50 0.31 4.03 1.01 0.05 -0.24 120.40 128.25 1a77 s VAL 78 Ca 0.46 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.62 1a77 s VAL 78 Cb -0.22 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1a77 s VAL 78 CO 0.28 0.42 0.20 -0.36 0.00 0.00 0.00 175.10 175.64 1a77 s PHE 79 N 1.33 2.87 0.77 5.22 0.08 -0.27 -0.27 117.98 127.71 1a77 s PHE 79 Ca 0.03 -0.27 -0.11 0.00 0.12 0.00 0.00 56.93 56.70 1a77 s PHE 79 Cb -0.14 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.75 1a77 s PHE 79 CO -0.09 0.34 1.08 -0.51 -0.10 0.00 0.00 175.22 175.94 1a77 s ASP 80 N -3.89 4.64 0.73 1.36 1.01 -1.26 -1.19 116.67 118.07 1a77 s ASP 80 Ca 0.37 1.62 0.00 0.00 0.71 0.00 0.00 52.55 55.25 1a77 s ASP 80 Cb -0.05 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1a77 s ASP 80 CO 0.24 -1.92 0.00 0.61 0.21 0.00 0.00 175.17 174.32 1a77 n GLY 81 N -1.60 -1.26 3.57 0.21 0.00 0.11 -4.32 105.19 101.89 1a77 n GLY 81 Ca 0.08 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 1a77 n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a77 s GLU 82 N -2.19 2.50 0.33 1.61 2.12 -1.24 -4.89 118.70 116.94 1a77 s GLU 82 Ca 0.00 1.47 0.10 0.00 0.36 0.00 0.00 54.97 56.90 1a77 s GLU 82 Cb 0.00 -4.48 1.01 0.00 0.26 0.00 0.00 34.13 30.91 1a77 s GLU 82 CO 0.00 -2.83 1.58 -1.35 -0.54 0.00 0.00 175.26 172.12 1a77 h PRO 83 N 17.48 0.03 -0.60 4.30 0.11 -1.96 0.25 132.00 151.61 1a77 h PRO 83 Ca -0.29 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 1a77 h PRO 83 Cb 1.24 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1a77 h PRO 83 CO 1.11 0.02 0.18 -1.35 -0.21 0.00 0.00 178.00 177.75 1a77 h PRO 84 N 0.03 0.94 -4.08 1.05 0.11 -2.03 -3.41 132.00 124.61 1a77 h PRO 84 Ca 0.70 -0.20 -0.51 0.00 0.11 0.00 0.00 66.00 66.10 1a77 h PRO 84 Cb 1.65 -0.13 -0.37 0.00 0.11 0.00 0.00 31.00 32.26 1a77 h PRO 84 CO -0.83 0.84 -0.79 0.21 -0.21 0.00 0.00 178.00 177.21 1a77 s LYS 85 N -5.40 1.28 0.00 1.05 2.36 0.86 -4.97 119.74 114.93 1a77 s LYS 85 Ca -0.13 -0.19 0.00 0.00 -2.55 0.00 0.00 55.97 53.10 1a77 s LYS 85 Cb 0.13 -1.49 0.00 0.00 -1.05 0.00 0.00 37.83 35.42 1a77 s LYS 85 CO 0.81 -0.30 0.09 1.28 1.55 0.00 0.00 175.35 178.78 1a77 n LEU 86 N 4.99 0.15 -4.39 5.43 4.77 -1.21 -3.64 117.00 123.09 1a77 n LEU 86 Ca -0.11 -0.15 -0.49 0.00 -0.03 0.00 0.00 56.01 55.23 1a77 n LEU 86 Cb 0.50 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 1a77 n LEU 86 CO 0.15 0.04 2.00 0.29 -1.33 0.00 0.00 177.39 178.53 1a77 n LYS 87 N -0.00 0.08 -2.85 3.23 4.01 -1.26 -4.37 118.16 116.99 1a77 n LYS 87 Ca 0.00 0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.39 1a77 n LYS 87 Cb 0.22 -1.60 -0.04 0.00 -0.51 0.00 0.00 35.03 33.11 1a77 n LYS 87 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1a77 s GLU 88 N 7.61 4.23 0.00 1.97 -1.05 -1.23 -4.76 118.70 125.47 1a77 s GLU 88 Ca 1.27 1.03 0.00 0.00 -0.15 0.00 0.00 54.97 57.12 1a77 s GLU 88 Cb -1.31 -3.62 0.00 0.00 -0.44 0.00 0.00 34.13 28.76 1a77 s GLU 88 CO 0.55 -0.47 0.00 1.63 0.95 0.00 0.00 175.26 177.92 1a77 n LYS 89 N 5.79 0.00 -2.64 -4.83 5.02 -1.26 0.20 118.16 120.44 1a77 n LYS 89 Ca 0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.92 1a77 n LYS 89 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 1a77 n LYS 89 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1a77 n THR 90 N 0.00 4.49 -2.76 -0.18 -1.04 -1.20 -4.49 114.28 109.10 1a77 n THR 90 Ca 0.00 -4.77 -0.09 0.00 -2.04 0.00 0.00 64.05 57.15 1a77 n THR 90 Cb 0.00 -2.35 0.08 0.00 -1.82 0.00 0.00 70.33 66.24 1a77 n THR 90 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1a77 n ARG 91 N 3.82 1.10 0.00 -2.82 0.00 0.54 -4.46 116.66 114.84 1a77 n ARG 91 Ca 0.36 -2.22 0.00 0.00 -0.00 0.00 0.00 57.85 55.99 1a77 n ARG 91 Cb 0.37 -0.73 0.00 0.00 0.00 0.00 0.00 32.46 32.11 1a77 n ARG 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1a77 n LYS 92 N -0.10 1.15 -0.26 -0.14 0.00 -1.26 -3.55 118.16 114.00 1a77 n LYS 92 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.29 1a77 n LYS 92 Cb 0.77 -0.53 -0.06 0.00 -0.00 0.00 0.00 35.03 35.21 1a77 n LYS 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1a77 n VAL 93 N -0.50 -0.42 0.00 0.58 0.31 -1.26 -4.54 118.33 112.50 1a77 n VAL 93 Ca 0.00 1.69 0.00 0.00 -0.01 0.00 0.00 64.34 66.02 1a77 n VAL 93 Cb 0.02 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 30.85 1a77 n VAL 93 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1a77 n ARG 94 N -4.53 0.00 -4.43 5.55 0.00 -1.26 -5.13 116.66 106.85 1a77 n ARG 94 Ca 0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.64 1a77 n ARG 94 Cb 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.52 1a77 n ARG 94 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1a77 s ARG 95 N 3.29 1.56 0.00 -0.14 1.04 -1.26 -5.00 118.95 118.43 1a77 s ARG 95 Ca 0.00 -1.74 0.05 0.00 -1.04 0.00 0.00 55.73 52.99 1a77 s ARG 95 Cb 0.00 -1.38 0.08 0.00 -2.04 0.00 0.00 34.95 31.61 1a77 s ARG 95 CO 0.00 0.17 0.89 -1.91 -0.04 0.00 0.00 175.30 174.41 1a77 n GLU 96 N -0.56 1.38 0.00 3.89 4.07 -1.26 -5.00 120.64 123.16 1a77 n GLU 96 Ca -0.06 -1.28 0.00 0.00 -0.06 0.00 0.00 57.16 55.76 1a77 n GLU 96 Cb 0.62 -1.10 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 1a77 n GLU 96 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1a77 n MET 97 N 0.08 0.00 -0.16 5.31 0.00 -1.26 -5.03 117.12 116.06 1a77 n MET 97 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 57.70 57.80 1a77 n MET 97 Cb 0.22 0.00 0.13 0.00 0.00 0.00 0.00 33.22 33.58 1a77 n MET 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1a77 n LYS 98 N 0.00 2.37 0.09 3.17 5.02 -1.26 -4.81 118.16 122.73 1a77 n LYS 98 Ca 0.00 -2.28 -0.08 0.00 -2.02 0.00 0.00 58.31 53.93 1a77 n LYS 98 Cb 0.00 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1a77 n LYS 98 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1a77 h GLU 99 N 0.75 -0.38 0.15 1.97 4.57 -1.96 -3.22 114.58 116.46 1a77 h GLU 99 Ca 0.00 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1a77 h GLU 99 Cb 0.93 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.57 1a77 h GLU 99 CO 0.05 -0.26 -0.31 1.57 -1.18 0.00 0.00 179.01 178.88 1a77 h LYS 100 N -0.40 -0.54 0.00 1.92 2.10 -1.96 -3.44 116.57 114.26 1a77 h LYS 100 Ca -0.01 0.04 -0.18 0.00 -2.00 0.00 0.00 60.65 58.49 1a77 h LYS 100 Cb 0.38 0.12 0.06 0.00 -0.90 0.00 0.00 32.23 31.88 1a77 h LYS 100 CO -0.09 -0.36 0.12 0.00 -2.00 0.00 0.00 179.45 177.12 1a77 n ALA 101 N -2.68 -0.35 -1.08 0.07 0.00 -1.22 -4.90 120.51 110.35 1a77 n ALA 101 Ca -0.07 -0.74 -0.26 0.00 0.00 0.00 0.00 53.44 52.37 1a77 n ALA 101 Cb 0.33 0.03 -0.12 0.00 0.00 0.00 0.00 19.45 19.68 1a77 n ALA 101 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a77 n GLU 102 N -1.99 0.00 0.00 0.00 1.02 -1.26 -4.78 120.64 113.62 1a77 n GLU 102 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1a77 n GLU 102 Cb 0.24 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1a77 n GLU 102 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1a77 n LEU 103 N 6.70 0.48 -2.37 -4.62 -0.00 -1.25 -4.94 117.00 110.99 1a77 n LEU 103 Ca 0.48 -0.57 -0.01 0.00 -0.00 0.00 0.00 56.01 55.90 1a77 n LEU 103 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.45 1a77 n LEU 103 CO 0.70 0.12 -0.40 0.29 -0.00 0.00 0.00 177.39 178.10 1a77 n LYS 104 N -0.18 -3.91 -3.41 1.47 5.02 -1.26 -5.08 118.16 110.80 1a77 n LYS 104 Ca 0.00 2.87 -0.44 0.00 -2.02 0.00 0.00 58.31 58.72 1a77 n LYS 104 Cb 0.06 -3.77 -0.06 0.00 -0.02 0.00 0.00 35.03 31.24 1a77 n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a77 s MET 105 N -0.46 2.81 -0.13 1.97 0.23 -1.26 -5.03 119.30 117.43 1a77 s MET 105 Ca -0.05 -1.78 -0.29 0.00 -1.03 0.00 0.00 55.69 52.54 1a77 s MET 105 Cb 0.00 -4.15 0.08 0.00 -1.53 0.00 0.00 34.83 29.23 1a77 s MET 105 CO 0.13 -1.27 0.74 0.15 -2.03 0.00 0.00 175.02 172.75 1a77 s LYS 106 N 1.41 0.93 -0.27 3.16 3.01 -1.26 -5.12 119.74 121.60 1a77 s LYS 106 Ca 0.05 0.44 -0.29 0.00 -1.01 0.00 0.00 55.97 55.16 1a77 s LYS 106 Cb -0.27 0.44 -0.02 0.00 -1.01 0.00 0.00 37.83 36.97 1a77 s LYS 106 CO 0.01 -0.25 1.65 -1.21 0.51 0.00 0.00 175.35 176.06 1a77 s GLU 107 N -0.74 3.65 -0.09 1.68 2.02 -1.26 -4.79 118.70 119.16 1a77 s GLU 107 Ca -0.07 1.53 0.18 0.00 0.02 0.00 0.00 54.97 56.64 1a77 s GLU 107 Cb -0.01 -4.08 0.35 0.00 0.10 0.00 0.00 34.13 30.48 1a77 s GLU 107 CO 0.06 -1.47 1.16 0.00 0.02 0.00 0.00 175.26 175.03 1a77 n ALA 108 N 8.98 2.80 0.17 5.21 0.00 -1.26 -4.92 120.51 131.49 1a77 n ALA 108 Ca 0.20 -1.90 0.10 0.00 0.00 0.00 0.00 53.44 51.84 1a77 n ALA 108 Cb 0.46 -0.68 0.56 0.00 0.00 0.00 0.00 19.45 19.78 1a77 n ALA 108 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1a77 h ILE 109 N 5.90 0.00 -2.26 0.00 2.10 -1.95 -3.30 117.51 118.00 1a77 h ILE 109 Ca -0.31 0.00 -0.52 0.00 1.08 0.00 0.00 64.86 65.10 1a77 h ILE 109 Cb 1.58 0.45 0.24 0.00 -1.09 0.00 0.00 36.82 38.00 1a77 h ILE 109 CO -0.01 0.00 -1.56 1.17 -1.08 0.00 0.00 178.15 176.67 1a77 n LYS 110 N -2.25 -0.30 -0.16 2.19 0.00 -1.26 -4.01 118.16 112.37 1a77 n LYS 110 Ca -0.01 -0.07 0.16 0.00 0.00 0.00 0.00 58.31 58.38 1a77 n LYS 110 Cb 0.13 -1.33 0.29 0.00 0.00 0.00 0.00 35.03 34.12 1a77 n LYS 110 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1a77 n LYS 111 N 0.71 -0.03 0.00 1.64 4.81 -1.26 0.38 118.16 124.41 1a77 n LYS 111 Ca 0.01 0.69 0.01 0.00 -0.87 0.00 0.00 58.31 58.16 1a77 n LYS 111 Cb 0.60 -1.25 0.06 0.00 0.02 0.00 0.00 35.03 34.47 1a77 n LYS 111 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1a77 n GLU 112 N -4.14 0.01 -0.04 1.64 0.00 -1.26 -1.10 120.64 115.75 1a77 n GLU 112 Ca 0.19 0.42 0.04 0.00 0.00 0.00 0.00 57.16 57.81 1a77 n GLU 112 Cb 0.64 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 30.42 1a77 n GLU 112 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1a77 n ASP 113 N -1.46 0.03 -0.04 -1.84 -0.08 1.21 -3.75 116.55 110.62 1a77 n ASP 113 Ca 0.01 0.01 -0.12 0.00 -1.51 0.00 0.00 54.79 53.18 1a77 n ASP 113 Cb 0.03 1.61 -0.14 0.00 2.34 0.00 0.00 41.12 44.96 1a77 n ASP 113 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1a77 n PHE 114 N -2.44 0.79 0.27 -0.67 3.72 -0.25 0.16 117.46 119.04 1a77 n PHE 114 Ca -0.13 0.25 0.16 0.00 -0.05 0.00 0.00 57.45 57.67 1a77 n PHE 114 Cb 0.76 -1.13 0.71 0.00 -0.94 0.00 0.00 39.48 38.88 1a77 n PHE 114 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1a77 h GLU 115 N 0.01 0.00 0.01 -1.08 3.07 -1.37 0.11 114.58 115.34 1a77 h GLU 115 Ca -0.38 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.16 1a77 h GLU 115 Cb 2.06 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.92 1a77 h GLU 115 CO 0.06 0.06 -1.91 -1.91 -1.40 0.00 0.00 179.01 173.91 1a77 n GLU 116 N -3.22 0.66 0.00 2.33 4.07 -1.21 -3.08 120.64 120.18 1a77 n GLU 116 Ca -0.00 0.22 0.00 0.00 -0.06 0.00 0.00 57.16 57.32 1a77 n GLU 116 Cb 0.29 -1.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 1a77 n GLU 116 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1a77 n ALA 117 N -2.67 2.37 -1.72 4.31 0.00 0.43 0.25 120.51 123.47 1a77 n ALA 117 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1a77 n ALA 117 Cb 1.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1a77 n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a77 n ALA 118 N 0.31 1.14 -3.11 0.00 0.00 -0.66 -4.91 120.51 113.28 1a77 n ALA 118 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 1a77 n ALA 118 Cb 0.34 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.72 1a77 n ALA 118 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1a77 n LYS 119 N 0.00 1.93 0.00 0.00 4.81 0.68 -4.77 118.16 120.81 1a77 n LYS 119 Ca 0.00 -4.03 0.00 0.00 -0.87 0.00 0.00 58.31 53.41 1a77 n LYS 119 Cb 0.51 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.65 1a77 n LYS 119 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1a77 n TYR 120 N 0.22 0.00 -3.25 5.64 9.36 -1.24 -4.85 117.16 123.03 1a77 n TYR 120 Ca 0.27 0.00 -0.46 0.00 3.32 0.00 0.00 57.90 61.04 1a77 n TYR 120 Cb 0.53 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.23 1a77 n TYR 120 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1a77 s ALA 121 N -1.00 4.29 0.00 2.98 0.00 -1.26 -4.24 121.76 122.52 1a77 s ALA 121 Ca 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 51.96 48.46 1a77 s ALA 121 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1a77 s ALA 121 CO 0.00 -2.37 0.00 1.17 0.00 0.00 0.00 175.76 174.56 1a77 n LYS 122 N 3.87 0.00 0.04 0.00 3.00 -1.26 -4.90 118.16 118.90 1a77 n LYS 122 Ca 0.22 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.59 1a77 n LYS 122 Cb 0.43 0.00 0.29 0.00 0.00 0.00 0.00 35.03 35.75 1a77 n LYS 122 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1a77 n ARG 123 N -1.94 0.05 0.00 1.64 3.00 -1.26 0.38 116.66 118.53 1a77 n ARG 123 Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 57.85 58.24 1a77 n ARG 123 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 30.84 1a77 n ARG 123 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1a77 n VAL 124 N -1.71 0.00 -3.77 5.15 3.14 -1.26 -4.96 118.33 114.92 1a77 n VAL 124 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1a77 n VAL 124 Cb 0.12 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.74 1a77 n VAL 124 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1a77 n SER 125 N -0.34 -3.88 0.15 6.55 3.41 0.16 -3.28 113.62 116.39 1a77 n SER 125 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1a77 n SER 125 Cb 0.07 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.50 1a77 n SER 125 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1a77 h TYR 126 N 0.00 0.00 -2.37 7.33 0.05 -1.93 -3.39 116.97 116.66 1a77 h TYR 126 Ca 0.00 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 58.13 1a77 h TYR 126 Cb 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 37.59 1a77 h TYR 126 CO 0.00 0.00 0.79 -1.17 -1.05 0.00 0.00 178.16 176.73 1a77 s LEU 127 N -4.84 4.50 0.23 3.88 0.20 -1.21 -4.95 118.68 116.50 1a77 s LEU 127 Ca 0.06 -1.44 0.03 0.00 0.69 0.00 0.00 54.13 53.47 1a77 s LEU 127 Cb 0.10 -2.43 -0.03 0.00 -0.43 0.00 0.00 46.19 43.39 1a77 s LEU 127 CO 0.49 -1.32 0.37 0.42 -0.29 0.00 0.00 176.35 176.02 1a77 s THR 128 N 3.69 5.25 0.37 3.68 -4.23 -1.26 -4.87 115.64 118.26 1a77 s THR 128 Ca 0.30 -0.80 0.11 0.00 -1.18 0.00 0.00 61.69 60.11 1a77 s THR 128 Cb -0.10 -3.83 0.33 0.00 1.34 0.00 0.00 72.50 70.25 1a77 s THR 128 CO 0.00 -0.30 1.86 -0.65 -0.54 0.00 0.00 174.62 175.00 1a77 h PRO 129 N 1.38 0.61 -0.34 3.99 0.11 -1.95 -0.23 132.00 135.56 1a77 h PRO 129 Ca -0.51 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1a77 h PRO 129 Cb 1.22 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1a77 h PRO 129 CO 0.63 0.40 0.16 -0.22 -0.21 0.00 0.00 178.00 178.76 1a77 h LYS 130 N 0.62 0.50 -0.51 1.05 1.63 -1.98 0.20 116.57 118.09 1a77 h LYS 130 Ca 0.45 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 60.16 1a77 h LYS 130 Cb 0.82 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.34 1a77 h LYS 130 CO -0.21 0.47 0.24 1.98 -3.45 0.00 0.00 179.45 178.48 1a77 h MET 131 N 0.41 0.73 -0.68 1.90 4.05 -1.60 0.15 114.93 119.90 1a77 h MET 131 Ca 0.12 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1a77 h MET 131 Cb 0.14 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1a77 h MET 131 CO -0.01 0.61 0.29 0.28 0.23 0.00 0.00 176.91 178.31 1a77 h VAL 132 N 0.68 1.23 -0.25 -5.77 2.07 -0.82 -1.03 116.25 112.35 1a77 h VAL 132 Ca 0.17 -0.69 -0.13 0.00 0.82 0.00 0.00 66.70 66.88 1a77 h VAL 132 Cb 0.13 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1a77 h VAL 132 CO -0.02 0.28 -0.37 -0.33 0.02 0.00 0.00 177.57 177.15 1a77 h GLU 133 N 0.97 0.57 -0.01 1.57 4.39 -0.06 -2.21 114.58 119.79 1a77 h GLU 133 Ca 0.23 -0.27 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 1a77 h GLU 133 Cb 0.15 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1a77 h GLU 133 CO -0.02 0.85 -0.39 -0.91 -1.16 0.00 0.00 179.01 177.38 1a77 h ASN 134 N 0.48 0.03 0.05 1.42 -0.26 -0.01 -1.31 115.58 115.97 1a77 h ASN 134 Ca 0.05 -0.01 -0.21 0.00 -0.56 0.00 0.00 56.30 55.57 1a77 h ASN 134 Cb 0.86 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.11 1a77 h ASN 134 CO 0.07 0.42 -0.77 0.00 -1.06 0.00 0.00 177.43 176.09 1a77 h LYS 136 N 0.41 0.80 -0.27 0.00 1.57 -1.06 -1.89 116.57 116.14 1a77 h LYS 136 Ca -0.05 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1a77 h LYS 136 Cb 1.38 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1a77 h LYS 136 CO 0.15 0.76 0.17 -0.92 -0.57 0.00 0.00 179.45 179.03 1a77 h TYR 137 N 0.70 0.32 -0.77 -1.35 3.20 -1.15 -1.51 116.97 116.42 1a77 h TYR 137 Ca 0.16 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.05 1a77 h TYR 137 Cb 0.30 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 1a77 h TYR 137 CO 0.02 0.20 0.51 1.25 -1.64 0.00 0.00 178.16 178.50 1a77 h LEU 138 N 0.35 0.89 -1.29 2.82 5.85 -1.18 -1.10 115.31 121.65 1a77 h LEU 138 Ca 0.10 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1a77 h LEU 138 Cb -0.03 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1a77 h LEU 138 CO -0.03 0.64 0.08 -0.07 -0.34 0.00 0.00 178.44 178.72 1a77 h LEU 139 N 1.05 0.52 -0.45 2.25 3.38 -1.01 0.81 115.31 121.85 1a77 h LEU 139 Ca 0.28 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1a77 h LEU 139 Cb -0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1a77 h LEU 139 CO -0.06 0.53 0.08 0.28 0.09 0.00 0.00 178.44 179.36 1a77 h SER 140 N 0.55 0.72 0.10 -0.43 0.02 -0.23 0.25 113.55 114.53 1a77 h SER 140 Ca 0.13 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 1a77 h SER 140 Cb 0.24 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1a77 h SER 140 CO -0.00 0.79 -0.32 -0.07 -1.14 0.00 0.00 176.83 176.09 1a77 h LEU 141 N 0.61 0.34 -0.15 5.07 3.38 -0.41 -2.40 115.31 121.75 1a77 h LEU 141 Ca 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a77 h LEU 141 Cb 0.38 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1a77 h LEU 141 CO 0.01 0.65 0.00 0.23 0.09 0.00 0.00 178.44 179.41 1a77 n MET 142 N -4.09 0.13 -0.87 1.13 2.81 0.20 0.49 117.12 116.91 1a77 n MET 142 Ca -0.01 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 1a77 n MET 142 Cb 0.43 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1a77 n MET 142 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a77 n GLY 143 N 0.84 0.56 3.70 3.03 0.00 -0.67 -4.07 105.19 108.58 1a77 n GLY 143 Ca 0.05 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1a77 n GLY 143 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a77 s ILE 144 N -2.00 5.06 0.36 -0.61 -1.09 -0.01 -0.43 121.20 122.48 1a77 s ILE 144 Ca 0.00 1.27 -0.26 0.00 -2.23 0.00 0.00 60.65 59.42 1a77 s ILE 144 Cb 0.00 -3.97 -0.09 0.00 -1.58 0.00 0.00 42.46 36.82 1a77 s ILE 144 CO 0.00 0.22 1.14 -2.16 -1.23 0.00 0.00 174.94 172.91 1a77 s PRO 145 N 1.14 4.26 0.05 2.79 0.04 -1.26 -4.33 135.00 137.69 1a77 s PRO 145 Ca 0.32 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 63.12 1a77 s PRO 145 Cb -0.16 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 1a77 s PRO 145 CO 0.14 -0.13 0.07 1.52 0.04 0.00 0.00 177.00 178.63 1a77 s TYR 146 N -1.37 0.28 0.00 0.56 -0.85 -1.26 -1.53 117.35 113.19 1a77 s TYR 146 Ca 0.53 -0.65 0.06 0.00 -0.52 0.00 0.00 57.07 56.49 1a77 s TYR 146 Cb -0.30 -0.20 -0.02 0.00 0.38 0.00 0.00 41.96 41.82 1a77 s TYR 146 CO 0.38 -0.38 -0.20 0.08 -1.52 0.00 0.00 175.55 173.92 1a77 s VAL 147 N -2.99 1.55 -0.39 -3.49 1.01 0.67 -4.84 120.40 111.91 1a77 s VAL 147 Ca -0.02 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 1a77 s VAL 147 Cb 0.01 -1.31 0.03 0.00 0.00 0.00 0.00 36.38 35.11 1a77 s VAL 147 CO -0.06 0.35 0.24 -1.61 0.00 0.00 0.00 175.10 174.02 1a77 s GLU 148 N -0.69 2.87 0.57 2.72 2.02 -1.26 -1.11 118.70 123.81 1a77 s GLU 148 Ca 0.07 -1.07 -0.19 0.00 0.02 0.00 0.00 54.97 53.81 1a77 s GLU 148 Cb -0.08 -3.83 -0.05 0.00 0.10 0.00 0.00 34.13 30.27 1a77 s GLU 148 CO 0.00 -0.73 1.12 0.00 0.02 0.00 0.00 175.26 175.68 1a77 s ALA 149 N 1.60 2.65 0.40 5.21 0.00 -0.33 -4.90 121.76 126.39 1a77 s ALA 149 Ca 0.03 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.81 1a77 s ALA 149 Cb -0.19 -3.35 0.81 0.00 0.00 0.00 0.00 23.12 20.39 1a77 s ALA 149 CO 0.08 -0.87 2.05 -1.35 0.00 0.00 0.00 175.76 175.67 1a77 h PRO 150 N 0.96 0.60 0.00 0.00 0.11 -1.88 -2.22 132.00 129.56 1a77 h PRO 150 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1a77 h PRO 150 Cb 1.26 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1a77 h PRO 150 CO 0.56 0.40 0.00 0.45 -0.21 0.00 0.00 178.00 179.20 1a77 n SER 151 N -4.46 0.00 -4.70 -2.05 2.88 -1.26 -4.24 113.62 99.78 1a77 n SER 151 Ca 0.04 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.16 1a77 n SER 151 Cb 0.06 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1a77 n SER 151 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1a77 s GLU 152 N 2.78 4.27 0.42 -1.46 0.41 -1.26 0.09 118.70 123.96 1a77 s GLU 152 Ca 0.00 2.14 0.12 0.00 -0.41 0.00 0.00 54.97 56.82 1a77 s GLU 152 Cb 0.00 -3.39 0.92 0.00 -1.78 0.00 0.00 34.13 29.88 1a77 s GLU 152 CO 0.00 -0.56 1.97 0.78 -0.49 0.00 0.00 175.26 176.96 1a77 h GLY 153 N 7.56 0.13 2.00 -1.39 0.00 -1.89 -2.29 103.07 107.19 1a77 h GLY 153 Ca -0.41 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1a77 h GLY 153 CO 0.89 0.07 -0.27 1.05 0.00 0.00 0.00 176.54 178.29 1a77 h GLU 154 N 0.12 0.00 -0.07 4.80 4.11 -1.91 0.46 114.58 122.10 1a77 h GLU 154 Ca 0.02 -0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.21 1a77 h GLU 154 Cb 0.31 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.57 1a77 h GLU 154 CO 0.02 0.27 -0.93 0.00 0.07 0.00 0.00 179.01 178.44 1a77 h ALA 155 N 1.73 0.22 -0.27 1.06 0.00 -1.81 -1.91 119.26 118.27 1a77 h ALA 155 Ca -0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1a77 h ALA 155 Cb 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1a77 h ALA 155 CO 0.03 0.69 0.10 0.37 0.00 0.00 0.00 179.25 180.44 1a77 h GLN 156 N 0.45 0.41 -0.57 0.00 5.75 -1.22 -1.17 115.11 118.77 1a77 h GLN 156 Ca -0.10 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.28 1a77 h GLN 156 Cb 1.57 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 30.03 1a77 h GLN 156 CO 0.18 0.46 0.20 0.00 -2.65 0.00 0.00 178.83 177.02 1a77 h ALA 157 N 0.93 0.75 -0.69 3.38 0.00 -0.99 -1.13 119.26 121.52 1a77 h ALA 157 Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1a77 h ALA 157 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1a77 h ALA 157 CO -0.01 0.39 0.38 0.77 0.00 0.00 0.00 179.25 180.78 1a77 h SER 158 N 0.80 0.86 -0.47 0.00 0.02 -1.20 -0.89 113.55 112.66 1a77 h SER 158 Ca 0.19 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1a77 h SER 158 Cb 0.25 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1a77 h SER 158 CO -0.01 0.70 0.30 0.22 -1.14 0.00 0.00 176.83 176.90 1a77 h TYR 159 N 0.94 0.57 -0.83 3.45 3.20 -0.85 0.17 116.97 123.61 1a77 h TYR 159 Ca 0.24 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 1a77 h TYR 159 Cb 0.03 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 1a77 h TYR 159 CO -0.01 0.35 0.47 0.52 -1.64 0.00 0.00 178.16 177.84 1a77 h MET 160 N 0.61 1.14 -0.29 1.82 2.86 -0.74 -1.05 114.93 119.29 1a77 h MET 160 Ca 0.18 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1a77 h MET 160 Cb -0.04 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 1a77 h MET 160 CO -0.06 0.83 -0.14 0.00 1.06 0.00 0.00 176.91 178.60 1a77 h ALA 161 N 1.36 0.41 -1.01 6.32 0.00 -0.48 -2.25 119.26 123.62 1a77 h ALA 161 Ca 0.29 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1a77 h ALA 161 Cb 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1a77 h ALA 161 CO -0.05 0.30 0.67 0.87 0.00 0.00 0.00 179.25 181.03 1a77 h LYS 162 N 0.36 1.33 0.00 0.00 1.57 -0.64 -1.53 116.57 117.65 1a77 h LYS 162 Ca 0.06 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1a77 h LYS 162 Cb 0.66 -0.30 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1a77 h LYS 162 CO 0.04 0.88 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.40 1a77 h LYS 163 N 1.36 0.00 0.00 3.15 3.64 -1.09 -3.46 116.57 120.17 1a77 h LYS 163 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1a77 h LYS 163 Cb -0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1a77 h LYS 163 CO -0.08 0.18 0.00 0.41 -2.27 0.00 0.00 179.45 177.69 1a77 n GLY 164 N -0.78 0.93 0.19 5.01 0.00 -0.58 -4.94 105.19 105.03 1a77 n GLY 164 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1a77 n GLY 164 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a77 h ASP 165 N 0.00 0.00 -5.01 1.61 3.32 -1.64 -3.44 116.42 111.26 1a77 h ASP 165 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1a77 h ASP 165 Cb 0.00 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.35 1a77 h ASP 165 CO 0.00 0.30 -0.70 0.68 -1.72 0.00 0.00 179.24 177.80 1a77 s VAL 166 N -3.30 0.14 0.20 -1.35 -7.23 -1.21 -4.90 120.40 102.75 1a77 s VAL 166 Ca 0.03 -1.04 0.09 0.00 -1.81 0.00 0.00 61.98 59.25 1a77 s VAL 166 Cb 0.08 -0.45 -0.10 0.00 0.56 0.00 0.00 36.38 36.48 1a77 s VAL 166 CO 0.68 -0.57 1.48 -0.25 -0.31 0.00 0.00 175.10 176.13 1a77 h TRP 167 N 4.43 0.00 -2.64 2.82 7.01 -0.65 -3.39 115.95 123.54 1a77 h TRP 167 Ca -0.32 0.00 0.12 0.00 2.11 0.00 0.00 58.89 60.80 1a77 h TRP 167 Cb 1.20 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 28.18 1a77 h TRP 167 CO 0.64 0.76 0.37 0.00 -2.79 0.00 0.00 178.44 177.42 1a77 s ALA 168 N -3.23 -1.49 -0.17 2.65 0.00 -1.25 -4.49 121.76 113.77 1a77 s ALA 168 Ca -0.00 0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.89 1a77 s ALA 168 Cb 0.11 0.73 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 1a77 s ALA 168 CO 0.78 -1.00 0.14 0.08 0.00 0.00 0.00 175.76 175.76 1a77 s VAL 169 N -3.56 5.43 -0.30 0.00 1.01 -0.58 -1.10 120.40 121.31 1a77 s VAL 169 Ca 0.11 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1a77 s VAL 169 Cb -0.03 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1a77 s VAL 169 CO 0.03 0.49 0.19 -0.69 0.00 0.00 0.00 175.10 175.11 1a77 s VAL 170 N -0.05 5.12 0.16 2.92 1.01 0.62 -0.96 120.40 129.22 1a77 s VAL 170 Ca 0.10 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.82 1a77 s VAL 170 Cb -0.11 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.83 1a77 s VAL 170 CO 0.00 0.17 0.79 -0.55 0.00 0.00 0.00 175.10 175.51 1a77 s SER 171 N 1.72 -0.34 0.06 3.32 0.15 -1.13 -0.96 113.70 116.51 1a77 s SER 171 Ca 0.06 -0.27 0.24 0.00 0.70 0.00 0.00 55.95 56.68 1a77 s SER 171 Cb -0.16 0.56 0.20 0.00 -1.71 0.00 0.00 66.02 64.90 1a77 s SER 171 CO 0.10 -0.98 1.17 0.00 1.20 0.00 0.00 173.24 174.72 1a77 n GLN 172 N -0.40 0.24 -3.64 5.44 1.13 -1.26 -3.85 117.38 115.04 1a77 n GLN 172 Ca -0.09 0.02 -0.25 0.00 -1.94 0.00 0.00 57.00 54.74 1a77 n GLN 172 Cb 0.62 -1.61 -0.02 0.00 0.11 0.00 0.00 30.24 29.34 1a77 n GLN 172 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1a77 s ASP 173 N -3.86 6.35 0.07 1.08 1.01 -1.26 -4.96 116.67 115.10 1a77 s ASP 173 Ca 0.06 0.38 0.23 0.00 0.71 0.00 0.00 52.55 53.92 1a77 s ASP 173 Cb 0.15 -2.00 0.10 0.00 1.01 0.00 0.00 42.92 42.17 1a77 s ASP 173 CO 0.76 -0.12 1.07 -1.22 0.21 0.00 0.00 175.17 175.88 1a77 n TYR 174 N -1.09 0.35 -0.47 4.23 4.01 -1.26 -4.54 117.16 118.38 1a77 n TYR 174 Ca -0.05 0.10 0.42 0.00 -0.16 0.00 0.00 57.90 58.21 1a77 n TYR 174 Cb 0.55 -0.50 0.74 0.00 -0.31 0.00 0.00 39.34 39.81 1a77 n TYR 174 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1a77 h ASP 175 N 0.00 0.00 -0.09 7.72 5.19 -1.95 -1.08 116.42 126.21 1a77 h ASP 175 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1a77 h ASP 175 Cb 0.75 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.25 1a77 h ASP 175 CO 0.00 0.00 0.06 0.00 -3.12 0.00 0.00 179.24 176.18 1a77 h ALA 176 N 1.07 1.93 -0.86 3.45 0.00 -1.88 -1.88 119.26 121.09 1a77 h ALA 176 Ca 0.72 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.69 1a77 h ALA 176 Cb 3.07 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 20.76 1a77 h ALA 176 CO -0.01 0.07 0.56 -0.07 0.00 0.00 0.00 179.25 179.80 1a77 h LEU 177 N 0.12 0.83 -2.02 0.00 3.38 -1.43 -1.39 115.31 114.79 1a77 h LEU 177 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1a77 h LEU 177 Cb -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1a77 h LEU 177 CO -0.01 0.52 -0.10 -0.07 0.09 0.00 0.00 178.44 178.88 1a77 h LEU 178 N 0.93 0.00 -1.02 1.67 3.38 -1.52 0.44 115.31 119.18 1a77 h LEU 178 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1a77 h LEU 178 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1a77 h LEU 178 CO -0.14 0.10 0.00 -1.22 0.09 0.00 0.00 178.44 177.26 1a77 n TYR 179 N -3.75 0.15 -0.37 1.13 4.01 -0.59 -4.73 117.16 113.01 1a77 n TYR 179 Ca -0.02 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1a77 n TYR 179 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1a77 n TYR 179 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a77 n GLY 180 N 1.13 0.81 3.68 2.72 0.00 0.14 -4.83 105.19 108.85 1a77 n GLY 180 Ca 0.17 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1a77 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a77 n ALA 181 N -0.90 1.93 0.21 4.61 0.00 -0.83 -4.78 120.51 120.76 1a77 n ALA 181 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 53.44 53.78 1a77 n ALA 181 Cb 0.00 -2.59 0.46 0.00 0.00 0.00 0.00 19.45 17.32 1a77 n ALA 181 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a77 h PRO 182 N 8.87 0.00 -3.04 0.00 0.13 -1.88 -3.40 132.00 132.69 1a77 h PRO 182 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1a77 h PRO 182 Cb 1.23 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.14 1a77 h PRO 182 CO 0.94 0.24 -0.33 1.03 -0.23 0.00 0.00 178.00 179.65 1a77 s ARG 183 N -4.48 0.51 -0.01 0.86 0.52 -1.26 -0.87 118.95 114.21 1a77 s ARG 183 Ca -0.04 0.10 0.04 0.00 -0.52 0.00 0.00 55.73 55.32 1a77 s ARG 183 Cb 0.15 0.23 -0.01 0.00 0.52 0.00 0.00 34.95 35.84 1a77 s ARG 183 CO 0.70 -0.11 -0.14 0.08 0.02 0.00 0.00 175.30 175.85 1a77 s VAL 184 N -0.61 1.14 -0.19 3.52 1.01 -0.60 -1.52 120.40 123.15 1a77 s VAL 184 Ca -0.07 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1a77 s VAL 184 Cb -0.04 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.43 1a77 s VAL 184 CO 0.02 0.32 -0.11 -0.69 0.00 0.00 0.00 175.10 174.65 1a77 s VAL 185 N -0.34 1.58 0.38 2.92 1.01 -0.13 -1.17 120.40 124.65 1a77 s VAL 185 Ca 0.06 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1a77 s VAL 185 Cb -0.06 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1a77 s VAL 185 CO -0.01 0.22 0.54 -0.13 0.00 0.00 0.00 175.10 175.73 1a77 s ARG 186 N 1.44 3.09 -1.25 2.72 0.52 0.13 -2.85 118.95 122.74 1a77 s ARG 186 Ca 0.00 -0.84 -0.05 0.00 -0.52 0.00 0.00 55.73 54.32 1a77 s ARG 186 Cb -0.15 -2.73 0.01 0.00 0.52 0.00 0.00 34.95 32.59 1a77 s ARG 186 CO -0.09 -0.06 0.66 0.09 0.02 0.00 0.00 175.30 175.92 1a77 n ASN 187 N -1.79 -5.48 -0.11 0.23 3.02 -1.26 -1.20 115.26 108.66 1a77 n ASN 187 Ca 0.00 -0.30 -0.15 0.00 -0.03 0.00 0.00 54.58 54.10 1a77 n ASN 187 Cb 0.58 -4.25 -0.11 0.00 -0.61 0.00 0.00 39.78 35.39 1a77 n ASN 187 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1a77 n LEU 188 N -3.67 2.57 0.10 3.41 4.77 -1.26 -4.21 117.00 118.71 1a77 n LEU 188 Ca -0.06 -0.11 0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1a77 n LEU 188 Cb 0.59 -0.64 0.38 0.00 -2.33 0.00 0.00 43.42 41.41 1a77 n LEU 188 CO 0.44 0.83 0.84 0.35 -1.33 0.00 0.00 177.39 178.53 1a77 n THR 189 N -3.11 0.59 -3.92 -5.08 -2.24 -1.26 -4.66 114.28 94.59 1a77 n THR 189 Ca -0.40 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 60.94 1a77 n THR 189 Cb 0.96 -0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 68.49 1a77 n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1a77 s THR 190 N -3.11 0.12 -0.12 4.28 2.01 -1.26 -4.84 115.64 112.72 1a77 s THR 190 Ca 0.10 0.02 0.17 0.00 0.31 0.00 0.00 61.69 62.30 1a77 s THR 190 Cb 0.12 -0.16 0.27 0.00 0.01 0.00 0.00 72.50 72.75 1a77 s THR 190 CO 0.61 0.08 1.14 0.35 -0.69 0.00 0.00 174.62 176.11 1a77 n THR 191 N 3.54 1.76 -0.18 -0.82 -2.24 -1.26 -4.18 114.28 110.90 1a77 n THR 191 Ca -0.19 -2.13 -0.02 0.00 -2.27 0.00 0.00 64.05 59.43 1a77 n THR 191 Cb 0.55 -0.18 0.04 0.00 -2.10 0.00 0.00 70.33 68.64 1a77 n THR 191 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1a77 h LYS 192 N 0.03 -0.01 -6.06 -0.78 3.11 -1.98 -3.41 116.57 107.47 1a77 h LYS 192 Ca -0.00 0.00 -0.52 0.00 -2.81 0.00 0.00 60.65 57.32 1a77 h LYS 192 Cb 1.03 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 32.21 1a77 h LYS 192 CO 0.00 -0.01 -0.44 -1.21 -2.81 0.00 0.00 179.45 174.99 1a77 s GLU 193 N -6.22 2.41 0.65 1.90 2.02 -1.26 -5.11 118.70 113.08 1a77 s GLU 193 Ca -0.14 -1.64 -0.16 0.00 0.02 0.00 0.00 54.97 53.05 1a77 s GLU 193 Cb 0.17 -2.21 -0.00 0.00 0.10 0.00 0.00 34.13 32.18 1a77 s GLU 193 CO 0.72 -0.13 1.13 -1.64 0.02 0.00 0.00 175.26 175.36 1a77 s MET 194 N -4.02 2.79 0.54 1.61 -1.94 -1.26 -4.89 119.30 112.14 1a77 s MET 194 Ca 0.44 1.48 -0.21 0.00 -1.71 0.00 0.00 55.69 55.70 1a77 s MET 194 Cb -0.01 -1.94 -0.06 0.00 2.01 0.00 0.00 34.83 34.83 1a77 s MET 194 CO 0.25 -1.27 1.12 -2.30 -0.01 0.00 0.00 175.02 172.81 1a77 n PRO 195 N -2.28 1.28 -3.99 2.03 -0.02 -1.25 -4.71 135.00 126.07 1a77 n PRO 195 Ca 0.11 0.48 -0.25 0.00 -2.02 0.00 0.00 63.50 61.82 1a77 n PRO 195 Cb 0.52 -2.29 -0.17 0.00 -0.02 0.00 0.00 33.50 31.54 1a77 n PRO 195 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1a77 s GLU 196 N -2.64 1.27 -0.17 -0.52 2.12 -0.34 -1.78 118.70 116.63 1a77 s GLU 196 Ca 0.72 -0.18 -0.06 0.00 0.36 0.00 0.00 54.97 55.81 1a77 s GLU 196 Cb -0.45 -1.35 -0.04 0.00 0.26 0.00 0.00 34.13 32.56 1a77 s GLU 196 CO 0.50 -0.22 0.03 -1.17 -0.54 0.00 0.00 175.26 173.86 1a77 s LEU 197 N 1.55 3.65 -0.16 2.70 2.96 0.31 0.21 118.68 129.89 1a77 s LEU 197 Ca 0.01 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1a77 s LEU 197 Cb -0.13 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.66 1a77 s LEU 197 CO -0.05 0.18 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.34 1a77 s ILE 198 N 0.31 2.25 -0.22 6.68 1.09 -0.32 -1.39 121.20 129.60 1a77 s ILE 198 Ca 0.01 -0.90 -0.08 0.00 -1.10 0.00 0.00 60.65 58.59 1a77 s ILE 198 Cb -0.13 -1.93 -0.04 0.00 -1.06 0.00 0.00 42.46 39.30 1a77 s ILE 198 CO 0.01 0.53 0.08 -0.70 -0.10 0.00 0.00 174.94 174.76 1a77 s GLU 199 N 1.05 3.86 0.19 2.79 2.12 -1.26 -1.56 118.70 125.89 1a77 s GLU 199 Ca -0.01 -0.39 -0.11 0.00 0.36 0.00 0.00 54.97 54.82 1a77 s GLU 199 Cb -0.14 -3.32 0.21 0.00 0.26 0.00 0.00 34.13 31.14 1a77 s GLU 199 CO -0.06 0.05 1.76 1.25 -0.54 0.00 0.00 175.26 177.72 1a77 h LEU 200 N 7.46 0.26 -1.23 2.70 5.85 -1.21 -2.20 115.31 126.93 1a77 h LEU 200 Ca -0.37 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1a77 h LEU 200 Cb 1.17 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1a77 h LEU 200 CO 0.64 0.17 0.33 -1.13 -0.34 0.00 0.00 178.44 178.11 1a77 h ASN 201 N 0.42 0.77 -0.25 1.25 -1.24 -1.92 -1.28 115.58 113.33 1a77 h ASN 201 Ca 0.27 -0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.19 1a77 h ASN 201 Cb 0.28 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1a77 h ASN 201 CO -0.25 0.63 0.05 -0.08 -1.29 0.00 0.00 177.43 176.49 1a77 h GLU 202 N 0.87 0.41 -0.27 6.67 4.81 -1.80 -0.45 114.58 124.82 1a77 h GLU 202 Ca 0.22 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1a77 h GLU 202 Cb 0.04 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1a77 h GLU 202 CO -0.03 0.53 0.02 0.28 -0.73 0.00 0.00 179.01 179.07 1a77 h VAL 203 N 0.23 0.83 -0.26 0.32 2.07 -0.92 0.14 116.25 118.65 1a77 h VAL 203 Ca 0.08 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1a77 h VAL 203 Cb 0.31 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1a77 h VAL 203 CO 0.00 0.02 0.00 -0.07 0.02 0.00 0.00 177.57 177.55 1a77 h LEU 204 N 0.11 0.45 -0.28 2.57 3.38 -1.19 -0.56 115.31 119.79 1a77 h LEU 204 Ca 0.13 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1a77 h LEU 204 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1a77 h LEU 204 CO -0.20 0.65 0.09 -0.33 0.09 0.00 0.00 178.44 178.74 1a77 h GLU 205 N 0.25 0.43 -0.29 1.13 4.39 -0.88 0.33 114.58 119.94 1a77 h GLU 205 Ca 0.08 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1a77 h GLU 205 Cb 0.41 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1a77 h GLU 205 CO 0.01 0.48 0.14 -0.44 -1.16 0.00 0.00 179.01 178.05 1a77 h ASP 206 N 0.29 0.37 1.59 1.42 5.19 -0.69 -2.76 116.42 121.84 1a77 h ASP 206 Ca 0.09 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1a77 h ASP 206 Cb 0.23 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1a77 h ASP 206 CO -0.00 0.38 -0.01 -0.07 -3.12 0.00 0.00 179.24 176.42 1a77 h LEU 207 N 0.34 0.00 -1.47 1.55 3.38 -1.05 -3.48 115.31 114.58 1a77 h LEU 207 Ca 0.10 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.85 1a77 h LEU 207 Cb 0.11 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.95 1a77 h LEU 207 CO -0.01 0.00 -0.45 0.54 0.09 0.00 0.00 178.44 178.61 1a77 n ARG 208 N -2.46 -4.38 -4.18 1.13 5.12 0.11 -5.04 116.66 106.96 1a77 n ARG 208 Ca 0.05 0.52 -0.11 0.00 -1.93 0.00 0.00 57.85 56.38 1a77 n ARG 208 Cb 0.45 -4.57 -0.10 0.00 -1.16 0.00 0.00 32.46 27.08 1a77 n ARG 208 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1a77 s ILE 209 N -3.21 0.26 0.43 0.55 -4.36 -0.74 -5.04 121.20 109.09 1a77 s ILE 209 Ca 0.13 -1.93 0.06 0.00 -0.26 0.00 0.00 60.65 58.65 1a77 s ILE 209 Cb -0.06 -2.09 0.01 0.00 1.25 0.00 0.00 42.46 41.57 1a77 s ILE 209 CO 0.45 -0.44 0.60 -0.94 0.24 0.00 0.00 174.94 174.85 1a77 s SER 210 N -3.09 5.64 0.23 4.36 1.04 -1.26 -4.55 113.70 116.06 1a77 s SER 210 Ca 0.25 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.33 1a77 s SER 210 Cb 0.07 -0.83 0.23 0.00 0.10 0.00 0.00 66.02 65.59 1a77 s SER 210 CO 0.03 -0.79 1.89 0.25 0.98 0.00 0.00 173.24 175.61 1a77 h LEU 211 N 0.55 0.96 -1.21 2.42 6.46 -1.98 -1.00 115.31 121.51 1a77 h LEU 211 Ca -0.42 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 1a77 h LEU 211 Cb 1.28 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.95 1a77 h LEU 211 CO 0.48 0.68 0.38 0.44 -0.62 0.00 0.00 178.44 179.80 1a77 h ASP 212 N 1.13 0.82 -0.15 1.25 3.32 -1.96 -0.99 116.42 119.84 1a77 h ASP 212 Ca 0.33 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1a77 h ASP 212 Cb -0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1a77 h ASP 212 CO -0.09 0.65 0.06 0.44 -1.72 0.00 0.00 179.24 178.58 1a77 h ASP 213 N 0.93 0.20 -1.00 6.45 3.32 -1.61 -1.70 116.42 123.01 1a77 h ASP 213 Ca 0.24 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.19 1a77 h ASP 213 Cb 0.00 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.44 1a77 h ASP 213 CO -0.04 0.30 0.64 0.25 -1.72 0.00 0.00 179.24 178.67 1a77 h LEU 214 N 0.09 1.04 -0.94 1.55 5.85 -0.69 0.09 115.31 122.29 1a77 h LEU 214 Ca 0.05 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 1a77 h LEU 214 Cb 0.16 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1a77 h LEU 214 CO -0.00 0.67 -0.07 0.40 -0.34 0.00 0.00 178.44 179.10 1a77 h ILE 215 N 1.18 1.24 -0.27 4.05 2.04 -0.96 -1.08 117.51 123.72 1a77 h ILE 215 Ca 0.42 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1a77 h ILE 215 Cb 0.14 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1a77 h ILE 215 CO -0.16 0.36 0.08 0.44 0.00 0.00 0.00 178.15 178.87 1a77 h ASP 216 N 0.64 0.39 -0.49 1.72 3.32 -0.16 -0.71 116.42 121.14 1a77 h ASP 216 Ca 0.12 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.00 1a77 h ASP 216 Cb 0.50 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1a77 h ASP 216 CO 0.03 0.49 0.26 0.40 -1.72 0.00 0.00 179.24 178.70 1a77 h ILE 217 N 0.26 0.98 -0.97 0.35 2.04 -0.68 -1.03 117.51 118.46 1a77 h ILE 217 Ca 0.09 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.79 1a77 h ILE 217 Cb 0.24 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1a77 h ILE 217 CO -0.00 0.09 0.64 0.00 0.00 0.00 0.00 178.15 178.88 1a77 h ALA 218 N 1.25 1.25 -0.62 1.87 0.00 -0.92 -1.24 119.26 120.85 1a77 h ALA 218 Ca 0.21 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1a77 h ALA 218 Cb 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1a77 h ALA 218 CO -0.13 0.60 0.06 0.82 0.00 0.00 0.00 179.25 180.60 1a77 h ILE 219 N 1.30 1.26 -0.21 0.00 2.04 -0.40 0.53 117.51 122.02 1a77 h ILE 219 Ca 0.37 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 65.18 1a77 h ILE 219 Cb -0.11 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1a77 h ILE 219 CO -0.09 0.39 0.08 -0.26 0.00 0.00 0.00 178.15 178.27 1a77 h PHE 220 N 0.95 0.15 -0.41 1.37 0.04 -0.60 -2.63 116.94 115.81 1a77 h PHE 220 Ca 0.18 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.87 1a77 h PHE 220 Cb 0.48 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 1a77 h PHE 220 CO 0.04 0.07 -0.13 0.52 -0.60 0.00 0.00 178.31 178.21 1a77 h MET 221 N 0.19 0.73 0.00 1.51 2.86 -0.96 0.33 114.93 119.59 1a77 h MET 221 Ca 0.09 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1a77 h MET 221 Cb 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1a77 h MET 221 CO -0.09 0.83 0.00 0.41 1.06 0.00 0.00 176.91 179.12 1a77 n GLY 222 N -0.44 3.27 3.93 8.32 0.00 0.18 -3.58 105.19 116.87 1a77 n GLY 222 Ca 0.01 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 1a77 n GLY 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a77 s THR 223 N 0.00 1.71 0.44 2.61 -4.23 -1.20 -4.70 115.64 110.28 1a77 s THR 223 Ca 0.00 -1.41 0.38 0.00 -1.18 0.00 0.00 61.69 59.48 1a77 s THR 223 Cb 0.00 -2.12 0.40 0.00 1.34 0.00 0.00 72.50 72.12 1a77 s THR 223 CO 0.00 0.00 2.20 0.44 -0.54 0.00 0.00 174.62 176.72 1a77 h ASP 224 N 0.64 0.00 0.46 3.99 3.32 -1.99 -0.49 116.42 122.35 1a77 h ASP 224 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1a77 h ASP 224 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1a77 h ASP 224 CO 0.54 0.02 -0.45 -1.22 -1.72 0.00 0.00 179.24 176.41 1a77 n TYR 225 N -3.21 0.00 -2.80 4.55 4.01 -1.26 -4.40 117.16 114.05 1a77 n TYR 225 Ca -0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 1a77 n TYR 225 Cb 0.17 -0.23 0.05 0.00 -0.31 0.00 0.00 39.34 39.03 1a77 n TYR 225 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1a77 n ASN 226 N -1.35 -2.21 -4.64 7.72 0.23 -0.52 -5.06 115.26 109.42 1a77 n ASN 226 Ca 0.07 -3.41 -0.45 0.00 -0.53 0.00 0.00 54.58 50.25 1a77 n ASN 226 Cb 0.34 1.54 -0.02 0.00 -2.08 0.00 0.00 39.78 39.56 1a77 n ASN 226 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1a77 n PRO 227 N 1.01 1.78 0.00 -0.53 -0.04 -0.31 -1.35 135.00 135.56 1a77 n PRO 227 Ca 0.10 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1a77 n PRO 227 Cb 0.65 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 1a77 n PRO 227 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a77 n GLY 228 N 1.75 3.27 7.00 0.55 0.00 -1.26 -4.94 105.19 111.56 1a77 n GLY 228 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1a77 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a77 n GLY 229 N -1.70 1.80 3.53 -0.02 0.00 -0.45 -4.56 105.19 103.79 1a77 n GLY 229 Ca 0.00 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 1a77 n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a77 s VAL 230 N 0.00 5.16 -0.05 1.61 1.01 0.12 -4.89 120.40 123.35 1a77 s VAL 230 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1a77 s VAL 230 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1a77 s VAL 230 CO 0.00 0.08 0.18 0.29 0.00 0.00 0.00 175.10 175.65 1a77 n LYS 231 N 5.07 0.00 -3.70 2.72 4.76 -1.26 -1.96 118.16 123.79 1a77 n LYS 231 Ca -0.13 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.04 1a77 n LYS 231 Cb 0.50 -0.16 0.05 0.00 -1.84 0.00 0.00 35.03 33.59 1a77 n LYS 231 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a77 n GLY 232 N 0.48 -0.53 2.82 0.72 0.00 -1.26 -5.01 105.19 102.42 1a77 n GLY 232 Ca 0.04 0.22 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 1a77 n GLY 232 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a77 s ILE 233 N -3.29 0.79 0.00 -0.61 1.01 -0.83 -5.07 121.20 113.20 1a77 s ILE 233 Ca 0.60 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1a77 s ILE 233 Cb -0.28 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1a77 s ILE 233 CO 0.75 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.35 1a77 n GLY 234 N 4.98 1.46 0.13 6.18 0.00 -1.26 -4.14 105.19 112.54 1a77 n GLY 234 Ca -0.10 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 1a77 n GLY 234 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1a77 h PHE 235 N -0.12 -0.22 -0.27 1.61 3.04 -1.94 -1.85 116.94 117.19 1a77 h PHE 235 Ca 0.00 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.99 1a77 h PHE 235 Cb 0.00 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 1a77 h PHE 235 CO 0.00 -0.14 0.07 0.87 -2.02 0.00 0.00 178.31 177.09 1a77 h LYS 236 N -0.17 0.17 -0.57 1.11 1.57 -1.98 0.20 116.57 116.90 1a77 h LYS 236 Ca 0.02 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1a77 h LYS 236 Cb 0.19 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1a77 h LYS 236 CO -0.06 0.11 -0.01 -0.09 -0.57 0.00 0.00 179.45 178.84 1a77 h ARG 237 N 0.18 1.02 -0.22 3.15 9.65 -1.94 -0.28 114.38 125.94 1a77 h ARG 237 Ca 0.12 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.66 1a77 h ARG 237 Cb 0.12 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1a77 h ARG 237 CO -0.15 1.02 0.09 0.00 2.80 0.00 0.00 179.97 183.73 1a77 h ALA 238 N 0.97 0.29 -0.68 2.80 0.00 -1.05 -0.73 119.26 120.86 1a77 h ALA 238 Ca 0.16 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1a77 h ALA 238 Cb 0.56 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1a77 h ALA 238 CO 0.03 -0.12 0.45 -0.92 0.00 0.00 0.00 179.25 178.69 1a77 h TYR 239 N 0.21 0.85 -0.04 0.00 3.20 -0.47 0.95 116.97 121.69 1a77 h TYR 239 Ca 0.08 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1a77 h TYR 239 Cb 0.17 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 1a77 h TYR 239 CO -0.01 0.54 0.02 1.49 -1.64 0.00 0.00 178.16 178.55 1a77 h GLU 240 N 0.92 0.05 -0.46 1.82 4.81 -0.56 -0.58 114.58 120.58 1a77 h GLU 240 Ca 0.25 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1a77 h GLU 240 Cb -0.10 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1a77 h GLU 240 CO -0.06 0.14 0.13 -0.07 -0.73 0.00 0.00 179.01 178.43 1a77 h LEU 241 N -0.05 0.62 -0.07 1.64 3.38 -0.19 -1.77 115.31 118.88 1a77 h LEU 241 Ca 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1a77 h LEU 241 Cb 0.10 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1a77 h LEU 241 CO -0.00 0.61 -0.01 0.58 0.09 0.00 0.00 178.44 179.70 1a77 h VAL 242 N 0.67 1.28 0.00 1.22 2.07 -0.52 -2.57 116.25 118.39 1a77 h VAL 242 Ca 0.15 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1a77 h VAL 242 Cb 0.22 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1a77 h VAL 242 CO -0.01 0.24 -0.07 0.03 0.02 0.00 0.00 177.57 177.79 1a77 h ARG 243 N -0.18 0.00 0.00 1.57 2.47 -0.88 -0.28 114.38 117.08 1a77 h ARG 243 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1a77 h ARG 243 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 1a77 h ARG 243 CO 0.01 0.07 -0.03 0.43 0.56 0.00 0.00 179.97 181.00 1a77 n SER 244 N -4.10 0.30 -0.39 7.04 7.64 -0.68 -4.92 113.62 118.50 1a77 n SER 244 Ca -0.03 0.49 -0.04 0.00 1.01 0.00 0.00 58.87 60.30 1a77 n SER 244 Cb 0.15 -0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 62.78 1a77 n SER 244 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a77 n GLY 245 N 1.43 0.47 0.09 0.23 0.00 -0.12 -4.92 105.19 102.37 1a77 n GLY 245 Ca 0.06 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.29 1a77 n GLY 245 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1a77 n VAL 246 N -3.40 0.68 -0.00 1.61 0.24 -0.99 -4.79 118.33 111.67 1a77 n VAL 246 Ca -0.04 -0.84 -0.12 0.00 -2.04 0.00 0.00 64.34 61.29 1a77 n VAL 246 Cb 0.32 0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 33.29 1a77 n VAL 246 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a77 h ALA 247 N 0.33 0.07 -0.52 2.33 0.00 -1.80 -2.75 119.26 116.92 1a77 h ALA 247 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1a77 h ALA 247 Cb 0.39 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1a77 h ALA 247 CO 0.00 -0.31 0.34 0.87 0.00 0.00 0.00 179.25 180.15 1a77 h LYS 248 N -0.13 0.58 -0.14 0.00 1.57 -1.91 0.17 116.57 116.71 1a77 h LYS 248 Ca 0.02 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1a77 h LYS 248 Cb 0.23 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1a77 h LYS 248 CO 0.00 0.38 -0.27 -0.44 -0.57 0.00 0.00 179.45 178.56 1a77 h ASP 249 N 0.60 0.48 -0.22 0.86 3.32 -1.90 -1.92 116.42 117.64 1a77 h ASP 249 Ca 0.21 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1a77 h ASP 249 Cb 0.08 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1a77 h ASP 249 CO -0.05 0.94 0.14 0.58 -1.72 0.00 0.00 179.24 179.13 1a77 h VAL 250 N 0.04 1.07 -0.50 -1.35 2.07 -1.11 -2.60 116.25 113.86 1a77 h VAL 250 Ca 0.01 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1a77 h VAL 250 Cb 0.86 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1a77 h VAL 250 CO 0.06 0.07 0.12 -0.07 0.02 0.00 0.00 177.57 177.77 1a77 h LEU 251 N 0.29 0.71 -1.22 2.57 4.07 -0.70 0.17 115.31 121.20 1a77 h LEU 251 Ca 0.08 -0.12 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 1a77 h LEU 251 Cb -0.02 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 1a77 h LEU 251 CO -0.02 0.70 -0.11 0.50 -1.08 0.00 0.00 178.44 178.43 1a77 h LYS 252 N 0.74 0.40 0.06 1.13 3.64 -1.07 -0.10 116.57 121.37 1a77 h LYS 252 Ca 0.17 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1a77 h LYS 252 Cb 0.27 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1a77 h LYS 252 CO -0.00 0.52 -0.47 -0.22 -2.27 0.00 0.00 179.45 177.01 1a77 h LYS 253 N 0.38 0.22 0.00 1.90 3.64 -1.03 -3.39 116.57 118.29 1a77 h LYS 253 Ca 0.07 -0.31 -0.17 0.00 -1.27 0.00 0.00 60.65 58.97 1a77 h LYS 253 Cb 0.43 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1a77 h LYS 253 CO 0.02 1.09 -0.93 0.93 -2.27 0.00 0.00 179.45 178.30 1a77 h GLU 254 N -0.50 0.00 -4.84 1.90 4.39 -0.62 -3.45 114.58 111.46 1a77 h GLU 254 Ca -0.08 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 58.95 1a77 h GLU 254 Cb 1.31 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 29.62 1a77 h GLU 254 CO 0.09 0.69 -0.74 0.08 -1.16 0.00 0.00 179.01 177.96 1a77 s VAL 255 N -2.82 2.71 0.39 3.13 1.01 -0.06 -5.00 120.40 119.76 1a77 s VAL 255 Ca 0.01 -1.35 -0.26 0.00 0.00 0.00 0.00 61.98 60.39 1a77 s VAL 255 Cb 0.09 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.87 1a77 s VAL 255 CO 0.79 0.01 1.16 -0.70 0.00 0.00 0.00 175.10 176.37 1a77 s GLU 256 N 1.23 4.12 -1.17 2.72 2.12 -1.26 -2.45 118.70 124.00 1a77 s GLU 256 Ca -0.05 1.84 0.00 0.00 0.36 0.00 0.00 54.97 57.12 1a77 s GLU 256 Cb -0.19 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.47 1a77 s GLU 256 CO -0.03 -0.26 0.00 0.66 -0.54 0.00 0.00 175.26 175.09 1a77 n TYR 257 N 0.19 -0.14 -0.10 5.30 4.01 -1.26 -4.92 117.16 120.24 1a77 n TYR 257 Ca 0.04 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.72 1a77 n TYR 257 Cb 0.46 -2.29 0.00 0.00 -0.31 0.00 0.00 39.34 37.21 1a77 n TYR 257 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1a77 h TYR 258 N 0.00 -0.52 -0.26 -0.72 3.20 -1.80 0.25 116.97 117.13 1a77 h TYR 258 Ca -0.25 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.64 1a77 h TYR 258 Cb 0.87 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 1a77 h TYR 258 CO 0.32 -0.28 0.03 -0.44 -1.64 0.00 0.00 178.16 176.15 1a77 h ASP 259 N -0.14 0.34 -0.33 -2.11 3.32 -1.91 -1.13 116.42 114.46 1a77 h ASP 259 Ca 0.18 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 1a77 h ASP 259 Cb 0.43 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1a77 h ASP 259 CO -0.46 0.38 -0.48 -0.33 -1.72 0.00 0.00 179.24 176.63 1a77 h GLU 260 N 0.37 0.91 -0.46 3.56 3.07 -1.48 -2.20 114.58 118.35 1a77 h GLU 260 Ca 0.09 -0.54 -0.12 0.00 -0.50 0.00 0.00 59.36 58.28 1a77 h GLU 260 Cb 0.20 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1a77 h GLU 260 CO 0.00 1.18 -0.21 0.82 -1.40 0.00 0.00 179.01 179.41 1a77 h ILE 261 N 0.71 1.27 -0.71 3.13 2.04 -0.07 -2.73 117.51 121.15 1a77 h ILE 261 Ca 0.03 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.52 1a77 h ILE 261 Cb 1.09 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1a77 h ILE 261 CO 0.11 0.46 0.38 0.11 0.00 0.00 0.00 178.15 179.21 1a77 h LYS 262 N 0.80 1.01 -0.06 2.37 1.57 -1.16 -2.71 116.57 118.38 1a77 h LYS 262 Ca 0.11 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1a77 h LYS 262 Cb 0.76 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1a77 h LYS 262 CO 0.06 0.76 -0.20 -0.09 -0.57 0.00 0.00 179.45 179.41 1a77 h ARG 263 N 0.99 0.09 -0.49 3.15 9.65 -1.24 -1.32 114.38 125.21 1a77 h ARG 263 Ca 0.25 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.12 1a77 h ARG 263 Cb 0.06 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 1a77 h ARG 263 CO -0.04 0.30 0.31 0.82 2.80 0.00 0.00 179.97 184.16 1a77 h ILE 264 N 0.09 1.08 0.08 1.20 2.04 -1.17 0.25 117.51 121.08 1a77 h ILE 264 Ca 0.02 -0.21 -0.26 0.00 1.00 0.00 0.00 64.86 65.41 1a77 h ILE 264 Cb 0.41 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1a77 h ILE 264 CO 0.03 0.11 -1.13 -0.26 0.00 0.00 0.00 178.15 176.90 1a77 h PHE 265 N 0.62 0.58 0.22 1.37 0.04 -1.48 -3.24 116.94 115.03 1a77 h PHE 265 Ca 0.19 -0.37 -0.32 0.00 2.80 0.00 0.00 57.97 60.26 1a77 h PHE 265 Cb -0.02 -0.04 0.03 0.00 2.20 0.00 0.00 35.95 38.13 1a77 h PHE 265 CO -0.06 1.24 -1.41 0.87 -0.60 0.00 0.00 178.31 178.36 1a77 h LYS 266 N 0.14 0.54 -2.18 1.51 1.79 -1.10 -3.41 116.57 113.87 1a77 h LYS 266 Ca -0.12 -0.87 -0.55 0.00 -2.18 0.00 0.00 60.65 56.92 1a77 h LYS 266 Cb 1.82 0.32 -0.41 0.00 -1.58 0.00 0.00 32.23 32.37 1a77 h LYS 266 CO 0.19 1.41 -0.83 0.39 -1.08 0.00 0.00 179.45 179.53 1a77 n GLU 267 N -3.72 2.40 -1.58 3.15 1.02 0.88 -5.07 120.64 117.73 1a77 n GLU 267 Ca -0.15 -4.33 -0.30 0.00 -0.02 0.00 0.00 57.16 52.35 1a77 n GLU 267 Cb 1.07 -2.04 0.07 0.00 -0.02 0.00 0.00 31.44 30.53 1a77 n GLU 267 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1a77 s PRO 268 N -3.03 2.41 -0.06 3.49 0.04 -1.22 -3.26 135.00 133.37 1a77 s PRO 268 Ca 0.45 0.73 -0.27 0.00 0.04 0.00 0.00 61.00 61.95 1a77 s PRO 268 Cb 0.29 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.86 1a77 s PRO 268 CO -0.11 -1.41 0.88 0.21 0.04 0.00 0.00 177.00 176.60 1a77 s LYS 269 N -5.13 4.47 0.29 4.56 2.20 -1.26 -4.68 119.74 120.19 1a77 s LYS 269 Ca 0.60 1.19 0.03 0.00 -0.36 0.00 0.00 55.97 57.43 1a77 s LYS 269 Cb -0.14 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.64 1a77 s LYS 269 CO 0.54 -0.09 0.07 0.54 -0.36 0.00 0.00 175.35 176.06 1a77 s VAL 270 N 1.23 0.87 0.06 4.02 0.11 -1.26 -4.47 120.40 120.96 1a77 s VAL 270 Ca 0.45 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.51 1a77 s VAL 270 Cb -0.19 -2.70 -0.03 0.00 -1.53 0.00 0.00 36.38 31.93 1a77 s VAL 270 CO 0.22 -0.02 -0.06 0.28 -3.33 0.00 0.00 175.10 172.19 1a77 s THR 271 N -3.53 0.47 -1.21 5.04 -1.32 -1.26 -4.91 115.64 108.92 1a77 s THR 271 Ca 0.37 -1.44 0.10 0.00 -1.21 0.00 0.00 61.69 59.51 1a77 s THR 271 Cb 0.08 -1.04 0.06 0.00 -1.51 0.00 0.00 72.50 70.09 1a77 s THR 271 CO 0.14 -0.66 0.78 0.47 -2.21 0.00 0.00 174.62 173.15 1a77 n ASP 272 N 0.79 1.72 -4.51 8.08 8.00 -1.26 -4.90 116.55 124.47 1a77 n ASP 272 Ca -0.18 -1.36 -0.42 0.00 0.71 0.00 0.00 54.79 53.54 1a77 n ASP 272 Cb 0.58 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.75 1a77 n ASP 272 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1a77 s ASN 273 N -0.98 6.49 -0.07 -2.24 3.84 -1.26 -4.89 114.94 115.83 1a77 s ASN 273 Ca 0.11 -1.54 -0.31 0.00 0.21 0.00 0.00 52.86 51.33 1a77 s ASN 273 Cb 0.09 -2.49 0.12 0.00 -0.55 0.00 0.00 41.25 38.41 1a77 s ASN 273 CO 0.16 -1.37 1.06 -0.72 -2.79 0.00 0.00 177.10 173.44 1a77 s TYR 274 N 4.13 -0.21 0.03 0.43 -0.85 -1.26 -4.89 117.35 114.73 1a77 s TYR 274 Ca 0.38 0.10 0.05 0.00 -0.52 0.00 0.00 57.07 57.08 1a77 s TYR 274 Cb -0.04 0.54 -0.02 0.00 0.38 0.00 0.00 41.96 42.82 1a77 s TYR 274 CO -0.06 -0.41 -0.14 0.45 -1.52 0.00 0.00 175.55 173.87 1a77 s SER 275 N -2.44 1.66 0.00 -0.18 0.15 -1.26 -5.01 113.70 106.62 1a77 s SER 275 Ca 0.08 -0.41 0.24 0.00 0.70 0.00 0.00 55.95 56.56 1a77 s SER 275 Cb -0.01 -0.12 0.34 0.00 -1.71 0.00 0.00 66.02 64.52 1a77 s SER 275 CO -0.06 0.06 1.34 0.18 1.20 0.00 0.00 173.24 175.97 1a77 n LEU 276 N 2.07 2.84 -4.77 3.45 4.32 -1.26 -4.64 117.00 119.01 1a77 n LEU 276 Ca -0.17 -0.99 -0.41 0.00 -0.02 0.00 0.00 56.01 54.43 1a77 n LEU 276 Cb 0.55 -0.03 -0.02 0.00 -1.62 0.00 0.00 43.42 42.30 1a77 n LEU 276 CO 0.23 0.49 0.99 -0.44 -1.22 0.00 0.00 177.39 177.45 1a77 s SER 277 N -1.93 6.74 0.21 -1.43 0.01 -1.26 -4.87 113.70 111.17 1a77 s SER 277 Ca 0.31 2.71 -0.01 0.00 1.31 0.00 0.00 55.95 60.27 1a77 s SER 277 Cb 0.20 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1a77 s SER 277 CO 0.31 -0.56 0.41 -0.76 0.41 0.00 0.00 173.24 173.04 1a77 s LEU 278 N -1.77 4.20 0.08 2.44 1.43 -1.26 -4.30 118.68 119.51 1a77 s LEU 278 Ca 0.49 0.45 0.07 0.00 -1.03 0.00 0.00 54.13 54.12 1a77 s LEU 278 Cb -0.40 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 1a77 s LEU 278 CO 0.53 -0.06 -0.19 -0.54 0.23 0.00 0.00 176.35 176.32 1a77 s LYS 279 N -3.32 1.08 0.34 1.70 1.02 0.42 -5.04 119.74 115.94 1a77 s LYS 279 Ca 0.39 -1.06 -0.29 0.00 0.02 0.00 0.00 55.97 55.04 1a77 s LYS 279 Cb -0.11 -1.26 -0.11 0.00 -0.52 0.00 0.00 37.83 35.83 1a77 s LYS 279 CO 0.29 0.30 1.54 1.28 -0.92 0.00 0.00 175.35 177.83 1a77 n LEU 280 N 1.29 4.57 -4.77 3.17 4.77 -1.26 -4.05 117.00 120.72 1a77 n LEU 280 Ca -0.19 1.19 -0.38 0.00 -0.03 0.00 0.00 56.01 56.59 1a77 n LEU 280 Cb 0.54 -1.61 -0.04 0.00 -2.33 0.00 0.00 43.42 39.98 1a77 n LEU 280 CO 0.22 0.15 0.77 -2.16 -1.33 0.00 0.00 177.39 175.04 1a77 s PRO 281 N -1.36 4.38 -1.02 3.23 0.04 -1.26 -4.54 135.00 134.47 1a77 s PRO 281 Ca 0.58 1.67 -0.21 0.00 0.04 0.00 0.00 61.00 63.09 1a77 s PRO 281 Cb -0.49 -2.85 0.09 0.00 0.04 0.00 0.00 34.50 31.29 1a77 s PRO 281 CO 0.57 0.01 1.35 0.34 0.04 0.00 0.00 177.00 179.31 1a77 s ASP 282 N -1.22 6.60 0.19 6.66 2.15 0.18 -4.87 116.67 126.37 1a77 s ASP 282 Ca 0.52 -1.83 -0.13 0.00 0.43 0.00 0.00 52.55 51.53 1a77 s ASP 282 Cb -0.27 -2.50 0.19 0.00 -0.30 0.00 0.00 42.92 40.04 1a77 s ASP 282 CO 0.35 -1.28 1.70 0.11 -0.17 0.00 0.00 175.17 175.87 1a77 h LYS 283 N 9.13 0.16 -0.66 4.34 1.57 -1.93 -1.43 116.57 127.75 1a77 h LYS 283 Ca 0.21 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1a77 h LYS 283 Cb 1.00 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1a77 h LYS 283 CO 1.30 0.10 0.29 0.93 -0.57 0.00 0.00 179.45 181.51 1a77 h GLU 284 N 0.16 0.97 -0.15 3.15 3.07 -1.98 -1.83 114.58 117.98 1a77 h GLU 284 Ca 0.25 -0.16 -0.12 0.00 -0.50 0.00 0.00 59.36 58.83 1a77 h GLU 284 Cb 0.37 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1a77 h GLU 284 CO -0.38 0.79 -0.44 0.78 -1.40 0.00 0.00 179.01 178.36 1a77 h GLY 285 N 0.93 0.38 0.85 -3.84 0.00 -1.88 -1.90 103.07 97.61 1a77 h GLY 285 Ca 0.22 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1a77 h GLY 285 CO -0.02 0.35 -0.02 -2.22 0.00 0.00 0.00 176.54 174.62 1a77 h ILE 286 N 0.29 1.27 -0.75 2.60 2.04 -1.02 -1.52 117.51 120.42 1a77 h ILE 286 Ca 0.02 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 1a77 h ILE 286 Cb 0.90 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 1a77 h ILE 286 CO 0.07 0.30 0.29 0.40 0.00 0.00 0.00 178.15 179.22 1a77 h ILE 287 N 0.22 1.25 0.18 -0.67 2.04 -1.29 0.20 117.51 119.44 1a77 h ILE 287 Ca 0.07 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1a77 h ILE 287 Cb 0.46 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1a77 h ILE 287 CO 0.02 0.33 -0.08 0.50 0.00 0.00 0.00 178.15 178.91 1a77 h LYS 288 N 1.10 -0.23 0.30 2.37 3.64 -1.22 0.11 116.57 122.64 1a77 h LYS 288 Ca 0.25 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1a77 h LYS 288 Cb 0.22 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1a77 h LYS 288 CO -0.02 -0.04 -0.14 0.35 -2.27 0.00 0.00 179.45 177.32 1a77 h PHE 289 N -0.37 -0.38 0.34 1.91 3.57 -1.07 0.31 116.94 121.25 1a77 h PHE 289 Ca -0.02 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1a77 h PHE 289 Cb 0.29 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1a77 h PHE 289 CO -0.03 -0.13 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.69 1a77 h LEU 290 N -0.56 -0.38 0.06 0.59 4.07 -0.64 -1.39 115.31 117.06 1a77 h LEU 290 Ca -0.04 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.75 1a77 h LEU 290 Cb 0.41 0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1a77 h LEU 290 CO 0.07 0.05 -0.03 0.58 -1.08 0.00 0.00 178.44 178.03 1a77 h VAL 291 N -0.91 0.00 0.82 1.22 2.07 -0.98 0.11 116.25 118.58 1a77 h VAL 291 Ca -0.05 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 1a77 h VAL 291 Cb 0.53 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1a77 h VAL 291 CO 0.08 0.00 -0.48 0.44 0.02 0.00 0.00 177.57 177.62 1a77 h ASP 292 N -0.92 -1.20 1.02 0.57 5.19 -0.56 -1.57 116.42 118.97 1a77 h ASP 292 Ca -0.01 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1a77 h ASP 292 Cb 0.06 0.34 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1a77 h ASP 292 CO 0.01 -0.75 -0.54 -0.33 -3.12 0.00 0.00 179.24 174.51 1a77 h GLU 293 N -1.21 0.00 0.00 3.56 5.08 -0.30 -3.38 114.58 118.32 1a77 h GLU 293 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1a77 h GLU 293 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1a77 h GLU 293 CO 0.13 0.00 -0.01 0.09 -1.00 0.00 0.00 179.01 178.22 1a77 n ASN 294 N -2.24 1.41 -2.82 1.42 3.02 -0.53 -4.94 115.26 110.58 1a77 n ASN 294 Ca 0.03 -1.76 -0.21 0.00 -0.03 0.00 0.00 54.58 52.61 1a77 n ASN 294 Cb 0.45 -0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.62 1a77 n ASN 294 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1a77 n ASP 295 N -0.39 -5.64 -4.83 6.41 8.00 -0.59 -4.50 116.55 115.01 1a77 n ASP 295 Ca 0.01 -0.18 -0.31 0.00 0.71 0.00 0.00 54.79 55.02 1a77 n ASP 295 Cb 0.34 -4.62 0.05 0.00 -0.02 0.00 0.00 41.12 36.87 1a77 n ASP 295 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1a77 s PHE 296 N -3.07 3.18 -0.09 1.24 0.40 0.30 -4.94 117.98 115.00 1a77 s PHE 296 Ca 0.20 1.32 -0.30 0.00 -0.60 0.00 0.00 56.93 57.55 1a77 s PHE 296 Cb -0.09 -2.91 -0.03 0.00 0.51 0.00 0.00 43.02 40.50 1a77 s PHE 296 CO 0.24 -1.22 1.30 1.21 0.70 0.00 0.00 175.22 177.46 1a77 s ASN 297 N -3.93 6.94 0.14 1.36 3.84 -1.26 -4.41 114.94 117.62 1a77 s ASN 297 Ca 0.58 1.85 -0.24 0.00 0.21 0.00 0.00 52.86 55.26 1a77 s ASN 297 Cb -0.13 -2.55 -0.00 0.00 -0.55 0.00 0.00 41.25 38.02 1a77 s ASN 297 CO 0.54 -0.71 1.63 0.22 -2.79 0.00 0.00 177.10 176.00 1a77 h TYR 298 N 8.01 -0.66 -0.06 0.43 3.20 -1.95 -0.92 116.97 125.03 1a77 h TYR 298 Ca -0.32 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.62 1a77 h TYR 298 Cb 1.14 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 39.67 1a77 h TYR 298 CO 0.78 -0.33 -0.47 -0.44 -1.64 0.00 0.00 178.16 176.06 1a77 h ASP 299 N -0.30 -1.45 -0.59 -2.11 3.32 -1.99 0.47 116.42 113.78 1a77 h ASP 299 Ca 0.11 0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.35 1a77 h ASP 299 Cb 0.46 0.57 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 1a77 h ASP 299 CO -0.33 -0.47 0.37 -0.09 -1.72 0.00 0.00 179.24 177.00 1a77 h ARG 300 N -0.58 0.73 -0.30 3.56 2.43 -1.94 -1.13 114.38 117.15 1a77 h ARG 300 Ca 0.05 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1a77 h ARG 300 Cb 0.67 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1a77 h ARG 300 CO -0.37 0.48 0.11 0.28 -1.51 0.00 0.00 179.97 178.96 1a77 h VAL 301 N 0.75 1.19 -0.20 0.20 2.07 -0.75 -1.59 116.25 117.92 1a77 h VAL 301 Ca 0.23 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1a77 h VAL 301 Cb -0.03 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1a77 h VAL 301 CO -0.07 0.20 0.05 0.50 0.02 0.00 0.00 177.57 178.27 1a77 h LYS 302 N 0.34 0.13 -0.59 1.57 1.63 0.23 0.10 116.57 119.98 1a77 h LYS 302 Ca 0.10 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1a77 h LYS 302 Cb 0.21 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 1a77 h LYS 302 CO -0.01 0.09 0.35 -0.22 -3.45 0.00 0.00 179.45 176.21 1a77 h LYS 303 N 0.14 0.80 -0.15 1.90 3.64 -1.13 -2.18 116.57 119.58 1a77 h LYS 303 Ca 0.09 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 1a77 h LYS 303 Cb 0.08 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1a77 h LYS 303 CO -0.11 0.56 -0.73 0.45 -2.27 0.00 0.00 179.45 177.36 1a77 h HIS 304 N 0.81 0.91 0.00 1.91 3.86 -0.31 -1.40 115.15 120.93 1a77 h HIS 304 Ca 0.21 -0.39 -0.09 0.00 -1.16 0.00 0.00 60.37 58.95 1a77 h HIS 304 Cb -0.03 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1a77 h HIS 304 CO 0.00 1.19 -0.41 -0.39 0.86 0.00 0.00 177.93 179.18 1a77 h VAL 305 N 0.47 1.03 -0.25 2.45 -1.51 -0.84 0.16 116.25 117.76 1a77 h VAL 305 Ca -0.04 -1.55 -0.11 0.00 -1.23 0.00 0.00 66.70 63.77 1a77 h VAL 305 Cb 1.33 1.91 -0.00 0.00 -2.13 0.00 0.00 31.29 32.39 1a77 h VAL 305 CO 0.14 0.40 -0.28 0.44 -1.23 0.00 0.00 177.57 177.04 1a77 h ASP 306 N 0.00 0.69 -0.27 4.19 3.32 -1.31 -0.85 116.42 122.18 1a77 h ASP 306 Ca -0.00 -0.49 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 1a77 h ASP 306 Cb 0.87 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1a77 h ASP 306 CO 0.05 1.03 0.03 0.50 -1.72 0.00 0.00 179.24 179.14 1a77 h LYS 307 N 0.35 0.46 -0.30 3.56 3.64 -0.85 -2.63 116.57 120.80 1a77 h LYS 307 Ca 0.04 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1a77 h LYS 307 Cb 0.85 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 1a77 h LYS 307 CO 0.07 0.59 0.08 1.25 -2.27 0.00 0.00 179.45 179.17 1a77 h LEU 308 N 0.27 0.07 -0.10 5.20 5.85 -0.62 -1.17 115.31 124.80 1a77 h LEU 308 Ca 0.08 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1a77 h LEU 308 Cb 0.36 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1a77 h LEU 308 CO 0.01 0.07 -0.07 0.22 -0.34 0.00 0.00 178.44 178.33 1a77 h TYR 309 N 0.21 -0.16 -0.59 1.25 5.03 -1.12 -1.39 116.97 120.20 1a77 h TYR 309 Ca 0.14 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.49 1a77 h TYR 309 Cb 0.13 0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.46 1a77 h TYR 309 CO -0.15 -0.11 0.36 -0.91 -1.32 0.00 0.00 178.16 176.03 1a77 h ASN 310 N -0.07 0.59 0.00 -2.11 2.35 -1.14 0.67 115.58 115.88 1a77 h ASN 310 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1a77 h ASN 310 Cb 0.16 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1a77 h ASN 310 CO -0.15 0.41 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.96 1a77 h LEU 311 N 0.71 -0.05 -0.59 1.61 3.38 -0.94 -0.47 115.31 118.96 1a77 h LEU 311 Ca 0.24 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1a77 h LEU 311 Cb 0.01 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1a77 h LEU 311 CO -0.10 -0.03 0.16 0.40 0.09 0.00 0.00 178.44 178.96 1a77 h ILE 312 N -0.04 1.25 -0.36 1.22 2.04 -0.99 0.34 117.51 120.97 1a77 h ILE 312 Ca 0.01 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.03 1a77 h ILE 312 Cb 0.05 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1a77 h ILE 312 CO -0.02 0.32 0.16 0.00 0.00 0.00 0.00 178.15 178.62 1a77 h ALA 313 N 1.04 0.43 -0.32 1.87 0.00 -0.64 1.19 119.26 122.84 1a77 h ALA 313 Ca 0.19 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1a77 h ALA 313 Cb 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1a77 h ALA 313 CO -0.00 -0.22 0.14 -0.91 0.00 0.00 0.00 179.25 178.26 1a77 h ASN 314 N 0.34 0.43 -0.40 0.00 -0.26 -0.88 -1.67 115.58 113.14 1a77 h ASN 314 Ca 0.15 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 1a77 h ASN 314 Cb 0.09 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 1a77 h ASN 314 CO -0.12 0.46 0.24 0.11 -1.06 0.00 0.00 177.43 177.05 1a77 h LYS 315 N 0.37 0.57 -0.03 0.81 1.57 -0.23 -3.51 116.57 116.12 1a77 h LYS 315 Ca 0.11 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1a77 h LYS 315 Cb 0.16 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1a77 h LYS 315 CO -0.01 0.42 0.00 2.41 -0.57 0.00 0.00 179.45 181.69