#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r4x h VAL 3 N 0.00 1.28 -0.79 2.46 2.07 -1.90 -1.40 116.25 117.97 2r4x h VAL 3 Ca 0.00 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 2r4x h VAL 3 Cb 0.00 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2r4x h VAL 3 CO 0.00 0.43 0.44 1.88 0.02 0.00 0.00 177.57 180.33 2r4x h TYR 4 N 0.66 1.08 -0.43 1.57 0.05 -1.96 0.11 116.97 118.05 2r4x h TYR 4 Ca 0.10 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 2r4x h TYR 4 Cb 0.68 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 2r4x h TYR 4 CO 0.05 0.75 0.04 -0.44 -1.05 0.00 0.00 178.16 177.52 2r4x h ASP 5 N 1.09 0.63 -0.14 3.88 3.32 -1.94 -2.18 116.42 121.09 2r4x h ASP 5 Ca 0.28 -0.12 -0.19 0.00 0.02 0.00 0.00 57.03 57.01 2r4x h ASP 5 Cb 0.03 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2r4x h ASP 5 CO -0.05 0.68 -0.63 0.00 -1.72 0.00 0.00 179.24 177.52 2r4x h ALA 6 N 1.40 0.48 0.00 3.45 0.00 -0.69 -2.84 119.26 121.07 2r4x h ALA 6 Ca 0.14 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2r4x h ALA 6 Cb 0.34 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2r4x h ALA 6 CO 0.01 0.69 -0.03 0.00 0.00 0.00 0.00 179.25 179.92 2r4x h ALA 7 N 0.73 1.33 0.00 0.00 0.00 -0.49 -1.56 119.26 119.27 2r4x h ALA 7 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2r4x h ALA 7 Cb 1.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2r4x h ALA 7 CO 0.13 0.04 -0.08 0.00 0.00 0.00 0.00 179.25 179.34 2r4x h ALA 8 N 1.97 1.14 0.00 0.00 0.00 -1.15 -1.05 119.26 120.17 2r4x h ALA 8 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2r4x h ALA 8 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2r4x h ALA 8 CO 0.00 0.10 0.00 1.96 0.00 0.00 0.00 179.25 181.31 2r4x h GLN 9 N 0.00 0.00 -5.83 0.00 1.08 -1.40 -3.38 115.11 105.58 2r4x h GLN 9 Ca -0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 2r4x h GLN 9 Cb 0.35 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.70 2r4x h GLN 9 CO 0.01 0.00 1.79 -0.51 -0.95 0.00 0.00 178.83 179.17 2r4x s LEU 10 N -5.66 3.60 0.82 1.46 1.43 -0.40 -4.93 118.68 115.00 2r4x s LEU 10 Ca 0.03 -2.02 -0.12 0.00 -1.03 0.00 0.00 54.13 50.99 2r4x s LEU 10 Cb 0.09 -2.58 0.09 0.00 0.03 0.00 0.00 46.19 43.81 2r4x s LEU 10 CO 0.52 -1.67 1.16 0.42 0.23 0.00 0.00 176.35 177.02 2r4x s THR 11 N 5.92 2.18 0.24 5.49 -4.23 -1.26 -4.75 115.64 119.22 2r4x s THR 11 Ca 0.56 0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 61.08 2r4x s THR 11 Cb 0.02 -3.00 0.21 0.00 1.34 0.00 0.00 72.50 71.07 2r4x s THR 11 CO 0.05 -0.08 1.72 0.00 -0.54 0.00 0.00 174.62 175.78 2r4x h ALA 12 N -1.11 1.00 -0.49 3.99 0.00 -1.96 0.25 119.26 120.94 2r4x h ALA 12 Ca -0.47 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 2r4x h ALA 12 Cb 1.32 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2r4x h ALA 12 CO 0.65 -0.23 -0.21 -0.44 0.00 0.00 0.00 179.25 179.01 2r4x h ASP 13 N 0.41 1.03 -0.19 0.00 3.32 -1.98 -1.79 116.42 117.21 2r4x h ASP 13 Ca 0.40 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2r4x h ASP 13 Cb 0.61 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2r4x h ASP 13 CO -0.41 1.20 0.10 0.58 -1.72 0.00 0.00 179.24 178.99 2r4x h VAL 14 N 0.86 1.11 -0.55 -1.35 2.07 -1.58 -1.65 116.25 115.17 2r4x h VAL 14 Ca 0.11 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2r4x h VAL 14 Cb 0.80 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2r4x h VAL 14 CO 0.07 0.11 0.27 0.11 0.02 0.00 0.00 177.57 178.15 2r4x h LYS 15 N 0.19 0.77 -0.72 1.57 1.57 -0.94 -0.87 116.57 118.14 2r4x h LYS 15 Ca 0.07 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2r4x h LYS 15 Cb 0.09 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2r4x h LYS 15 CO -0.01 0.59 0.23 -0.22 -0.57 0.00 0.00 179.45 179.47 2r4x h LYS 16 N 0.77 1.12 -0.15 3.15 1.63 -0.93 -1.03 116.57 121.13 2r4x h LYS 16 Ca 0.19 -0.24 -0.17 0.00 -0.85 0.00 0.00 60.65 59.59 2r4x h LYS 16 Cb 0.07 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 2r4x h LYS 16 CO -0.03 0.95 -0.61 -0.44 -3.45 0.00 0.00 179.45 175.87 2r4x h ASP 17 N 1.06 0.59 -0.19 4.20 3.32 -0.55 -1.80 116.42 123.05 2r4x h ASP 17 Ca 0.23 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2r4x h ASP 17 Cb 0.30 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2r4x h ASP 17 CO -0.01 1.06 0.08 -0.07 -1.72 0.00 0.00 179.24 178.58 2r4x h LEU 18 N 0.38 0.26 -0.52 1.55 3.38 -0.93 -0.67 115.31 118.76 2r4x h LEU 18 Ca -0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2r4x h LEU 18 Cb 1.17 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2r4x h LEU 18 CO 0.11 0.34 0.19 0.03 0.09 0.00 0.00 178.44 179.20 2r4x h ARG 19 N 0.17 0.80 -0.52 1.13 3.08 -1.17 -0.33 114.38 117.54 2r4x h ARG 19 Ca 0.07 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 2r4x h ARG 19 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2r4x h ARG 19 CO -0.01 0.72 -0.07 -0.44 -1.07 0.00 0.00 179.97 179.11 2r4x h ASP 20 N 0.71 0.96 0.48 7.04 3.32 -1.23 -2.23 116.42 125.47 2r4x h ASP 20 Ca 0.17 -0.34 -0.15 0.00 0.02 0.00 0.00 57.03 56.74 2r4x h ASP 20 Cb 0.24 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2r4x h ASP 20 CO -0.01 1.07 -0.64 0.77 -1.72 0.00 0.00 179.24 178.71 2r4x h SER 21 N 0.83 0.17 0.50 6.45 4.64 -1.03 -3.12 113.55 121.99 2r4x h SER 21 Ca 0.14 -0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 2r4x h SER 21 Cb 0.62 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2r4x h SER 21 CO 0.04 0.76 -0.41 -0.25 -0.87 0.00 0.00 176.83 176.10 2r4x h TRP 22 N 0.10 0.00 -0.39 4.77 2.91 -0.89 -1.33 115.95 121.12 2r4x h TRP 22 Ca -0.01 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.10 2r4x h TRP 22 Cb 1.15 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.78 2r4x h TRP 22 CO 0.01 0.41 0.27 -0.22 -1.03 0.00 0.00 178.44 177.89 2r4x h LYS 23 N 0.00 0.14 0.00 2.65 3.64 -1.33 0.50 116.57 122.17 2r4x h LYS 23 Ca -0.00 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 2r4x h LYS 23 Cb 0.77 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 2r4x h LYS 23 CO 0.05 0.10 -1.38 0.28 -2.27 0.00 0.00 179.45 176.23 2r4x n VAL 24 N -4.46 1.50 -0.33 2.00 0.31 -1.03 -4.06 118.33 112.27 2r4x n VAL 24 Ca 0.06 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2r4x n VAL 24 Cb 0.36 -2.15 0.14 0.00 -0.91 0.00 0.00 33.84 31.27 2r4x n VAL 24 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2r4x h ILE 25 N -1.00 1.10 0.00 2.52 1.08 -1.18 -2.05 117.51 117.98 2r4x h ILE 25 Ca -0.29 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 2r4x h ILE 25 Cb 1.13 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 2r4x h ILE 25 CO -0.17 0.20 0.00 0.61 -0.69 0.00 0.00 178.15 178.09 2r4x n GLY 26 N -1.34 -1.06 0.13 5.37 0.00 0.17 -3.56 105.19 104.90 2r4x n GLY 26 Ca 0.12 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.11 2r4x n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2r4x h SER 27 N 0.00 0.00 -2.56 1.61 4.64 -1.51 -3.35 113.55 112.38 2r4x h SER 27 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 2r4x h SER 27 Cb 0.13 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.83 2r4x h SER 27 CO 0.00 0.00 -0.89 -0.62 -0.87 0.00 0.00 176.83 174.45 2r4x s ASP 28 N -4.71 2.22 0.20 4.97 2.15 -1.23 -5.00 116.67 115.27 2r4x s ASP 28 Ca 0.09 -3.03 -0.08 0.00 0.43 0.00 0.00 52.55 49.95 2r4x s ASP 28 Cb 0.11 -0.63 0.13 0.00 -0.30 0.00 0.00 42.92 42.22 2r4x s ASP 28 CO 0.56 -0.18 1.70 0.11 -0.17 0.00 0.00 175.17 177.19 2r4x h LYS 29 N 5.85 1.10 -0.24 4.34 1.57 -1.79 -0.17 116.57 127.23 2r4x h LYS 29 Ca 0.21 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 2r4x h LYS 29 Cb 0.90 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 2r4x h LYS 29 CO 0.41 1.00 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.87 2r4x h LYS 30 N 1.03 0.57 -0.02 3.15 3.64 -1.92 0.70 116.57 123.72 2r4x h LYS 30 Ca 0.21 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2r4x h LYS 30 Cb 0.43 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2r4x h LYS 30 CO 0.01 0.87 -0.02 0.78 -2.27 0.00 0.00 179.45 178.82 2r4x h GLY 31 N 0.28 0.04 2.00 5.01 0.00 -1.96 -2.52 103.07 105.92 2r4x h GLY 31 Ca 0.04 -0.04 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2r4x h GLY 31 CO 0.05 0.04 -0.75 3.43 0.00 0.00 0.00 176.54 179.32 2r4x h ASN 32 N -0.44 0.00 0.09 0.19 2.35 -1.12 -2.30 115.58 114.36 2r4x h ASN 32 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2r4x h ASN 32 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2r4x h ASN 32 CO 0.00 0.75 -0.05 1.23 -1.65 0.00 0.00 177.43 177.71 2r4x h GLY 33 N 2.36 -0.13 1.63 2.83 0.00 -0.91 -1.42 103.07 107.43 2r4x h GLY 33 Ca -0.01 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 2r4x h GLY 33 CO 0.10 -0.05 -0.02 -2.08 0.00 0.00 0.00 176.54 174.49 2r4x h VAL 34 N -0.34 1.19 -0.85 4.60 2.07 -1.48 -1.63 116.25 119.81 2r4x h VAL 34 Ca -0.01 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2r4x h VAL 34 Cb 0.29 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2r4x h VAL 34 CO 0.02 0.26 0.44 0.00 0.02 0.00 0.00 177.57 178.31 2r4x h ALA 35 N 1.54 1.18 0.21 1.67 0.00 -1.21 -0.52 119.26 122.14 2r4x h ALA 35 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2r4x h ALA 35 Cb 0.33 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2r4x h ALA 35 CO 0.01 0.64 -0.10 -0.07 0.00 0.00 0.00 179.25 179.73 2r4x h LEU 36 N 1.19 -0.24 -0.10 0.00 3.38 -0.34 -1.93 115.31 117.27 2r4x h LEU 36 Ca 0.29 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2r4x h LEU 36 Cb 0.07 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2r4x h LEU 36 CO -0.04 -0.01 0.06 0.24 0.09 0.00 0.00 178.44 178.78 2r4x h MET 37 N -0.48 0.14 -0.50 1.13 2.86 -1.24 -0.94 114.93 115.90 2r4x h MET 37 Ca -0.03 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2r4x h MET 37 Cb 0.36 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2r4x h MET 37 CO 0.05 0.13 0.18 1.79 1.06 0.00 0.00 176.91 180.13 2r4x h THR 38 N 0.10 1.19 -0.31 2.22 1.35 -1.14 -1.50 112.91 114.82 2r4x h THR 38 Ca 0.04 -0.61 -0.08 0.00 -0.55 0.00 0.00 66.41 65.21 2r4x h THR 38 Cb 0.03 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 67.06 2r4x h THR 38 CO -0.01 0.23 -0.13 0.74 -0.25 0.00 0.00 175.52 176.10 2r4x h THR 39 N 0.71 1.29 -0.50 6.82 2.02 -1.10 -0.94 112.91 121.21 2r4x h THR 39 Ca 0.17 -1.23 0.06 0.00 0.77 0.00 0.00 66.41 66.19 2r4x h THR 39 Cb 0.16 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.95 2r4x h THR 39 CO -0.01 0.39 0.20 0.25 0.37 0.00 0.00 175.52 176.71 2r4x h LEU 40 N 0.40 0.22 -1.22 2.58 5.85 -0.75 0.45 115.31 122.84 2r4x h LEU 40 Ca 0.07 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2r4x h LEU 40 Cb 0.65 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2r4x h LEU 40 CO 0.04 0.15 -0.38 -0.26 -0.34 0.00 0.00 178.44 177.66 2r4x h PHE 41 N 0.38 0.03 0.04 1.25 0.04 -1.10 0.11 116.94 117.69 2r4x h PHE 41 Ca 0.24 -0.01 -0.22 0.00 2.80 0.00 0.00 57.97 60.78 2r4x h PHE 41 Cb 0.23 -0.01 0.02 0.00 2.20 0.00 0.00 35.95 38.40 2r4x h PHE 41 CO -0.15 0.40 -0.88 0.00 -0.60 0.00 0.00 178.31 177.08 2r4x h ALA 42 N 1.60 0.05 0.00 2.45 0.00 -0.32 -3.06 119.26 119.98 2r4x h ALA 42 Ca -0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 2r4x h ALA 42 Cb 0.68 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2r4x h ALA 42 CO 0.05 0.51 -0.87 -0.44 0.00 0.00 0.00 179.25 178.49 2r4x h ASP 43 N 0.07 0.00 -2.30 0.00 3.32 -0.88 -3.39 116.42 113.24 2r4x h ASP 43 Ca -0.12 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.34 2r4x h ASP 43 Cb 1.58 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.73 2r4x h ASP 43 CO 0.17 0.45 -0.91 0.59 -1.72 0.00 0.00 179.24 177.81 2r4x n ASN 44 N -3.03 0.86 -0.12 6.45 4.13 0.36 -4.97 115.26 118.94 2r4x n ASN 44 Ca -0.03 -2.76 0.21 0.00 1.68 0.00 0.00 54.58 53.68 2r4x n ASN 44 Cb 0.74 -0.63 0.63 0.00 -1.54 0.00 0.00 39.78 38.98 2r4x n ASN 44 CO 0.00 0.00 0.00 0.06 0.28 0.00 0.00 177.26 177.60 2r4x h GLN 45 N 4.79 0.15 -0.02 3.52 3.07 -1.72 -1.50 115.11 123.40 2r4x h GLN 45 Ca 0.17 -0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.91 2r4x h GLN 45 Cb 0.84 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.37 2r4x h GLN 45 CO 0.52 0.10 0.01 1.05 0.09 0.00 0.00 178.83 180.60 2r4x h GLU 46 N 0.16 0.00 0.00 0.06 9.09 -1.92 -2.20 114.58 119.77 2r4x h GLU 46 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.76 2r4x h GLU 46 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2r4x h GLU 46 CO -0.06 0.00 0.00 1.79 0.05 0.00 0.00 179.01 180.79 2r4x h THR 47 N 0.00 0.00 0.00 -1.06 1.35 -1.61 -2.51 112.91 109.08 2r4x h THR 47 Ca 0.01 -0.11 -0.01 0.00 -0.55 0.00 0.00 66.41 65.75 2r4x h THR 47 Cb 0.04 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 67.33 2r4x h THR 47 CO -0.00 0.00 -0.05 0.40 -0.25 0.00 0.00 175.52 175.62 2r4x h ILE 48 N 0.00 0.69 -0.09 6.82 2.04 -1.58 -2.30 117.51 123.09 2r4x h ILE 48 Ca 0.00 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.68 2r4x h ILE 48 Cb 0.13 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2r4x h ILE 48 CO 0.00 0.05 0.12 1.23 0.00 0.00 0.00 178.15 179.55 2r4x h GLY 49 N 0.26 0.00 1.74 5.37 0.00 -1.67 0.01 103.07 108.79 2r4x h GLY 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2r4x h GLY 49 CO 0.01 0.00 -0.20 -0.97 0.00 0.00 0.00 176.54 175.38 2r4x h TYR 50 N 0.00 0.00 -0.55 5.60 0.05 -1.65 -3.35 116.97 117.07 2r4x h TYR 50 Ca 0.04 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.49 2r4x h TYR 50 Cb 0.28 0.00 -0.20 0.00 1.01 0.00 0.00 36.73 37.82 2r4x h TYR 50 CO 0.00 0.00 -0.06 1.19 -1.05 0.00 0.00 178.16 178.24 2r4x n PHE 51 N -2.34 1.79 -0.24 4.88 3.72 -0.01 -4.74 117.46 120.51 2r4x n PHE 51 Ca 0.05 -1.93 0.14 0.00 -0.05 0.00 0.00 57.45 55.65 2r4x n PHE 51 Cb 0.45 -0.62 0.42 0.00 -0.94 0.00 0.00 39.48 38.80 2r4x n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2r4x h LYS 52 N 1.35 0.58 -0.31 -1.08 3.64 -1.71 -1.11 116.57 117.93 2r4x h LYS 52 Ca 0.33 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 2r4x h LYS 52 Cb 1.60 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 2r4x h LYS 52 CO 0.66 0.38 0.23 -0.09 -2.27 0.00 0.00 179.45 178.36 2r4x h ARG 53 N 0.59 0.00 0.00 1.90 2.43 -1.94 -1.55 114.38 115.82 2r4x h ARG 53 Ca 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 2r4x h ARG 53 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2r4x h ARG 53 CO -0.19 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.55 2r4x n LEU 54 N -4.37 0.09 0.00 3.80 4.77 -0.42 -4.99 117.00 115.88 2r4x n LEU 54 Ca 0.05 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2r4x n LEU 54 Cb 0.40 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2r4x n LEU 54 CO 0.35 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2r4x n GLY 55 N 0.56 1.26 3.57 -0.72 0.00 -0.58 -4.50 105.19 104.77 2r4x n GLY 55 Ca 0.05 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 2r4x n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2r4x s ASP 56 N -4.00 6.30 0.39 1.61 3.68 -1.26 -4.79 116.67 118.60 2r4x s ASP 56 Ca 0.00 -1.78 0.27 0.00 2.13 0.00 0.00 52.55 53.18 2r4x s ASP 56 Cb 0.00 -2.58 1.37 0.00 -1.45 0.00 0.00 42.92 40.27 2r4x s ASP 56 CO 0.00 -1.71 1.83 -0.37 0.13 0.00 0.00 175.17 175.05 2r4x h VAL 57 N 6.30 0.00 0.00 1.11 -1.51 -1.95 -2.29 116.25 117.91 2r4x h VAL 57 Ca 0.29 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 2r4x h VAL 57 Cb 0.95 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2r4x h VAL 57 CO 1.39 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 176.19 2r4x n SER 58 N -2.48 0.67 0.00 4.19 3.41 -1.26 -1.30 113.62 116.86 2r4x n SER 58 Ca -0.01 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 2r4x n SER 58 Cb 0.12 -0.83 0.59 0.00 -0.26 0.00 0.00 64.21 63.82 2r4x n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r4x n GLN 59 N -2.28 0.07 0.00 4.33 6.02 -0.86 -4.96 117.38 119.70 2r4x n GLN 59 Ca 0.01 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2r4x n GLN 59 Cb 0.18 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.94 2r4x n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r4x n GLY 60 N 1.20 3.26 0.42 1.08 0.00 -0.42 -2.01 105.19 108.72 2r4x n GLY 60 Ca 0.08 -0.03 0.24 0.00 0.00 0.00 0.00 46.02 46.31 2r4x n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2r4x h MET 61 N 0.00 0.35 0.00 1.61 1.85 -1.92 -0.04 114.93 116.77 2r4x h MET 61 Ca 0.00 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.07 2r4x h MET 61 Cb 0.00 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 31.95 2r4x h MET 61 CO 0.00 0.23 -0.01 0.00 -0.40 0.00 0.00 176.91 176.72 2r4x h ALA 62 N 1.60 1.01 -1.69 0.39 0.00 -1.82 -3.42 119.26 115.33 2r4x h ALA 62 Ca 0.59 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.93 2r4x h ALA 62 Cb 1.56 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.28 2r4x h ALA 62 CO -0.27 0.02 0.98 1.21 0.00 0.00 0.00 179.25 181.19 2r4x s ASN 63 N -5.69 6.49 0.28 0.00 3.04 -0.03 -4.92 114.94 114.12 2r4x s ASN 63 Ca 0.01 0.43 -0.00 0.00 0.04 0.00 0.00 52.86 53.33 2r4x s ASN 63 Cb 0.09 -2.55 0.49 0.00 -1.54 0.00 0.00 41.25 37.74 2r4x s ASN 63 CO 0.54 -1.38 1.88 0.44 -3.04 0.00 0.00 177.10 175.53 2r4x h ASP 64 N 9.74 0.97 -0.36 -4.21 3.32 -1.86 0.13 116.42 124.16 2r4x h ASP 64 Ca -0.25 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.74 2r4x h ASP 64 Cb 1.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2r4x h ASP 64 CO 1.14 0.59 -0.10 0.11 -1.72 0.00 0.00 179.24 179.27 2r4x h LYS 65 N 1.08 0.70 -0.29 3.56 1.57 -1.91 0.05 116.57 121.33 2r4x h LYS 65 Ca 0.44 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2r4x h LYS 65 Cb 0.27 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2r4x h LYS 65 CO -0.19 0.86 0.09 1.25 -0.57 0.00 0.00 179.45 180.89 2r4x h LEU 66 N 0.49 0.42 -1.07 2.94 5.85 -1.70 -1.85 115.31 120.40 2r4x h LEU 66 Ca 0.09 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.63 2r4x h LEU 66 Cb 0.61 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2r4x h LEU 66 CO 0.04 0.51 0.63 -0.09 -0.34 0.00 0.00 178.44 179.19 2r4x h ARG 67 N 0.31 1.20 -0.46 1.25 2.43 -0.65 -0.62 114.38 117.85 2r4x h ARG 67 Ca 0.09 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2r4x h ARG 67 Cb 0.24 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2r4x h ARG 67 CO -0.00 0.80 0.23 0.78 -1.51 0.00 0.00 179.97 180.26 2r4x h GLY 68 N 1.24 0.70 1.34 2.80 0.00 -0.62 -1.90 103.07 106.64 2r4x h GLY 68 Ca 0.36 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 2r4x h GLY 68 CO -0.10 0.32 -0.37 -2.08 0.00 0.00 0.00 176.54 174.32 2r4x h VAL 69 N 0.60 1.29 -0.30 4.60 2.07 -0.92 -2.77 116.25 120.82 2r4x h VAL 69 Ca 0.16 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 2r4x h VAL 69 Cb 0.10 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2r4x h VAL 69 CO -0.02 0.50 0.13 0.28 0.02 0.00 0.00 177.57 178.48 2r4x h SER 70 N 0.60 0.40 -0.49 0.57 0.02 -0.91 0.89 113.55 114.63 2r4x h SER 70 Ca 0.06 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 2r4x h SER 70 Cb 0.91 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 2r4x h SER 70 CO 0.08 0.43 0.10 0.40 -1.14 0.00 0.00 176.83 176.70 2r4x h ILE 71 N 0.34 1.24 -0.48 3.27 2.04 -1.40 -2.65 117.51 119.87 2r4x h ILE 71 Ca 0.10 -0.89 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 2r4x h ILE 71 Cb 0.15 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2r4x h ILE 71 CO -0.01 0.32 0.05 0.74 0.00 0.00 0.00 178.15 179.25 2r4x h THR 72 N 0.68 1.23 -0.71 -0.27 2.02 -1.31 -2.33 112.91 112.23 2r4x h THR 72 Ca 0.15 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.48 2r4x h THR 72 Cb 0.36 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 2r4x h THR 72 CO 0.01 0.32 0.44 0.25 0.37 0.00 0.00 175.52 176.90 2r4x h LEU 73 N 0.72 0.71 -1.70 2.58 6.46 -0.51 -2.14 115.31 121.43 2r4x h LEU 73 Ca 0.15 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 2r4x h LEU 73 Cb 0.36 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 2r4x h LEU 73 CO 0.01 0.48 -0.02 0.24 -0.62 0.00 0.00 178.44 178.53 2r4x h MET 74 N 0.85 0.16 0.00 1.25 2.86 -1.09 -1.34 114.93 117.62 2r4x h MET 74 Ca 0.29 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2r4x h MET 74 Cb 0.05 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2r4x h MET 74 CO -0.12 0.20 0.00 1.88 1.06 0.00 0.00 176.91 179.93 2r4x h TYR 75 N 0.16 0.00 -0.09 -0.22 0.05 -1.21 -0.56 116.97 115.11 2r4x h TYR 75 Ca 0.04 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.70 2r4x h TYR 75 Cb 0.15 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.89 2r4x h TYR 75 CO 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 178.16 176.69 2r4x h ALA 76 N 2.30 0.17 -0.53 3.88 0.00 -1.06 -0.93 119.26 123.08 2r4x h ALA 76 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2r4x h ALA 76 Cb 0.68 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2r4x h ALA 76 CO 0.00 0.29 -0.04 -0.07 0.00 0.00 0.00 179.25 179.43 2r4x h LEU 77 N -0.01 0.91 -0.52 0.00 3.38 -1.32 -0.46 115.31 117.28 2r4x h LEU 77 Ca -0.03 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2r4x h LEU 77 Cb 1.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2r4x h LEU 77 CO 0.09 0.99 0.33 -0.61 0.09 0.00 0.00 178.44 179.33 2r4x h GLN 78 N 0.85 0.65 0.22 1.13 5.75 -1.04 -0.24 115.11 122.43 2r4x h GLN 78 Ca 0.15 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 2r4x h GLN 78 Cb 0.55 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 2r4x h GLN 78 CO 0.03 0.43 -0.26 -0.97 -2.65 0.00 0.00 178.83 175.41 2r4x h ASN 79 N 0.67 -0.72 -0.32 -0.69 -0.73 -0.58 -1.27 115.58 111.94 2r4x h ASN 79 Ca 0.20 0.07 0.06 0.00 1.87 0.00 0.00 56.30 58.49 2r4x h ASN 79 Cb -0.04 0.25 -0.05 0.00 0.27 0.00 0.00 38.32 38.75 2r4x h ASN 79 CO -0.06 -0.37 -0.01 -0.26 -0.37 0.00 0.00 177.43 176.36 2r4x h PHE 80 N -0.54 -0.03 -0.64 0.67 0.04 -0.69 -1.95 116.94 113.80 2r4x h PHE 80 Ca 0.00 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.85 2r4x h PHE 80 Cb 0.51 0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.67 2r4x h PHE 80 CO -0.19 -0.06 0.36 0.82 -0.60 0.00 0.00 178.31 178.63 2r4x h ILE 81 N 0.09 0.98 0.00 -0.55 1.08 -0.86 -1.39 117.51 116.85 2r4x h ILE 81 Ca 0.15 -0.23 -0.03 0.00 -0.39 0.00 0.00 64.86 64.36 2r4x h ILE 81 Cb 0.21 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 34.21 2r4x h ILE 81 CO -0.26 0.12 -0.15 0.44 -0.69 0.00 0.00 178.15 177.61 2r4x h ASP 82 N 0.67 0.00 -0.23 1.72 3.32 -0.75 -2.86 116.42 118.28 2r4x h ASP 82 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2r4x h ASP 82 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2r4x h ASP 82 CO -0.17 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.50 2r4x n GLN 83 N -3.77 2.12 -0.24 3.56 1.13 -0.56 -4.55 117.38 115.07 2r4x n GLN 83 Ca -0.02 -1.68 0.13 0.00 -1.94 0.00 0.00 57.00 53.49 2r4x n GLN 83 Cb 0.26 -1.46 0.41 0.00 0.11 0.00 0.00 30.24 29.56 2r4x n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2r4x h LEU 84 N 3.46 0.59 -0.01 1.08 3.38 -1.23 -2.36 115.31 120.22 2r4x h LEU 84 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2r4x h LEU 84 Cb 0.76 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2r4x h LEU 84 CO 0.00 0.30 -0.00 0.47 0.09 0.00 0.00 178.44 179.29 2r4x n ASP 85 N -4.54 0.02 -3.67 -0.43 8.00 -1.26 -4.46 116.55 110.21 2r4x n ASP 85 Ca 0.17 -0.45 -0.29 0.00 0.71 0.00 0.00 54.79 54.92 2r4x n ASP 85 Cb 0.49 -0.18 -0.13 0.00 -0.02 0.00 0.00 41.12 41.27 2r4x n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2r4x s ASN 86 N -2.37 3.64 0.37 -2.24 3.84 -0.89 -5.01 114.94 112.28 2r4x s ASN 86 Ca 0.35 -2.21 0.17 0.00 0.21 0.00 0.00 52.86 51.38 2r4x s ASN 86 Cb 0.21 -0.85 1.09 0.00 -0.55 0.00 0.00 41.25 41.15 2r4x s ASN 86 CO 0.43 -0.32 1.71 -0.65 -2.79 0.00 0.00 177.10 175.47 2r4x h PRO 87 N 7.24 0.37 -0.67 0.43 0.11 -1.78 0.05 132.00 137.75 2r4x h PRO 87 Ca -0.04 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 2r4x h PRO 87 Cb 0.96 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 2r4x h PRO 87 CO 0.44 0.24 0.12 -0.44 -0.21 0.00 0.00 178.00 178.15 2r4x h ASP 88 N 0.38 1.04 0.15 -2.05 3.32 -1.95 -1.47 116.42 115.84 2r4x h ASP 88 Ca 0.68 -0.24 -0.26 0.00 0.02 0.00 0.00 57.03 57.23 2r4x h ASP 88 Cb 1.64 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 40.93 2r4x h ASP 88 CO -0.44 1.03 -1.06 0.44 -1.72 0.00 0.00 179.24 177.49 2r4x h ASP 89 N 1.02 0.77 -0.42 6.45 3.32 -1.36 -2.90 116.42 123.31 2r4x h ASP 89 Ca 0.20 -0.64 0.01 0.00 0.02 0.00 0.00 57.03 56.62 2r4x h ASP 89 Cb 0.42 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2r4x h ASP 89 CO 0.01 1.45 0.27 0.25 -1.72 0.00 0.00 179.24 179.49 2r4x h LEU 90 N 0.31 0.46 -0.19 1.55 5.85 -1.10 -2.20 115.31 119.99 2r4x h LEU 90 Ca -0.12 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2r4x h LEU 90 Cb 1.71 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.62 2r4x h LEU 90 CO 0.20 0.33 0.12 0.58 -0.34 0.00 0.00 178.44 179.33 2r4x h VAL 91 N 0.55 1.07 -0.36 1.05 2.07 -1.31 0.57 116.25 119.89 2r4x h VAL 91 Ca 0.16 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2r4x h VAL 91 Cb -0.05 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2r4x h VAL 91 CO -0.04 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.62 2r4x h VAL 93 N 0.54 1.28 -0.25 0.00 2.07 -1.19 -2.62 116.25 116.09 2r4x h VAL 93 Ca 0.12 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 2r4x h VAL 93 Cb 0.35 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2r4x h VAL 93 CO 0.01 0.55 0.08 0.58 0.02 0.00 0.00 177.57 178.81 2r4x h VAL 94 N 0.63 1.20 -0.35 2.57 2.07 -0.35 -2.03 116.25 119.99 2r4x h VAL 94 Ca 0.02 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2r4x h VAL 94 Cb 1.13 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2r4x h VAL 94 CO 0.12 0.21 0.17 -0.33 0.02 0.00 0.00 177.57 177.76 2r4x h GLU 95 N 0.24 0.47 -0.22 1.57 5.08 -1.00 0.03 114.58 120.76 2r4x h GLU 95 Ca 0.08 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2r4x h GLU 95 Cb 0.24 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2r4x h GLU 95 CO -0.00 0.36 0.02 -0.22 -1.00 0.00 0.00 179.01 178.17 2r4x h LYS 96 N 0.48 0.38 0.00 2.33 1.63 -1.18 -1.43 116.57 118.78 2r4x h LYS 96 Ca 0.12 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 2r4x h LYS 96 Cb 0.04 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2r4x h LYS 96 CO -0.02 0.55 -0.20 0.74 -3.45 0.00 0.00 179.45 177.07 2r4x h PHE 97 N 0.16 0.00 -0.16 1.91 0.04 -0.79 -2.95 116.94 115.15 2r4x h PHE 97 Ca 0.06 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.62 2r4x h PHE 97 Cb 0.37 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.52 2r4x h PHE 97 CO 0.03 0.20 -0.74 0.00 -0.60 0.00 0.00 178.31 177.19 2r4x h ALA 98 N 1.80 0.38 -0.49 2.45 0.00 -0.55 -3.20 119.26 119.65 2r4x h ALA 98 Ca -0.00 -0.59 0.10 0.00 0.00 0.00 0.00 54.91 54.41 2r4x h ALA 98 Cb 0.57 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 2r4x h ALA 98 CO 0.03 0.70 -0.08 0.28 0.00 0.00 0.00 179.25 180.18 2r4x h VAL 99 N 0.51 0.55 -0.16 0.00 2.07 -1.09 0.26 116.25 118.39 2r4x h VAL 99 Ca -0.04 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 2r4x h VAL 99 Cb 1.36 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2r4x h VAL 99 CO 0.15 0.01 -0.10 0.78 0.02 0.00 0.00 177.57 178.43 2r4x h ASN 100 N 0.04 0.23 1.24 0.57 2.35 -1.56 -1.52 115.58 116.93 2r4x h ASN 100 Ca 0.24 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.79 2r4x h ASN 100 Cb 0.37 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 2r4x h ASN 100 CO -0.47 0.37 -0.76 0.45 -1.65 0.00 0.00 177.43 175.37 2r4x h HIS 101 N 0.24 0.00 -0.44 1.19 3.86 -1.24 -3.09 115.15 115.68 2r4x h HIS 101 Ca 0.05 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 2r4x h HIS 101 Cb 0.33 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2r4x h HIS 101 CO 0.01 0.76 -0.02 0.82 0.86 0.00 0.00 177.93 180.36 2r4x h ILE 102 N 0.00 1.26 -0.30 2.45 2.04 0.01 -1.30 117.51 121.67 2r4x h ILE 102 Ca -0.01 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 64.84 2r4x h ILE 102 Cb 1.58 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2r4x h ILE 102 CO 0.10 0.37 0.21 0.74 0.00 0.00 0.00 178.15 179.57 2r4x h THR 103 N 0.62 0.92 -0.45 -0.27 2.02 -1.26 0.10 112.91 114.59 2r4x h THR 103 Ca 0.12 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.25 2r4x h THR 103 Cb 0.52 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2r4x h THR 103 CO 0.03 0.03 0.00 0.54 0.37 0.00 0.00 175.52 176.48 2r4x n ARG 104 N -4.48 2.05 -3.57 6.66 1.74 -0.96 -4.94 116.66 113.17 2r4x n ARG 104 Ca 0.04 -1.63 -0.23 0.00 -0.77 0.00 0.00 57.85 55.26 2r4x n ARG 104 Cb 0.28 -1.35 0.08 0.00 -1.02 0.00 0.00 32.46 30.44 2r4x n ARG 104 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2r4x n LYS 105 N 0.82 -7.76 -3.37 5.56 5.02 0.35 -4.98 118.16 113.80 2r4x n LYS 105 Ca 0.15 0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 56.83 2r4x n LYS 105 Cb 0.38 -5.83 -0.09 0.00 -0.02 0.00 0.00 35.03 29.47 2r4x n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2r4x s ILE 106 N -3.32 5.14 0.90 -0.18 1.01 -0.53 -5.04 121.20 119.18 2r4x s ILE 106 Ca 0.53 -0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.73 2r4x s ILE 106 Cb -0.23 -3.96 0.13 0.00 0.01 0.00 0.00 42.46 38.40 2r4x s ILE 106 CO 0.72 -0.32 1.13 -0.94 0.00 0.00 0.00 174.94 175.53 2r4x s SER 107 N 1.77 3.61 0.25 3.58 1.04 -1.26 -4.59 113.70 118.09 2r4x s SER 107 Ca 0.10 1.02 -0.03 0.00 0.48 0.00 0.00 55.95 57.52 2r4x s SER 107 Cb -0.17 -1.62 0.30 0.00 0.10 0.00 0.00 66.02 64.63 2r4x s SER 107 CO 0.12 -2.49 1.77 0.00 0.98 0.00 0.00 173.24 173.62 2r4x h ALA 108 N -1.46 1.10 -0.44 5.32 0.00 -1.89 -0.68 119.26 121.22 2r4x h ALA 108 Ca -0.50 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 2r4x h ALA 108 Cb 1.32 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2r4x h ALA 108 CO 0.61 0.59 0.12 0.00 0.00 0.00 0.00 179.25 180.57 2r4x h ALA 109 N 1.25 0.57 -0.52 0.00 0.00 -1.95 -1.57 119.26 117.04 2r4x h ALA 109 Ca 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2r4x h ALA 109 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2r4x h ALA 109 CO 0.01 0.24 0.28 1.49 0.00 0.00 0.00 179.25 181.27 2r4x h GLU 110 N 0.57 0.73 -0.90 0.00 4.57 -1.83 -2.64 114.58 115.07 2r4x h GLU 110 Ca 0.14 -0.09 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 2r4x h GLU 110 Cb 0.29 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 2r4x h GLU 110 CO -0.00 0.57 0.59 0.35 -1.18 0.00 0.00 179.01 179.34 2r4x h PHE 111 N 0.70 1.09 0.00 0.92 3.57 -0.84 -2.36 116.94 120.01 2r4x h PHE 111 Ca 0.18 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2r4x h PHE 111 Cb 0.05 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.43 2r4x h PHE 111 CO -0.02 0.62 0.00 0.41 -2.23 0.00 0.00 178.31 177.10 2r4x n GLY 112 N -1.40 -0.76 0.21 2.40 0.00 -0.61 -2.40 105.19 102.63 2r4x n GLY 112 Ca 0.12 0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.31 2r4x n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r4x h LYS 113 N 0.00 0.00 0.00 1.61 1.57 -1.48 -2.15 116.57 116.12 2r4x h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2r4x h LYS 113 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2r4x h LYS 113 CO 0.00 0.00 0.00 -0.12 -0.57 0.00 0.00 179.45 178.76 2r4x n MET 114 N -2.64 0.12 -0.17 3.15 1.56 -1.01 -3.08 117.12 115.06 2r4x n MET 114 Ca 0.01 0.27 -0.03 0.00 -0.27 0.00 0.00 57.70 57.68 2r4x n MET 114 Cb 0.22 -1.70 0.17 0.00 2.15 0.00 0.00 33.22 34.06 2r4x n MET 114 CO 0.00 0.00 0.00 -0.91 -0.73 0.00 0.00 175.97 174.33 2r4x h ASN 115 N 0.00 0.85 0.19 6.12 -0.26 -1.62 -2.01 115.58 118.85 2r4x h ASN 115 Ca 0.00 -0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.59 2r4x h ASN 115 Cb 0.42 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 2r4x h ASN 115 CO 0.00 0.80 -0.09 1.23 -1.06 0.00 0.00 177.43 178.31 2r4x h GLY 116 N 1.01 -0.27 0.51 2.83 0.00 -1.75 -1.34 103.07 104.07 2r4x h GLY 116 Ca 0.20 0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.72 2r4x h GLY 116 CO -0.01 -0.10 0.47 -2.55 0.00 0.00 0.00 176.54 174.36 2r4x h PRO 117 N -0.48 0.77 -0.38 4.80 0.11 -1.69 -1.35 132.00 133.78 2r4x h PRO 117 Ca -0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 2r4x h PRO 117 Cb 0.37 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 2r4x h PRO 117 CO 0.04 0.51 0.20 0.82 -0.21 0.00 0.00 178.00 179.37 2r4x h ILE 118 N 0.79 1.15 -0.84 4.15 2.04 -1.26 0.33 117.51 123.87 2r4x h ILE 118 Ca 0.40 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2r4x h ILE 118 Cb 0.37 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 2r4x h ILE 118 CO -0.25 0.15 0.54 0.50 0.00 0.00 0.00 178.15 179.10 2r4x h LYS 119 N 0.48 1.04 -0.32 2.37 3.64 -0.41 0.98 116.57 124.35 2r4x h LYS 119 Ca 0.13 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 2r4x h LYS 119 Cb 0.07 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2r4x h LYS 119 CO -0.02 0.69 -0.18 0.87 -2.27 0.00 0.00 179.45 178.54 2r4x h LYS 120 N 1.07 0.69 -0.47 1.90 1.57 -0.91 -1.47 116.57 118.94 2r4x h LYS 120 Ca 0.33 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2r4x h LYS 120 Cb -0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2r4x h LYS 120 CO -0.11 0.91 0.18 0.28 -0.57 0.00 0.00 179.45 180.14 2r4x h VAL 121 N 0.45 1.21 -0.42 0.50 2.07 -0.54 -1.13 116.25 118.40 2r4x h VAL 121 Ca 0.07 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 2r4x h VAL 121 Cb 0.71 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2r4x h VAL 121 CO 0.05 0.25 0.26 -0.07 0.02 0.00 0.00 177.57 178.08 2r4x h LEU 122 N 0.63 0.50 -1.55 2.57 3.38 -0.77 -2.48 115.31 117.58 2r4x h LEU 122 Ca 0.16 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2r4x h LEU 122 Cb 0.22 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2r4x h LEU 122 CO -0.01 0.39 0.16 0.00 0.09 0.00 0.00 178.44 179.07 2r4x h ALA 123 N 1.12 1.66 0.00 1.53 0.00 -0.99 -0.30 119.26 122.28 2r4x h ALA 123 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2r4x h ALA 123 Cb -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2r4x h ALA 123 CO -0.03 0.28 0.00 0.66 0.00 0.00 0.00 179.25 180.16 2r4x h SER 124 N 0.46 0.00 -0.53 0.00 4.64 -0.73 0.43 113.55 117.83 2r4x h SER 124 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2r4x h SER 124 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2r4x h SER 124 CO -0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.23 2r4x n LYS 125 N -2.96 3.05 -2.74 4.77 4.76 -0.24 -4.97 118.16 119.84 2r4x n LYS 125 Ca -0.01 -2.52 -0.12 0.00 -2.87 0.00 0.00 58.31 52.79 2r4x n LYS 125 Cb 0.19 -1.57 0.02 0.00 -1.84 0.00 0.00 35.03 31.84 2r4x n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2r4x n ASN 126 N 0.91 -4.08 -4.28 4.39 3.02 0.14 -5.02 115.26 110.35 2r4x n ASN 126 Ca 0.20 -0.18 -0.37 0.00 -0.03 0.00 0.00 54.58 54.20 2r4x n ASN 126 Cb 0.64 -2.92 -0.13 0.00 -0.61 0.00 0.00 39.78 36.77 2r4x n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2r4x s PHE 127 N -2.93 3.23 0.00 3.10 0.08 -0.53 -4.98 117.98 115.96 2r4x s PHE 127 Ca 0.19 -1.38 0.00 0.00 0.12 0.00 0.00 56.93 55.86 2r4x s PHE 127 Cb -0.08 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.11 2r4x s PHE 127 CO 0.23 -0.71 0.00 0.41 -0.10 0.00 0.00 175.22 175.05 2r4x n GLY 128 N 4.80 -1.15 0.33 4.36 0.00 -1.26 -3.09 105.19 109.18 2r4x n GLY 128 Ca -0.13 -1.63 0.17 0.00 0.00 0.00 0.00 46.02 44.43 2r4x n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2r4x h ASP 129 N -0.07 -0.18 -0.54 1.61 5.19 -1.98 -0.51 116.42 119.93 2r4x h ASP 129 Ca 0.00 0.25 0.11 0.00 -0.62 0.00 0.00 57.03 56.77 2r4x h ASP 129 Cb 0.00 0.38 -0.10 0.00 0.18 0.00 0.00 39.33 39.78 2r4x h ASP 129 CO 0.00 -0.31 -0.14 0.50 -3.12 0.00 0.00 179.24 176.18 2r4x h LYS 130 N 0.07 -0.00 -0.19 3.56 3.64 -1.99 0.26 116.57 121.91 2r4x h LYS 130 Ca 0.63 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.84 2r4x h LYS 130 Cb 1.37 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2r4x h LYS 130 CO -0.81 -0.00 -0.59 1.88 -2.27 0.00 0.00 179.45 177.66 2r4x h TYR 131 N -0.00 0.80 -0.75 1.91 0.05 -1.43 -2.29 116.97 115.26 2r4x h TYR 131 Ca 0.26 -0.30 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 2r4x h TYR 131 Cb 0.40 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 2r4x h TYR 131 CO -0.46 1.06 0.31 0.00 -1.05 0.00 0.00 178.16 178.02 2r4x h ALA 132 N 0.87 0.98 -0.50 3.88 0.00 -0.86 -1.27 119.26 122.35 2r4x h ALA 132 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2r4x h ALA 132 Cb 1.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2r4x h ALA 132 CO 0.11 0.60 0.04 -0.91 0.00 0.00 0.00 179.25 179.09 2r4x h ASN 133 N 1.08 0.77 -0.36 0.00 2.35 -0.42 -0.71 115.58 118.29 2r4x h ASN 133 Ca 0.25 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2r4x h ASN 133 Cb 0.21 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2r4x h ASN 133 CO -0.02 0.81 0.13 0.00 -1.65 0.00 0.00 177.43 176.70 2r4x h ALA 134 N 1.28 0.47 -0.17 -0.83 0.00 -0.81 -2.75 119.26 116.45 2r4x h ALA 134 Ca 0.16 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2r4x h ALA 134 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2r4x h ALA 134 CO 0.01 0.09 -0.24 -1.49 0.00 0.00 0.00 179.25 177.62 2r4x h TRP 135 N 0.44 0.33 -0.46 0.00 4.06 -0.90 -2.45 115.95 116.96 2r4x h TRP 135 Ca 0.12 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 60.99 2r4x h TRP 135 Cb 0.22 -0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 2r4x h TRP 135 CO 0.00 0.52 0.19 0.00 -3.56 0.00 0.00 178.44 175.59 2r4x h ALA 136 N 1.48 1.47 -0.11 1.49 0.00 -0.86 -1.16 119.26 121.57 2r4x h ALA 136 Ca 0.04 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2r4x h ALA 136 Cb 0.58 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2r4x h ALA 136 CO 0.04 0.41 -0.39 0.87 0.00 0.00 0.00 179.25 180.18 2r4x h LYS 137 N 0.65 0.24 -0.11 0.00 1.57 -1.19 -0.42 116.57 117.31 2r4x h LYS 137 Ca 0.16 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2r4x h LYS 137 Cb 0.13 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2r4x h LYS 137 CO -0.02 0.60 -0.14 1.25 -0.57 0.00 0.00 179.45 180.58 2r4x h LEU 138 N 0.20 0.31 -1.55 2.94 5.85 -1.11 -2.93 115.31 119.03 2r4x h LEU 138 Ca 0.02 -0.51 0.01 0.00 0.84 0.00 0.00 57.88 58.24 2r4x h LEU 138 Cb 0.79 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2r4x h LEU 138 CO 0.06 0.76 0.31 0.58 -0.34 0.00 0.00 178.44 179.81 2r4x h VAL 139 N -0.12 1.10 0.00 1.05 2.07 -1.10 -1.22 116.25 118.03 2r4x h VAL 139 Ca 0.01 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2r4x h VAL 139 Cb 0.68 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2r4x h VAL 139 CO 0.03 0.11 -0.09 0.00 0.02 0.00 0.00 177.57 177.65 2r4x h ALA 140 N 1.71 1.20 -0.22 1.67 0.00 -0.91 -0.54 119.26 122.18 2r4x h ALA 140 Ca 0.18 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2r4x h ALA 140 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2r4x h ALA 140 CO -0.04 0.11 -0.50 0.28 0.00 0.00 0.00 179.25 179.10 2r4x h VAL 141 N 0.00 1.31 -0.42 0.00 2.07 -1.04 -1.97 116.25 116.19 2r4x h VAL 141 Ca -0.00 -1.71 -0.14 0.00 0.82 0.00 0.00 66.70 65.66 2r4x h VAL 141 Cb 0.33 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2r4x h VAL 141 CO 0.01 0.54 -0.30 0.58 0.02 0.00 0.00 177.57 178.42 2r4x h VAL 142 N 0.44 1.27 -0.33 2.57 2.07 -1.36 -2.72 116.25 118.20 2r4x h VAL 142 Ca -0.00 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 2r4x h VAL 142 Cb 1.11 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2r4x h VAL 142 CO 0.11 0.50 0.19 1.56 0.02 0.00 0.00 177.57 179.95 2r4x h GLN 143 N 0.79 0.44 0.00 1.57 4.20 -1.06 0.05 115.11 121.10 2r4x h GLN 143 Ca 0.08 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2r4x h GLN 143 Cb 0.88 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 2r4x h GLN 143 CO 0.08 0.32 -0.06 0.00 -0.67 0.00 0.00 178.83 178.50 2r4x h ALA 144 N 1.76 1.26 -0.01 3.87 0.00 -1.02 -1.80 119.26 123.33 2r4x h ALA 144 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2r4x h ALA 144 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2r4x h ALA 144 CO -0.02 0.08 -0.45 0.00 0.00 0.00 0.00 179.25 178.85 2r4x n ALA 145 N -2.24 3.51 1.32 0.00 0.00 -0.02 -4.60 120.51 118.48 2r4x n ALA 145 Ca -0.02 -0.48 0.13 0.00 0.00 0.00 0.00 53.44 53.07 2r4x n ALA 145 Cb 0.18 -0.99 0.37 0.00 0.00 0.00 0.00 19.45 19.01 2r4x n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78