#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p5t n LYS 65 N 0.00 0.88 -2.09 -1.24 2.85 -1.26 -4.91 118.16 112.39 2p5t n LYS 65 Ca 0.00 -0.09 -0.43 0.00 -1.05 0.00 0.00 58.31 56.74 2p5t n LYS 65 Cb 0.00 -1.42 -0.03 0.00 -0.65 0.00 0.00 35.03 32.94 2p5t n LYS 65 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2p5t s MET 66 N -2.87 4.02 0.21 -1.58 -1.94 -1.26 -5.02 119.30 110.87 2p5t s MET 66 Ca -0.07 1.92 0.09 0.00 -1.71 0.00 0.00 55.69 55.92 2p5t s MET 66 Cb 0.08 -3.99 -0.04 0.00 2.01 0.00 0.00 34.83 32.89 2p5t s MET 66 CO 0.70 -1.03 -0.02 -0.51 -0.01 0.00 0.00 175.02 174.15 2p5t s LEU 67 N 4.51 3.19 0.52 -0.03 1.43 -1.26 -5.11 118.68 121.92 2p5t s LEU 67 Ca 0.71 -0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 2p5t s LEU 67 Cb -0.29 -1.79 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 2p5t s LEU 67 CO 0.28 0.05 1.26 0.59 0.23 0.00 0.00 176.35 178.77 2p5t n ASN 68 N -0.41 2.31 -0.30 2.29 3.02 -1.26 -4.74 115.26 116.16 2p5t n ASN 68 Ca -0.09 0.99 0.27 0.00 -0.03 0.00 0.00 54.58 55.72 2p5t n ASN 68 Cb 0.57 -1.52 0.60 0.00 -0.61 0.00 0.00 39.78 38.82 2p5t n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2p5t h PRO 69 N 1.47 0.23 0.17 3.52 0.11 -1.99 0.37 132.00 135.88 2p5t h PRO 69 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2p5t h PRO 69 Cb 1.31 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2p5t h PRO 69 CO 0.57 0.15 -0.08 0.28 -0.21 0.00 0.00 178.00 178.71 2p5t h VAL 70 N 0.24 0.00 -1.11 3.15 2.07 -2.00 -3.24 116.25 115.36 2p5t h VAL 70 Ca 0.56 -0.52 0.39 0.00 0.82 0.00 0.00 66.70 67.95 2p5t h VAL 70 Cb 1.73 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.35 2p5t h VAL 70 CO -0.18 0.00 0.66 -0.33 0.02 0.00 0.00 177.57 177.74 2p5t h GLU 71 N -0.74 0.14 -0.63 1.57 5.08 -1.83 0.24 114.58 118.42 2p5t h GLU 71 Ca -0.02 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2p5t h GLU 71 Cb 0.17 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2p5t h GLU 71 CO 0.04 0.09 0.08 0.22 -1.00 0.00 0.00 179.01 178.45 2p5t h ASP 72 N 0.15 1.02 0.17 1.42 3.58 -0.39 -2.42 116.42 119.94 2p5t h ASP 72 Ca 0.80 -0.27 -0.13 0.00 0.42 0.00 0.00 57.03 57.85 2p5t h ASP 72 Cb 2.14 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.91 2p5t h ASP 72 CO -0.59 1.03 -0.46 0.22 -2.88 0.00 0.00 179.24 176.56 2p5t h TYR 73 N 0.97 0.41 0.00 0.28 3.20 -0.58 -2.59 116.97 118.66 2p5t h TYR 73 Ca 0.19 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2p5t h TYR 73 Cb 0.46 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2p5t h TYR 73 CO 0.03 0.74 -0.10 0.93 -1.64 0.00 0.00 178.16 178.12 2p5t h GLU 74 N 0.28 0.00 -0.04 1.82 4.39 -0.96 -1.58 114.58 118.50 2p5t h GLU 74 Ca 0.02 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2p5t h GLU 74 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2p5t h GLU 74 CO 0.08 0.10 -0.12 1.25 -1.16 0.00 0.00 179.01 179.16 2p5t h LEU 75 N 0.00 0.17 -0.94 1.33 5.85 -1.20 -2.68 115.31 117.83 2p5t h LEU 75 Ca -0.00 -0.62 0.27 0.00 0.84 0.00 0.00 57.88 58.37 2p5t h LEU 75 Cb 0.21 -0.05 -0.14 0.00 0.37 0.00 0.00 40.66 41.05 2p5t h LEU 75 CO 0.01 0.76 0.42 0.74 -0.34 0.00 0.00 178.44 180.03 2p5t h THR 76 N -0.41 0.34 -0.21 1.05 2.02 -1.00 0.28 112.91 114.97 2p5t h THR 76 Ca -0.00 -0.10 -0.19 0.00 0.77 0.00 0.00 66.41 66.88 2p5t h THR 76 Cb 0.75 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2p5t h THR 76 CO 0.03 0.06 -0.64 -0.07 0.37 0.00 0.00 175.52 175.26 2p5t h LEU 77 N 0.30 0.86 -1.11 2.58 3.38 -1.32 -1.06 115.31 118.94 2p5t h LEU 77 Ca 0.64 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2p5t h LEU 77 Cb 1.35 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2p5t h LEU 77 CO -0.61 1.28 -0.06 0.11 0.09 0.00 0.00 178.44 179.25 2p5t h LYS 78 N 0.55 0.56 -0.35 1.13 1.79 -0.67 -1.29 116.57 118.29 2p5t h LYS 78 Ca -0.01 -0.14 -0.14 0.00 -2.18 0.00 0.00 60.65 58.18 2p5t h LYS 78 Cb 1.24 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 2p5t h LYS 78 CO 0.13 0.63 -0.33 0.82 -1.08 0.00 0.00 179.45 179.61 2p5t h ILE 79 N 0.52 1.28 -0.40 1.86 2.04 -0.31 -2.19 117.51 120.31 2p5t h ILE 79 Ca 0.10 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 2p5t h ILE 79 Cb 0.43 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2p5t h ILE 79 CO 0.02 0.49 0.13 -0.08 0.00 0.00 0.00 178.15 178.71 2p5t h GLU 80 N 0.66 0.63 -0.55 2.37 4.81 -0.86 -2.12 114.58 119.52 2p5t h GLU 80 Ca 0.07 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2p5t h GLU 80 Cb 0.88 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 2p5t h GLU 80 CO 0.08 0.63 0.20 0.82 -0.73 0.00 0.00 179.01 180.01 2p5t h ILE 81 N 0.51 1.21 0.00 2.32 1.08 -1.11 -1.45 117.51 120.06 2p5t h ILE 81 Ca 0.13 -0.66 -0.00 0.00 -0.39 0.00 0.00 64.86 63.94 2p5t h ILE 81 Cb 0.26 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 2p5t h ILE 81 CO -0.00 0.26 -0.00 0.58 -0.69 0.00 0.00 178.15 178.29 2p5t h VAL 82 N 0.79 1.49 -0.68 1.67 2.07 -1.21 -2.47 116.25 117.90 2p5t h VAL 82 Ca 0.19 -1.44 0.08 0.00 0.82 0.00 0.00 66.70 66.35 2p5t h VAL 82 Cb 0.18 2.47 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 2p5t h VAL 82 CO -0.01 0.37 0.45 0.50 0.02 0.00 0.00 177.57 178.90 2p5t h LYS 83 N -0.62 0.59 -0.27 1.57 3.64 -1.33 0.25 116.57 120.40 2p5t h LYS 83 Ca -0.00 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 2p5t h LYS 83 Cb 0.61 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2p5t h LYS 83 CO 0.00 0.39 -0.20 1.49 -2.27 0.00 0.00 179.45 178.85 2p5t h GLU 84 N 0.61 0.62 -0.27 1.90 4.57 -1.24 -1.84 114.58 118.92 2p5t h GLU 84 Ca 0.31 -0.30 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 2p5t h GLU 84 Cb 0.40 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2p5t h GLU 84 CO -0.10 0.89 -0.31 0.00 -1.18 0.00 0.00 179.01 178.32 2p5t h ARG 85 N 0.35 0.69 -0.07 1.92 3.08 -0.94 -3.18 114.38 116.22 2p5t h ARG 85 Ca 0.05 -0.38 0.04 0.00 0.07 0.00 0.00 59.98 59.76 2p5t h ARG 85 Cb 0.75 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 2p5t h ARG 85 CO 0.05 0.99 -0.26 0.78 -1.07 0.00 0.00 179.97 180.46 2p5t h GLY 86 N 0.42 -0.34 -0.14 0.04 0.00 -0.50 0.13 103.07 102.69 2p5t h GLY 86 Ca 0.04 0.32 0.12 0.00 0.00 0.00 0.00 47.33 47.81 2p5t h GLY 86 CO 0.07 -0.21 -0.10 0.00 0.00 0.00 0.00 176.54 176.31 2p5t h ALA 87 N 0.51 0.46 -0.48 3.60 0.00 -1.41 0.43 119.26 122.37 2p5t h ALA 87 Ca 0.08 0.22 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 2p5t h ALA 87 Cb 0.48 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2p5t h ALA 87 CO -0.28 -0.42 -0.22 -0.91 0.00 0.00 0.00 179.25 177.42 2p5t h ASN 88 N 0.04 1.03 0.05 0.00 4.21 -1.30 0.34 115.58 119.94 2p5t h ASN 88 Ca 0.30 -0.40 -0.09 0.00 1.21 0.00 0.00 56.30 57.32 2p5t h ASN 88 Cb 0.46 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 2p5t h ASN 88 CO -0.58 1.19 -0.28 -0.07 -1.29 0.00 0.00 177.43 176.40 2p5t h LEU 89 N 0.86 0.37 0.25 1.61 3.38 -0.33 -0.69 115.31 120.75 2p5t h LEU 89 Ca 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2p5t h LEU 89 Cb 0.80 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2p5t h LEU 89 CO 0.07 0.65 -0.15 0.25 0.09 0.00 0.00 178.44 179.34 2p5t h LEU 90 N 0.32 -0.38 -0.23 1.67 5.85 0.38 -0.45 115.31 122.48 2p5t h LEU 90 Ca 0.05 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.85 2p5t h LEU 90 Cb 0.67 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 2p5t h LEU 90 CO 0.05 -0.25 -0.20 0.28 -0.34 0.00 0.00 178.44 177.99 2p5t h SER 91 N -0.39 -0.63 -1.00 1.25 0.02 -0.71 -0.48 113.55 111.62 2p5t h SER 91 Ca -0.02 0.12 0.10 0.00 -0.84 0.00 0.00 61.79 61.15 2p5t h SER 91 Cb 0.32 0.31 -0.08 0.00 0.14 0.00 0.00 62.40 63.09 2p5t h SER 91 CO 0.03 -0.24 0.63 0.03 -1.14 0.00 0.00 176.83 176.14 2p5t h ARG 92 N -0.20 1.02 0.20 3.45 3.08 -0.96 -0.86 114.38 120.10 2p5t h ARG 92 Ca 0.13 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2p5t h ARG 92 Cb 0.40 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2p5t h ARG 92 CO -0.35 0.67 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.06 2p5t h LEU 93 N 1.05 -0.22 -0.49 3.04 3.38 -0.17 -2.21 115.31 119.69 2p5t h LEU 93 Ca 0.47 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.45 2p5t h LEU 93 Cb 0.37 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.09 2p5t h LEU 93 CO -0.23 -0.04 -0.15 1.88 0.09 0.00 0.00 178.44 179.99 2p5t h TYR 94 N -0.39 -0.34 -0.64 1.13 0.05 -0.56 0.14 116.97 116.36 2p5t h TYR 94 Ca -0.03 0.05 0.10 0.00 0.05 0.00 0.00 58.73 58.90 2p5t h TYR 94 Cb 0.30 0.23 -0.08 0.00 1.01 0.00 0.00 36.73 38.19 2p5t h TYR 94 CO -0.03 -0.24 0.25 0.00 -1.05 0.00 0.00 178.16 177.09 2p5t h ARG 95 N -0.03 0.41 0.45 4.88 3.08 -1.04 0.35 114.38 122.48 2p5t h ARG 95 Ca 0.24 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 2p5t h ARG 95 Cb 0.39 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2p5t h ARG 95 CO -0.52 0.27 -0.21 -0.92 -1.07 0.00 0.00 179.97 177.52 2p5t h TYR 96 N 0.42 -0.56 -0.91 3.04 3.20 -0.55 -0.37 116.97 121.25 2p5t h TYR 96 Ca 0.33 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.38 2p5t h TYR 96 Cb 0.43 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 2p5t h TYR 96 CO -0.17 -0.30 0.60 1.96 -1.64 0.00 0.00 178.16 178.61 2p5t h GLN 97 N -0.69 0.45 0.06 1.82 4.20 -0.07 -0.21 115.11 120.66 2p5t h GLN 97 Ca -0.06 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2p5t h GLN 97 Cb 0.51 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2p5t h GLN 97 CO 0.10 0.30 -0.03 -0.44 -0.67 0.00 0.00 178.83 178.09 2p5t h ASP 98 N 0.46 -0.07 0.00 1.46 3.32 -0.06 -0.23 116.42 121.30 2p5t h ASP 98 Ca 0.48 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2p5t h ASP 98 Cb 1.11 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2p5t h ASP 98 CO -0.20 0.36 0.13 0.77 -1.72 0.00 0.00 179.24 178.58 2p5t h SER 99 N -0.51 0.00 -0.43 6.45 4.64 0.69 0.51 113.55 124.90 2p5t h SER 99 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2p5t h SER 99 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2p5t h SER 99 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2p5t n GLN 100 N -2.52 3.01 -4.22 4.77 1.13 -0.66 -4.98 117.38 113.92 2p5t n GLN 100 Ca -0.02 -2.41 -0.30 0.00 -1.94 0.00 0.00 57.00 52.33 2p5t n GLN 100 Cb 0.17 -1.51 -0.07 0.00 0.11 0.00 0.00 30.24 28.94 2p5t n GLN 100 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2p5t n GLY 101 N 0.58 -0.18 3.71 1.08 0.00 0.18 -4.92 105.19 105.64 2p5t n GLY 101 Ca 0.17 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 2p5t n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p5t s ILE 102 N -4.14 5.17 0.48 -0.61 1.01 -0.12 -5.04 121.20 117.95 2p5t s ILE 102 Ca 0.09 0.98 -0.24 0.00 0.00 0.00 0.00 60.65 61.48 2p5t s ILE 102 Cb -0.05 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 2p5t s ILE 102 CO 0.96 0.29 1.27 -1.20 0.00 0.00 0.00 174.94 176.27 2p5t n SER 103 N 3.89 2.42 -0.30 3.58 7.64 -1.26 -4.69 113.62 124.89 2p5t n SER 103 Ca -0.06 1.04 0.11 0.00 1.01 0.00 0.00 58.87 60.96 2p5t n SER 103 Cb 0.51 -1.51 0.34 0.00 -1.01 0.00 0.00 64.21 62.54 2p5t n SER 103 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2p5t h ILE 104 N 1.72 0.83 -0.40 0.44 2.04 -1.97 -3.03 117.51 117.15 2p5t h ILE 104 Ca -0.49 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2p5t h ILE 104 Cb 1.30 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2p5t h ILE 104 CO 0.58 0.14 0.00 -0.90 0.00 0.00 0.00 178.15 177.97 2p5t n ASP 105 N -4.60 3.79 -4.57 1.72 5.68 -1.26 -4.92 116.55 112.39 2p5t n ASP 105 Ca 0.19 -2.48 -0.43 0.00 -0.50 0.00 0.00 54.79 51.57 2p5t n ASP 105 Cb 0.46 -0.44 -0.00 0.00 -1.14 0.00 0.00 41.12 40.00 2p5t n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2p5t s ASP 106 N -1.29 6.82 0.49 -1.12 2.15 -1.15 -4.81 116.67 117.76 2p5t s ASP 106 Ca 0.38 -2.40 0.33 0.00 0.43 0.00 0.00 52.55 51.29 2p5t s ASP 106 Cb 0.26 -2.57 1.62 0.00 -0.30 0.00 0.00 42.92 41.93 2p5t s ASP 106 CO 0.16 -1.17 2.00 -0.33 -0.17 0.00 0.00 175.17 175.65 2p5t h GLU 107 N 7.72 0.00 0.06 4.34 5.08 -1.91 -1.80 114.58 128.07 2p5t h GLU 107 Ca 0.42 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.53 2p5t h GLU 107 Cb 0.88 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.14 2p5t h GLU 107 CO 1.45 0.00 -1.09 0.66 -1.00 0.00 0.00 179.01 179.02 2p5t h SER 108 N 0.00 0.62 -2.77 1.42 4.64 -2.00 -3.43 113.55 112.03 2p5t h SER 108 Ca 0.00 -0.55 -0.52 0.00 -0.47 0.00 0.00 61.79 60.25 2p5t h SER 108 Cb 0.19 -0.19 0.05 0.00 -0.31 0.00 0.00 62.40 62.14 2p5t h SER 108 CO 0.00 1.37 0.94 0.21 -0.87 0.00 0.00 176.83 178.49 2p5t s ASN 109 N -7.20 6.48 0.25 4.97 3.84 -0.68 -4.94 114.94 117.67 2p5t s ASN 109 Ca -0.07 2.76 0.08 0.00 0.21 0.00 0.00 52.86 55.84 2p5t s ASN 109 Cb 0.07 -2.60 0.29 0.00 -0.55 0.00 0.00 41.25 38.47 2p5t s ASN 109 CO 0.89 -0.90 1.58 -0.65 -2.79 0.00 0.00 177.10 175.23 2p5t h PRO 110 N 6.70 0.08 -0.81 0.43 0.11 -1.87 -2.76 132.00 133.89 2p5t h PRO 110 Ca -0.43 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 65.69 2p5t h PRO 110 Cb 1.20 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 2p5t h PRO 110 CO 0.93 0.69 0.49 -1.49 -0.21 0.00 0.00 178.00 178.40 2p5t h TRP 111 N 0.06 0.89 -0.30 0.65 4.06 -1.94 -0.82 115.95 118.55 2p5t h TRP 111 Ca -0.01 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 2p5t h TRP 111 Cb 1.14 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 29.00 2p5t h TRP 111 CO 0.01 0.43 0.06 0.82 -3.56 0.00 0.00 178.44 176.20 2p5t h ILE 112 N 0.87 1.15 -0.16 1.49 1.08 -1.77 -1.03 117.51 119.14 2p5t h ILE 112 Ca 0.36 -0.54 0.03 0.00 -0.39 0.00 0.00 64.86 64.31 2p5t h ILE 112 Cb 0.21 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 2p5t h ILE 112 CO -0.19 0.19 0.00 0.25 -0.69 0.00 0.00 178.15 177.72 2p5t h LEU 113 N 0.43 -0.05 0.06 1.44 5.85 -0.99 0.60 115.31 122.66 2p5t h LEU 113 Ca 0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2p5t h LEU 113 Cb 0.19 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2p5t h LEU 113 CO -0.00 -0.00 -0.06 0.24 -0.34 0.00 0.00 178.44 178.28 2p5t h MET 114 N 0.06 -0.13 -0.23 1.25 2.86 -0.94 0.32 114.93 118.12 2p5t h MET 114 Ca 0.08 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 2p5t h MET 114 Cb 0.09 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 2p5t h MET 114 CO -0.13 -0.09 -0.51 0.77 1.06 0.00 0.00 176.91 178.02 2p5t h SER 115 N -0.13 -1.63 -0.29 1.22 0.02 -1.03 0.68 113.55 112.38 2p5t h SER 115 Ca 0.00 0.21 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 2p5t h SER 115 Cb 0.13 0.66 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 2p5t h SER 115 CO -0.02 -0.44 0.09 0.44 -1.14 0.00 0.00 176.83 175.76 2p5t h ASP 116 N -0.50 0.09 0.40 3.07 5.19 -0.59 1.00 116.42 125.08 2p5t h ASP 116 Ca 0.06 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2p5t h ASP 116 Cb 0.64 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.15 2p5t h ASP 116 CO -0.48 0.09 -0.50 -0.78 -3.12 0.00 0.00 179.24 174.44 2p5t h ASP 117 N 0.22 -1.42 0.02 6.45 3.58 0.06 0.22 116.42 125.54 2p5t h ASP 117 Ca 0.13 0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.73 2p5t h ASP 117 Cb 0.10 0.48 -0.05 0.00 1.72 0.00 0.00 39.33 41.59 2p5t h ASP 117 CO -0.14 -0.63 -0.29 0.25 -2.88 0.00 0.00 179.24 175.55 2p5t h LEU 118 N -0.93 -0.86 -0.75 2.28 5.85 -0.54 -2.61 115.31 117.75 2p5t h LEU 118 Ca -0.05 0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.92 2p5t h LEU 118 Cb 0.83 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 2p5t h LEU 118 CO -0.12 -0.36 0.31 -1.28 -0.34 0.00 0.00 178.44 176.65 2p5t h SER 119 N -0.45 0.32 0.03 1.25 0.87 0.12 0.25 113.55 115.93 2p5t h SER 119 Ca 0.06 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 2p5t h SER 119 Cb 0.52 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2p5t h SER 119 CO -0.23 0.13 -0.09 0.44 -0.53 0.00 0.00 176.83 176.55 2p5t h ASP 120 N 0.47 0.15 0.08 6.23 3.32 -0.80 -1.93 116.42 123.94 2p5t h ASP 120 Ca 0.41 -0.02 -0.27 0.00 0.02 0.00 0.00 57.03 57.16 2p5t h ASP 120 Cb 0.59 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 40.13 2p5t h ASP 120 CO -0.38 0.27 -1.09 0.25 -1.72 0.00 0.00 179.24 176.56 2p5t h LEU 121 N 0.16 0.86 -0.88 1.55 5.85 -0.19 -2.62 115.31 120.04 2p5t h LEU 121 Ca 0.03 -0.72 -0.11 0.00 0.84 0.00 0.00 57.88 57.93 2p5t h LEU 121 Cb 0.27 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2p5t h LEU 121 CO 0.01 1.52 -0.51 0.40 -0.34 0.00 0.00 178.44 179.53 2p5t h ILE 122 N 0.34 1.23 0.00 4.05 1.08 -1.02 -2.24 117.51 120.96 2p5t h ILE 122 Ca -0.14 -1.83 -0.16 0.00 -0.39 0.00 0.00 64.86 62.34 2p5t h ILE 122 Cb 1.75 2.02 -0.03 0.00 -3.07 0.00 0.00 36.82 37.50 2p5t h ILE 122 CO 0.21 0.50 -1.34 0.45 -0.69 0.00 0.00 178.15 177.28 2p5t h HIS 123 N 0.00 0.00 0.00 1.37 3.86 -1.34 -3.45 115.15 115.58 2p5t h HIS 123 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2p5t h HIS 123 Cb 0.98 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.45 2p5t h HIS 123 CO 0.00 0.55 0.00 2.41 0.86 0.00 0.00 177.93 181.75 2p5t n THR 124 N -2.91 0.38 -0.24 2.45 -1.04 -0.99 -4.98 114.28 106.96 2p5t n THR 124 Ca -0.09 0.13 -0.08 0.00 -2.04 0.00 0.00 64.05 61.97 2p5t n THR 124 Cb 0.82 -0.83 0.04 0.00 -1.82 0.00 0.00 70.33 68.55 2p5t n THR 124 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2p5t h ASN 125 N 0.00 1.02 -0.87 8.00 2.35 -1.57 -2.86 115.58 121.64 2p5t h ASN 125 Ca 0.00 -0.23 0.17 0.00 -0.55 0.00 0.00 56.30 55.69 2p5t h ASN 125 Cb 0.00 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 38.04 2p5t h ASN 125 CO 0.00 0.99 0.57 0.16 -1.65 0.00 0.00 177.43 177.50 2p5t h ILE 126 N 1.00 0.75 0.00 2.81 3.07 -1.72 0.81 117.51 124.23 2p5t h ILE 126 Ca 0.21 -0.18 -0.00 0.00 1.55 0.00 0.00 64.86 66.44 2p5t h ILE 126 Cb 0.37 0.19 -0.00 0.00 -0.27 0.00 0.00 36.82 37.11 2p5t h ILE 126 CO 0.00 0.09 -0.01 1.88 -1.05 0.00 0.00 178.15 179.07 2p5t h TYR 127 N 0.51 0.00 -0.01 0.16 0.05 -1.80 -2.66 116.97 113.23 2p5t h TYR 127 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.23 2p5t h TYR 127 Cb 0.95 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.69 2p5t h TYR 127 CO -0.00 0.01 -0.14 1.28 -1.05 0.00 0.00 178.16 178.25 2p5t n LEU 128 N -3.10 1.04 -4.72 3.88 4.77 0.27 -4.91 117.00 114.23 2p5t n LEU 128 Ca 0.02 -0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.29 2p5t n LEU 128 Cb 0.38 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 2p5t n LEU 128 CO 0.29 0.19 1.36 0.52 -1.33 0.00 0.00 177.39 178.42 2p5t n VAL 129 N -0.45 0.07 -0.04 4.08 0.31 -1.00 -4.93 118.33 116.36 2p5t n VAL 129 Ca 0.15 -0.02 -0.04 0.00 -0.01 0.00 0.00 64.34 64.42 2p5t n VAL 129 Cb 0.33 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 31.23 2p5t n VAL 129 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2p5t n GLU 130 N 3.83 2.47 -4.26 5.55 1.02 -1.26 -5.06 120.64 122.94 2p5t n GLU 130 Ca 0.16 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.07 2p5t n GLU 130 Cb 0.35 -1.21 -0.07 0.00 -0.02 0.00 0.00 31.44 30.49 2p5t n GLU 130 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2p5t s THR 131 N -2.19 3.61 0.36 2.62 -4.23 -1.26 -5.03 115.64 109.51 2p5t s THR 131 Ca -0.05 -1.80 0.29 0.00 -1.18 0.00 0.00 61.69 58.95 2p5t s THR 131 Cb 0.02 -2.92 0.31 0.00 1.34 0.00 0.00 72.50 71.25 2p5t s THR 131 CO 0.32 -0.35 2.05 -0.26 -0.54 0.00 0.00 174.62 175.84 2p5t h PHE 132 N 1.91 0.00 -0.08 3.99 0.04 -1.98 -2.93 116.94 117.89 2p5t h PHE 132 Ca -0.45 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.08 2p5t h PHE 132 Cb 1.24 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.41 2p5t h PHE 132 CO 0.66 0.11 -0.89 -0.44 -0.60 0.00 0.00 178.31 177.15 2p5t h ASP 133 N 0.00 0.88 -0.86 2.17 5.19 -2.00 -2.80 116.42 119.00 2p5t h ASP 133 Ca -0.00 -0.63 0.14 0.00 -0.62 0.00 0.00 57.03 55.91 2p5t h ASP 133 Cb 0.39 -0.26 -0.07 0.00 0.18 0.00 0.00 39.33 39.57 2p5t h ASP 133 CO 0.01 1.43 0.56 -0.33 -3.12 0.00 0.00 179.24 177.79 2p5t h GLU 134 N 0.45 0.64 -0.15 3.56 5.08 -1.93 -1.69 114.58 120.53 2p5t h GLU 134 Ca -0.08 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 2p5t h GLU 134 Cb 1.53 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2p5t h GLU 134 CO 0.18 0.42 -0.36 0.82 -1.00 0.00 0.00 179.01 179.08 2p5t h ILE 135 N 0.66 1.35 -0.30 3.13 1.08 -1.53 -2.71 117.51 119.19 2p5t h ILE 135 Ca 0.43 -1.62 -0.02 0.00 -0.39 0.00 0.00 64.86 63.25 2p5t h ILE 135 Cb 0.70 2.00 -0.02 0.00 -3.07 0.00 0.00 36.82 36.44 2p5t h ILE 135 CO -0.18 0.49 0.10 -0.33 -0.69 0.00 0.00 178.15 177.54 2p5t h GLU 136 N 0.14 0.42 -0.17 2.37 4.39 -1.19 -1.07 114.58 119.47 2p5t h GLU 136 Ca -0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2p5t h GLU 136 Cb 0.96 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2p5t h GLU 136 CO 0.08 0.37 0.01 0.00 -1.16 0.00 0.00 179.01 178.30 2p5t h ARG 137 N 0.42 0.30 -0.31 2.33 3.08 -1.27 -0.13 114.38 118.80 2p5t h ARG 137 Ca 0.10 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 2p5t h ARG 137 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2p5t h ARG 137 CO -0.01 0.51 0.00 1.88 -1.07 0.00 0.00 179.97 181.28 2p5t h TYR 138 N 0.06 0.49 -0.54 3.04 0.05 -1.15 0.13 116.97 119.05 2p5t h TYR 138 Ca 0.05 -0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 2p5t h TYR 138 Cb 0.36 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 2p5t h TYR 138 CO 0.03 0.48 -0.08 1.03 -1.05 0.00 0.00 178.16 178.58 2p5t h SER 139 N 0.46 0.98 -0.18 3.88 0.87 -0.88 -0.82 113.55 117.85 2p5t h SER 139 Ca 0.10 -0.30 -0.13 0.00 -1.23 0.00 0.00 61.79 60.23 2p5t h SER 139 Cb 0.30 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2p5t h SER 139 CO 0.01 1.07 -0.35 1.23 -0.53 0.00 0.00 176.83 178.26 2p5t h GLY 140 N 0.96 0.75 0.49 5.77 0.00 -0.47 -2.17 103.07 108.41 2p5t h GLY 140 Ca 0.15 -0.72 0.04 0.00 0.00 0.00 0.00 47.33 46.80 2p5t h GLY 140 CO 0.04 0.65 -0.14 -1.82 0.00 0.00 0.00 176.54 175.28 2p5t h TYR 141 N 0.58 -0.34 -0.82 5.60 3.20 -0.33 -2.58 116.97 122.28 2p5t h TYR 141 Ca 0.06 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2p5t h TYR 141 Cb 0.87 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 2p5t h TYR 141 CO 0.04 -0.20 0.50 -0.07 -1.64 0.00 0.00 178.16 176.79 2p5t h LEU 142 N -0.16 0.97 -0.88 2.82 3.38 -1.07 -2.33 115.31 118.03 2p5t h LEU 142 Ca 0.09 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2p5t h LEU 142 Cb 0.30 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2p5t h LEU 142 CO -0.23 0.73 0.55 0.44 0.09 0.00 0.00 178.44 180.02 2p5t h ASP 143 N 1.12 0.86 -0.40 -0.43 3.32 -1.13 -1.31 116.42 118.45 2p5t h ASP 143 Ca 0.29 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.21 2p5t h ASP 143 Cb -0.06 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2p5t h ASP 143 CO -0.06 0.54 -0.35 1.23 -1.72 0.00 0.00 179.24 178.89 2p5t h GLY 144 N 0.99 1.03 0.98 2.75 0.00 -1.04 0.60 103.07 108.38 2p5t h GLY 144 Ca 0.39 -1.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 2p5t h GLY 144 CO -0.18 0.92 0.25 -2.22 0.00 0.00 0.00 176.54 175.32 2p5t h ILE 145 N 0.78 1.21 -0.45 2.60 2.04 -1.28 -2.65 117.51 119.76 2p5t h ILE 145 Ca 0.07 -0.61 -0.13 0.00 1.00 0.00 0.00 64.86 65.19 2p5t h ILE 145 Cb 0.94 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2p5t h ILE 145 CO 0.09 0.24 -0.22 -0.08 0.00 0.00 0.00 178.15 178.18 2p5t h GLU 146 N 0.74 0.91 -0.44 2.37 4.81 -0.99 -1.32 114.58 120.65 2p5t h GLU 146 Ca 0.19 -0.38 0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2p5t h GLU 146 Cb 0.15 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2p5t h GLU 146 CO -0.02 1.03 0.30 0.00 -0.73 0.00 0.00 179.01 179.59 2p5t h ARG 147 N 0.79 0.28 0.01 1.92 3.08 -0.83 -2.67 114.38 116.95 2p5t h ARG 147 Ca 0.10 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 59.92 2p5t h ARG 147 Cb 0.77 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.78 2p5t h ARG 147 CO 0.06 0.19 -0.86 0.52 -1.07 0.00 0.00 179.97 178.81 2p5t h MET 148 N 0.29 0.57 -0.29 0.04 2.86 -0.91 -3.29 114.93 114.20 2p5t h MET 148 Ca 0.20 -0.63 -0.06 0.00 -2.06 0.00 0.00 59.70 57.15 2p5t h MET 148 Cb 0.41 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2p5t h MET 148 CO -0.04 1.24 -0.06 -0.07 1.06 0.00 0.00 176.91 179.03 2p5t h LEU 149 N 0.17 0.45 -2.04 1.22 3.38 -1.04 -0.84 115.31 116.61 2p5t h LEU 149 Ca -0.11 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.82 2p5t h LEU 149 Cb 1.54 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2p5t h LEU 149 CO 0.17 0.56 0.13 -0.33 0.09 0.00 0.00 178.44 179.07 2p5t h GLU 150 N 0.45 0.00 0.05 1.13 5.08 -1.55 0.44 114.58 120.18 2p5t h GLU 150 Ca 0.09 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.14 2p5t h GLU 150 Cb 0.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2p5t h GLU 150 CO 0.02 0.00 -1.73 0.82 -1.00 0.00 0.00 179.01 177.12 2p5t h ILE 151 N 0.00 0.87 -0.14 3.13 2.04 -1.37 -3.32 117.51 118.72 2p5t h ILE 151 Ca 0.08 -2.65 -0.03 0.00 1.00 0.00 0.00 64.86 63.26 2p5t h ILE 151 Cb 0.35 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2p5t h ILE 151 CO -0.00 0.66 -0.04 0.28 0.00 0.00 0.00 178.15 179.05 2p5t h SER 152 N 0.03 0.28 0.51 1.72 0.02 -0.39 -3.19 113.55 112.53 2p5t h SER 152 Ca -0.30 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 2p5t h SER 152 Cb 2.01 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.47 2p5t h SER 152 CO 0.10 0.60 0.00 -0.33 -1.14 0.00 0.00 176.83 176.05 2p5t h GLU 153 N -0.05 0.00 -0.93 3.45 5.08 -0.31 -2.03 114.58 119.79 2p5t h GLU 153 Ca 0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2p5t h GLU 153 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2p5t h GLU 153 CO 0.02 0.00 0.04 1.63 -1.00 0.00 0.00 179.01 179.70 2p5t n LYS 154 N -2.33 1.73 0.00 2.33 5.02 -1.20 -3.36 118.16 120.34 2p5t n LYS 154 Ca 0.01 -0.72 0.00 0.00 -2.02 0.00 0.00 58.31 55.58 2p5t n LYS 154 Cb 0.17 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 2p5t n LYS 154 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2p5t n ARG 155 N 0.14 0.93 -1.69 1.97 1.74 -0.77 -5.07 116.66 113.92 2p5t n ARG 155 Ca 0.09 0.00 -0.58 0.00 -0.77 0.00 0.00 57.85 56.59 2p5t n ARG 155 Cb 0.56 -0.71 -0.07 0.00 -1.02 0.00 0.00 32.46 31.22 2p5t n ARG 155 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2p5t n MET 156 N -1.48 0.97 -0.11 5.56 2.81 -1.22 -4.92 117.12 118.73 2p5t n MET 156 Ca 0.00 0.35 -0.11 0.00 -1.81 0.00 0.00 57.70 56.13 2p5t n MET 156 Cb 0.21 -2.00 -0.03 0.00 -0.71 0.00 0.00 33.22 30.69 2p5t n MET 156 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2p5t h VAL 157 N 4.77 1.28 0.00 2.03 2.07 -1.95 -3.49 116.25 120.95 2p5t h VAL 157 Ca -0.47 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2p5t h VAL 157 Cb 1.33 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2p5t h VAL 157 CO 0.92 0.36 0.00 0.00 0.02 0.00 0.00 177.57 178.86