#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7p n SER 59 N 0.00 0.67 -4.86 4.52 2.88 -1.26 -5.17 113.62 110.40 3a7p n SER 59 Ca 0.00 -0.82 -0.37 0.00 -1.33 0.00 0.00 58.87 56.35 3a7p n SER 59 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 3a7p n SER 59 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3a7p s HIS 60 N -1.43 3.61 0.00 0.66 5.04 -1.26 -4.49 115.29 117.43 3a7p s HIS 60 Ca 0.00 0.60 0.00 0.00 -1.54 0.00 0.00 55.06 54.12 3a7p s HIS 60 Cb 0.00 -2.02 0.00 0.00 0.04 0.00 0.00 32.58 30.60 3a7p s HIS 60 CO 0.00 0.70 0.00 -0.25 -2.34 0.00 0.00 174.74 172.85 3a7p n ASP 61 N 2.03 -3.67 0.16 9.88 9.92 -1.26 -4.89 116.55 128.73 3a7p n ASP 61 Ca -0.19 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.00 3a7p n ASP 61 Cb 0.54 -2.32 -0.04 0.00 -0.64 0.00 0.00 41.12 38.67 3a7p n ASP 61 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3a7p h ASP 62 N 0.00 -0.40 -0.97 -2.24 3.32 -2.00 -2.07 116.42 112.05 3a7p h ASP 62 Ca 0.00 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.25 3a7p h ASP 62 Cb 0.50 0.10 -0.11 0.00 0.22 0.00 0.00 39.33 40.04 3a7p h ASP 62 CO 0.00 0.04 0.57 0.00 -1.72 0.00 0.00 179.24 178.13 3a7p h ALA 63 N -1.11 1.61 -0.34 3.45 0.00 -1.90 0.41 119.26 121.38 3a7p h ALA 63 Ca -0.05 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3a7p h ALA 63 Cb 0.38 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3a7p h ALA 63 CO 0.08 -0.09 0.01 1.25 0.00 0.00 0.00 179.25 180.50 3a7p h LEU 64 N 0.70 0.48 0.02 0.00 6.46 -1.96 -1.16 115.31 119.86 3a7p h LEU 64 Ca 0.57 -0.09 -0.13 0.00 -0.12 0.00 0.00 57.88 58.12 3a7p h LEU 64 Cb 0.90 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 40.72 3a7p h LEU 64 CO -0.40 0.54 -0.50 -0.07 -0.62 0.00 0.00 178.44 177.39 3a7p h LEU 65 N 0.50 0.40 -0.30 2.25 3.38 0.41 -2.68 115.31 119.28 3a7p h LEU 65 Ca 0.11 -0.81 0.01 0.00 0.09 0.00 0.00 57.88 57.28 3a7p h LEU 65 Cb 0.31 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3a7p h LEU 65 CO 0.01 1.16 0.18 -1.13 0.09 0.00 0.00 178.44 178.75 3a7p h ASN 66 N -0.31 0.29 0.02 -0.43 -1.24 -0.65 0.49 115.58 113.75 3a7p h ASN 66 Ca -0.07 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.94 3a7p h ASN 66 Cb 1.26 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.25 3a7p h ASN 66 CO 0.10 0.21 -0.01 0.74 -1.29 0.00 0.00 177.43 177.18 3a7p h THR 67 N 0.36 1.00 -1.00 -3.57 2.02 -1.32 -1.43 112.91 108.98 3a7p h THR 67 Ca 0.12 -0.06 0.14 0.00 0.77 0.00 0.00 66.41 67.38 3a7p h THR 67 Cb -0.01 1.04 -0.09 0.00 -1.74 0.00 0.00 68.15 67.35 3a7p h THR 67 CO -0.05 0.01 0.62 -0.07 0.37 0.00 0.00 175.52 176.41 3a7p h LEU 68 N -0.05 0.87 0.79 2.58 3.38 -1.21 0.18 115.31 121.85 3a7p h LEU 68 Ca -0.00 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3a7p h LEU 68 Cb 0.05 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3a7p h LEU 68 CO 0.00 0.43 -0.46 0.00 0.09 0.00 0.00 178.44 178.51 3a7p h ALA 69 N 1.57 -1.27 0.38 1.53 0.00 -0.19 0.70 119.26 121.97 3a7p h ALA 69 Ca 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3a7p h ALA 69 Cb 0.60 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3a7p h ALA 69 CO -0.28 -1.22 -0.52 0.82 0.00 0.00 0.00 179.25 178.05 3a7p h ILE 70 N -1.16 0.00 -1.00 0.00 2.04 -0.82 -1.12 117.51 115.46 3a7p h ILE 70 Ca -0.11 0.00 0.23 0.00 1.00 0.00 0.00 64.86 65.98 3a7p h ILE 70 Cb 0.92 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.90 3a7p h ILE 70 CO 0.13 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.84 3a7p h LEU 71 N -0.93 0.58 -0.72 1.44 3.38 -0.99 0.14 115.31 118.20 3a7p h LEU 71 Ca -0.04 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3a7p h LEU 71 Cb 0.84 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3a7p h LEU 71 CO -0.14 0.16 -0.17 -0.61 0.09 0.00 0.00 178.44 177.77 3a7p h GLN 72 N 0.54 0.79 -0.42 1.13 5.75 0.09 -1.15 115.11 121.84 3a7p h GLN 72 Ca 0.58 -0.30 -0.12 0.00 -0.15 0.00 0.00 58.65 58.66 3a7p h GLN 72 Cb 1.22 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 3a7p h GLN 72 CO -0.33 0.91 -0.20 -0.22 -2.65 0.00 0.00 178.83 176.34 3a7p h LYS 73 N 0.70 0.83 -0.37 1.69 3.64 0.38 -2.76 116.57 120.68 3a7p h LYS 73 Ca 0.11 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 3a7p h LYS 73 Cb 0.68 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 3a7p h LYS 73 CO 0.05 0.96 0.20 0.93 -2.27 0.00 0.00 179.45 179.32 3a7p h GLU 74 N 0.73 0.52 -0.92 1.90 5.08 -0.64 -1.26 114.58 119.98 3a7p h GLU 74 Ca 0.10 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3a7p h GLU 74 Cb 0.73 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 3a7p h GLU 74 CO 0.06 0.44 0.61 1.25 -1.00 0.00 0.00 179.01 180.36 3a7p h LEU 75 N 0.47 1.01 0.31 1.33 5.85 -1.06 -0.28 115.31 122.94 3a7p h LEU 75 Ca 0.13 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3a7p h LEU 75 Cb 0.07 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3a7p h LEU 75 CO -0.02 0.70 -0.15 0.11 -0.34 0.00 0.00 178.44 178.74 3a7p h LYS 76 N 1.17 -0.40 -0.95 1.25 1.57 -1.21 -2.00 116.57 116.01 3a7p h LYS 76 Ca 0.36 0.03 0.27 0.00 -1.87 0.00 0.00 60.65 59.44 3a7p h LYS 76 Cb -0.01 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 32.25 3a7p h LYS 76 CO -0.11 -0.10 0.43 1.03 -0.57 0.00 0.00 179.45 180.13 3a7p h SER 77 N -0.70 0.32 0.75 0.86 0.87 -0.71 0.60 113.55 115.54 3a7p h SER 77 Ca -0.04 0.18 -0.18 0.00 -1.23 0.00 0.00 61.79 60.52 3a7p h SER 77 Cb 0.48 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 3a7p h SER 77 CO 0.07 -0.11 -0.85 0.11 -0.53 0.00 0.00 176.83 175.52 3a7p h LYS 78 N 0.31 0.06 -0.15 2.24 1.57 -0.92 -2.38 116.57 117.30 3a7p h LYS 78 Ca 0.64 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 59.23 3a7p h LYS 78 Cb 1.36 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 3a7p h LYS 78 CO -0.61 0.87 -0.42 0.93 -0.57 0.00 0.00 179.45 179.66 3a7p h GLU 79 N 0.03 0.35 -0.33 3.15 5.08 -0.17 -1.13 114.58 121.58 3a7p h GLU 79 Ca -0.02 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 3a7p h GLU 79 Cb 1.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 3a7p h GLU 79 CO 0.12 0.72 -0.08 0.37 -1.00 0.00 0.00 179.01 179.13 3a7p h GLN 80 N 0.29 0.63 -0.32 2.33 4.15 -1.13 -2.81 115.11 118.26 3a7p h GLN 80 Ca 0.02 -0.24 0.06 0.00 0.77 0.00 0.00 58.65 59.26 3a7p h GLN 80 Cb 0.86 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.46 3a7p h GLN 80 CO 0.07 0.81 -0.06 1.49 -1.93 0.00 0.00 178.83 179.21 3a7p h GLU 81 N 0.41 0.02 -0.68 1.69 4.57 -1.01 -1.09 114.58 118.49 3a7p h GLU 81 Ca 0.08 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.32 3a7p h GLU 81 Cb 0.58 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.13 3a7p h GLU 81 CO 0.03 0.01 0.45 0.82 -1.18 0.00 0.00 179.01 179.15 3a7p h ILE 82 N 0.02 1.01 -0.11 2.32 2.04 -1.11 -0.23 117.51 121.46 3a7p h ILE 82 Ca 0.15 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3a7p h ILE 82 Cb 0.23 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3a7p h ILE 82 CO -0.31 0.13 0.00 0.03 0.00 0.00 0.00 178.15 178.00 3a7p h ARG 83 N 0.69 0.19 -0.18 2.37 3.08 -0.96 -1.67 114.38 117.89 3a7p h ARG 83 Ca 0.30 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.30 3a7p h ARG 83 Cb 0.27 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3a7p h ARG 83 CO -0.09 0.43 0.07 0.00 -1.07 0.00 0.00 179.97 179.30 3a7p h ARG 84 N -0.08 0.15 -0.62 0.04 3.08 -0.70 -0.28 114.38 115.97 3a7p h ARG 84 Ca 0.03 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.14 3a7p h ARG 84 Cb 0.35 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 3a7p h ARG 84 CO 0.01 0.10 0.31 -0.07 -1.07 0.00 0.00 179.97 179.25 3a7p h LEU 85 N 0.16 0.43 -1.30 3.04 3.38 -1.03 0.36 115.31 120.35 3a7p h LEU 85 Ca 0.08 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3a7p h LEU 85 Cb 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3a7p h LEU 85 CO -0.07 0.27 0.12 0.11 0.09 0.00 0.00 178.44 178.96 3a7p h LYS 86 N 0.57 0.60 -0.21 1.13 1.57 -0.74 -0.51 116.57 118.98 3a7p h LYS 86 Ca 0.29 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 3a7p h LYS 86 Cb 0.23 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3a7p h LYS 86 CO -0.21 0.54 -0.13 1.49 -0.57 0.00 0.00 179.45 180.57 3a7p h GLU 87 N 0.59 0.46 -0.48 3.15 4.57 0.72 -2.16 114.58 121.43 3a7p h GLU 87 Ca 0.14 -0.21 0.06 0.00 -1.18 0.00 0.00 59.36 58.17 3a7p h GLU 87 Cb 0.20 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 3a7p h GLU 87 CO -0.01 0.76 0.17 0.28 -1.18 0.00 0.00 179.01 179.04 3a7p h VAL 88 N 0.16 0.85 -1.00 0.32 2.07 0.26 -0.29 116.25 118.62 3a7p h VAL 88 Ca 0.04 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3a7p h VAL 88 Cb 0.64 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3a7p h VAL 88 CO 0.04 0.06 0.66 0.40 0.02 0.00 0.00 177.57 178.75 3a7p h ILE 89 N 0.35 1.23 0.05 4.57 2.04 -1.04 0.80 117.51 125.51 3a7p h ILE 89 Ca 0.23 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.65 3a7p h ILE 89 Cb 0.23 -0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.06 3a7p h ILE 89 CO -0.23 0.24 -0.18 0.00 0.00 0.00 0.00 178.15 177.99 3a7p h ALA 90 N 1.38 -0.25 0.06 1.87 0.00 -0.43 -1.27 119.26 120.61 3a7p h ALA 90 Ca 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3a7p h ALA 90 Cb -0.11 0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3a7p h ALA 90 CO -0.09 -0.68 -0.03 -0.07 0.00 0.00 0.00 179.25 178.38 3a7p h LEU 91 N -0.31 -0.06 -0.93 0.00 3.38 -0.68 -2.75 115.31 113.95 3a7p h LEU 91 Ca 0.04 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.03 3a7p h LEU 91 Cb 0.36 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 3a7p h LEU 91 CO -0.13 0.10 0.53 0.11 0.09 0.00 0.00 178.44 179.14 3a7p h LYS 92 N -0.22 0.71 -0.36 1.13 6.56 -0.68 0.20 116.57 123.90 3a7p h LYS 92 Ca -0.01 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.52 3a7p h LYS 92 Cb 0.20 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 3a7p h LYS 92 CO 0.01 0.47 0.13 -0.91 -2.06 0.00 0.00 179.45 177.09 3a7p h ASN 93 N 0.73 0.46 -0.13 0.86 2.35 -1.04 0.36 115.58 119.16 3a7p h ASN 93 Ca 0.51 -0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 56.02 3a7p h ASN 93 Cb 0.73 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.99 3a7p h ASN 93 CO -0.36 0.44 -0.69 0.11 -1.65 0.00 0.00 177.43 175.28 3a7p h LYS 94 N 0.51 0.70 -0.41 0.81 1.57 -0.47 -2.20 116.57 117.08 3a7p h LYS 94 Ca 0.12 -0.58 -0.07 0.00 -1.87 0.00 0.00 60.65 58.26 3a7p h LYS 94 Cb 0.14 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3a7p h LYS 94 CO -0.01 1.19 -0.02 -0.97 -0.57 0.00 0.00 179.45 179.07 3a7p h ASN 95 N 0.39 0.64 -0.62 0.86 -1.24 0.05 -2.05 115.58 113.61 3a7p h ASN 95 Ca -0.05 -0.15 -0.07 0.00 0.71 0.00 0.00 56.30 56.75 3a7p h ASN 95 Cb 1.32 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 40.18 3a7p h ASN 95 CO 0.14 0.72 0.13 0.74 -1.29 0.00 0.00 177.43 177.87 3a7p h THR 96 N 0.63 1.26 -0.37 -3.57 2.02 -0.21 -0.33 112.91 112.33 3a7p h THR 96 Ca 0.12 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 3a7p h THR 96 Cb 0.43 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3a7p h THR 96 CO 0.02 0.36 0.14 -0.33 0.37 0.00 0.00 175.52 176.08 3a7p h GLU 97 N 0.91 0.56 0.13 6.66 5.08 -1.12 0.17 114.58 126.98 3a7p h GLU 97 Ca 0.19 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3a7p h GLU 97 Cb 0.39 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3a7p h GLU 97 CO 0.01 0.55 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.22 3a7p h ARG 98 N 0.45 -0.45 -0.46 2.33 2.43 -1.07 -0.52 114.38 117.08 3a7p h ARG 98 Ca 0.12 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 3a7p h ARG 98 Cb 0.20 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 3a7p h ARG 98 CO -0.01 -0.30 0.10 -0.07 -1.51 0.00 0.00 179.97 178.18 3a7p h LEU 99 N -0.47 0.02 -0.57 3.80 3.38 -0.82 -0.65 115.31 120.00 3a7p h LEU 99 Ca 0.03 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.16 3a7p h LEU 99 Cb 0.48 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 3a7p h LEU 99 CO -0.13 0.04 0.19 0.78 0.09 0.00 0.00 178.44 179.41 3a7p h ASN 100 N 0.23 0.18 -0.23 -0.43 2.35 -0.12 0.12 115.58 117.68 3a7p h ASN 100 Ca 0.23 0.08 0.01 0.00 -0.55 0.00 0.00 56.30 56.06 3a7p h ASN 100 Cb 0.28 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3a7p h ASN 100 CO -0.29 0.12 0.14 0.00 -1.65 0.00 0.00 177.43 175.74 3a7p h ALA 101 N 1.39 0.29 0.37 -0.83 0.00 -0.12 -0.98 119.26 119.37 3a7p h ALA 101 Ca 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3a7p h ALA 101 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3a7p h ALA 101 CO -0.30 -0.26 -0.26 0.00 0.00 0.00 0.00 179.25 178.44 3a7p h ALA 102 N 1.10 -0.61 -0.85 0.00 0.00 -0.34 -0.82 119.26 117.75 3a7p h ALA 102 Ca 0.09 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3a7p h ALA 102 Cb -0.01 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3a7p h ALA 102 CO -0.04 -0.86 0.51 1.25 0.00 0.00 0.00 179.25 180.11 3a7p h LEU 103 N -0.62 0.77 -0.43 0.00 5.85 -0.65 0.63 115.31 120.86 3a7p h LEU 103 Ca -0.03 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 3a7p h LEU 103 Cb 0.52 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3a7p h LEU 103 CO 0.02 0.47 0.03 0.40 -0.34 0.00 0.00 178.44 179.01 3a7p h ILE 104 N 0.90 1.25 -0.27 4.05 2.04 -1.02 0.14 117.51 124.60 3a7p h ILE 104 Ca 0.39 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 3a7p h ILE 104 Cb 0.26 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3a7p h ILE 104 CO -0.20 0.34 0.11 -1.28 0.00 0.00 0.00 178.15 177.11 3a7p h SER 105 N 0.59 0.37 -0.68 1.72 0.87 -0.23 -0.32 113.55 115.87 3a7p h SER 105 Ca 0.13 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 3a7p h SER 105 Cb 0.45 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3a7p h SER 105 CO 0.02 0.44 0.20 1.23 -0.53 0.00 0.00 176.83 178.19 3a7p h GLY 106 N 0.28 1.14 0.68 5.77 0.00 0.32 -1.42 103.07 109.83 3a7p h GLY 106 Ca 0.09 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 3a7p h GLY 106 CO -0.01 0.63 -0.07 -0.84 0.00 0.00 0.00 176.54 176.26 3a7p h THR 107 N 0.99 1.01 -0.73 4.70 2.02 -0.75 -0.22 112.91 119.93 3a7p h THR 107 Ca 0.22 -0.68 0.11 0.00 0.77 0.00 0.00 66.41 66.83 3a7p h THR 107 Cb 0.31 1.43 -0.08 0.00 -1.74 0.00 0.00 68.15 68.07 3a7p h THR 107 CO -0.01 0.16 0.35 0.40 0.37 0.00 0.00 175.52 176.79 3a7p h ILE 108 N -0.51 0.79 0.02 3.11 2.04 -1.05 -2.06 117.51 119.85 3a7p h ILE 108 Ca -0.02 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3a7p h ILE 108 Cb 0.40 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3a7p h ILE 108 CO 0.03 0.10 -0.01 -0.08 0.00 0.00 0.00 178.15 178.20 3a7p h GLU 109 N 0.57 -0.02 -0.79 2.37 4.81 -1.08 -1.32 114.58 119.11 3a7p h GLU 109 Ca 0.37 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.67 3a7p h GLU 109 Cb 0.45 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 3a7p h GLU 109 CO -0.31 0.07 0.52 -0.91 -0.73 0.00 0.00 179.01 177.66 3a7p h ASN 110 N -0.11 0.76 -0.64 1.04 4.21 -0.59 -0.08 115.58 120.17 3a7p h ASN 110 Ca -0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 3a7p h ASN 110 Cb 0.10 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.11 3a7p h ASN 110 CO 0.00 0.49 0.28 -1.13 -1.29 0.00 0.00 177.43 175.78 3a7p h ASN 111 N 0.87 0.87 -0.62 5.81 -0.73 -1.01 -0.99 115.58 119.77 3a7p h ASN 111 Ca 0.34 -0.16 -0.03 0.00 1.87 0.00 0.00 56.30 58.32 3a7p h ASN 111 Cb 0.22 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 3a7p h ASN 111 CO -0.12 0.78 0.26 0.58 -0.37 0.00 0.00 177.43 178.57 3a7p h VAL 112 N 0.89 1.23 -0.05 2.57 2.07 0.02 -1.83 116.25 121.15 3a7p h VAL 112 Ca 0.22 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3a7p h VAL 112 Cb 0.17 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3a7p h VAL 112 CO -0.02 0.27 -0.04 0.25 0.02 0.00 0.00 177.57 178.05 3a7p h LEU 113 N 0.85 -0.12 -1.02 2.57 5.85 -0.66 -0.41 115.31 122.37 3a7p h LEU 113 Ca 0.21 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.03 3a7p h LEU 113 Cb 0.18 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 3a7p h LEU 113 CO -0.02 -0.06 0.64 1.56 -0.34 0.00 0.00 178.44 180.23 3a7p h GLN 114 N -0.05 1.09 -0.68 1.25 4.20 -0.99 -0.60 115.11 119.33 3a7p h GLN 114 Ca 0.03 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3a7p h GLN 114 Cb 0.10 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 3a7p h GLN 114 CO -0.08 0.72 0.31 0.37 -0.67 0.00 0.00 178.83 179.48 3a7p h GLN 115 N 1.12 1.00 -0.55 1.46 4.15 -0.62 -1.72 115.11 119.95 3a7p h GLN 115 Ca 0.45 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.63 3a7p h GLN 115 Cb 0.25 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3a7p h GLN 115 CO -0.19 0.80 0.01 0.87 -1.93 0.00 0.00 178.83 178.39 3a7p h LYS 116 N 0.96 0.93 -0.15 1.69 1.57 0.36 -1.73 116.57 120.19 3a7p h LYS 116 Ca 0.23 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3a7p h LYS 116 Cb 0.15 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3a7p h LYS 116 CO -0.03 0.91 0.06 -0.07 -0.57 0.00 0.00 179.45 179.76 3a7p h LEU 117 N 0.86 0.21 -1.12 2.94 3.38 -0.97 0.55 115.31 121.15 3a7p h LEU 117 Ca 0.16 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3a7p h LEU 117 Cb 0.49 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 3a7p h LEU 117 CO 0.02 0.31 0.60 -1.28 0.09 0.00 0.00 178.44 178.19 3a7p h SER 118 N 0.09 0.90 -0.05 -0.43 0.87 -1.13 0.30 113.55 114.09 3a7p h SER 118 Ca 0.05 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3a7p h SER 118 Cb 0.17 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3a7p h SER 118 CO -0.00 0.54 -0.03 0.44 -0.53 0.00 0.00 176.83 177.25 3a7p h ASP 119 N 1.00 0.12 -0.92 6.23 5.19 -0.88 -2.71 116.42 124.44 3a7p h ASP 119 Ca 0.42 -0.42 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3a7p h ASP 119 Cb 0.32 -0.03 -0.05 0.00 0.18 0.00 0.00 39.33 39.75 3a7p h ASP 119 CO -0.18 0.52 0.59 0.25 -3.12 0.00 0.00 179.24 177.29 3a7p h LEU 120 N -0.28 1.08 -0.03 1.55 6.46 -0.41 -1.77 115.31 121.90 3a7p h LEU 120 Ca 0.01 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.76 3a7p h LEU 120 Cb 0.47 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 3a7p h LEU 120 CO 0.01 0.80 -0.21 0.50 -0.62 0.00 0.00 178.44 178.91 3a7p h LYS 121 N 1.26 -0.31 -0.01 1.25 3.64 -0.30 0.21 116.57 122.29 3a7p h LYS 121 Ca 0.34 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3a7p h LYS 121 Cb -0.11 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3a7p h LYS 121 CO -0.07 -0.21 -0.01 0.87 -2.27 0.00 0.00 179.45 177.76 3a7p h LYS 122 N -0.33 -0.01 -0.59 1.90 1.57 -1.14 -1.25 116.57 116.72 3a7p h LYS 122 Ca 0.07 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3a7p h LYS 122 Cb 0.42 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 3a7p h LYS 122 CO -0.22 -0.01 0.26 0.93 -0.57 0.00 0.00 179.45 179.85 3a7p h GLU 123 N -0.01 0.47 -0.38 3.15 5.08 -1.00 -0.15 114.58 121.74 3a7p h GLU 123 Ca 0.01 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3a7p h GLU 123 Cb 0.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3a7p h GLU 123 CO -0.02 0.31 0.23 1.25 -1.00 0.00 0.00 179.01 179.78 3a7p h HIS 124 N 0.48 0.49 -0.51 4.33 2.76 -0.28 -0.79 115.15 121.64 3a7p h HIS 124 Ca 0.28 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.39 3a7p h HIS 124 Cb 0.27 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 3a7p h HIS 124 CO -0.13 0.35 0.08 0.66 -1.30 0.00 0.00 177.93 177.59 3a7p h SER 125 N 0.49 0.75 -0.26 3.26 4.64 -0.64 -0.94 113.55 120.86 3a7p h SER 125 Ca 0.13 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 3a7p h SER 125 Cb 0.00 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 3a7p h SER 125 CO -0.03 0.77 -0.13 1.56 -0.87 0.00 0.00 176.83 178.14 3a7p h GLN 126 N 0.76 0.67 -0.33 4.77 4.20 -0.61 -0.19 115.11 124.38 3a7p h GLN 126 Ca 0.16 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 3a7p h GLN 126 Cb 0.35 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3a7p h GLN 126 CO 0.01 0.78 -0.03 1.25 -0.67 0.00 0.00 178.83 180.16 3a7p h LEU 127 N 0.61 0.60 -0.60 1.46 5.85 -0.61 -2.75 115.31 119.88 3a7p h LEU 127 Ca 0.11 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.55 3a7p h LEU 127 Cb 0.57 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3a7p h LEU 127 CO 0.04 0.79 0.31 0.58 -0.34 0.00 0.00 178.44 179.81 3a7p h VAL 128 N 0.40 0.93 0.00 1.05 2.07 -0.67 -0.86 116.25 119.17 3a7p h VAL 128 Ca 0.09 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3a7p h VAL 128 Cb 0.50 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3a7p h VAL 128 CO 0.02 0.10 0.15 0.00 0.02 0.00 0.00 177.57 177.87 3a7p n ALA 129 N -2.36 0.83 0.18 1.67 0.00 -0.13 -1.47 120.51 119.22 3a7p n ALA 129 Ca 0.07 0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.70 3a7p n ALA 129 Cb 0.18 -1.03 0.32 0.00 0.00 0.00 0.00 19.45 18.92 3a7p n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a7p h ARG 130 N 0.00 0.00 0.00 0.00 3.08 -1.06 -2.37 114.38 114.03 3a7p h ARG 130 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3a7p h ARG 130 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3a7p h ARG 130 CO 0.00 0.42 0.00 0.91 -1.07 0.00 0.00 179.97 180.23 3a7p n TRP 131 N -3.65 0.00 0.13 3.04 8.01 -0.54 -1.98 117.44 122.44 3a7p n TRP 131 Ca -0.01 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.18 3a7p n TRP 131 Cb 0.51 -0.44 0.12 0.00 -2.01 0.00 0.00 31.31 29.49 3a7p n TRP 131 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 3a7p h LEU 132 N 0.00 0.00 -0.12 -0.99 4.07 -1.61 -3.54 115.31 113.12 3a7p h LEU 132 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3a7p h LEU 132 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 3a7p h LEU 132 CO 0.00 0.63 0.00 0.29 -1.08 0.00 0.00 178.44 178.28