#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nwh h ASN 49 N 0.00 -1.03 -0.17 0.00 4.21 -2.06 -2.18 115.58 114.36 3nwh h ASN 49 Ca 0.00 0.11 0.05 0.00 1.21 0.00 0.00 56.30 57.67 3nwh h ASN 49 Cb 0.00 0.38 -0.01 0.00 -1.12 0.00 0.00 38.32 37.57 3nwh h ASN 49 CO 0.00 -0.45 0.17 0.28 -1.29 0.00 0.00 177.43 176.13 3nwh h SER 50 N -0.62 0.00 -0.02 5.81 0.02 -2.05 -3.07 113.55 113.62 3nwh h SER 50 Ca 0.02 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 3nwh h SER 50 Cb 0.63 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.18 3nwh h SER 50 CO -0.18 0.00 -0.30 -0.33 -1.14 0.00 0.00 176.83 174.88 3nwh h GLU 51 N 0.00 0.23 -0.65 3.45 5.08 -1.82 -0.73 114.58 120.13 3nwh h GLU 51 Ca 0.08 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3nwh h GLU 51 Cb 0.42 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 3nwh h GLU 51 CO -0.00 0.93 0.36 0.00 -1.00 0.00 0.00 179.01 179.30 3nwh h ALA 52 N 0.31 0.87 0.81 3.43 0.00 -1.42 0.48 119.26 123.75 3nwh h ALA 52 Ca -0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3nwh h ALA 52 Cb 1.02 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.70 3nwh h ALA 52 CO 0.06 0.04 -0.40 0.00 0.00 0.00 0.00 179.25 178.94 3nwh h ARG 54 N -1.11 -0.05 0.01 0.00 9.65 -0.76 0.44 114.38 122.57 3nwh h ARG 54 Ca -0.11 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.62 3nwh h ARG 54 Cb 0.85 0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.46 3nwh h ARG 54 CO 0.17 -0.03 -0.62 -0.44 2.80 0.00 0.00 179.97 181.85 3nwh h ASP 55 N -0.05 0.52 -0.29 -3.80 3.32 0.09 -1.88 116.42 114.33 3nwh h ASP 55 Ca 0.33 -0.78 0.07 0.00 0.02 0.00 0.00 57.03 56.67 3nwh h ASP 55 Cb 0.58 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.91 3nwh h ASP 55 CO -0.83 1.24 -0.17 1.23 -1.72 0.00 0.00 179.24 179.00 3nwh h GLY 56 N -0.13 0.04 1.10 2.75 0.00 -0.27 -2.44 103.07 104.12 3nwh h GLY 56 Ca -0.08 0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 3nwh h GLY 56 CO 0.12 -0.17 0.17 -2.00 0.00 0.00 0.00 176.54 174.66 3nwh h LEU 57 N -0.13 1.05 -0.42 3.11 5.85 -0.06 -2.22 115.31 122.48 3nwh h LEU 57 Ca 0.15 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3nwh h LEU 57 Cb 0.37 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3nwh h LEU 57 CO -0.37 1.00 0.25 -0.09 -0.34 0.00 0.00 178.44 178.89 3nwh h ARG 58 N 1.05 0.48 -0.30 1.25 2.43 -1.22 -2.51 114.38 115.56 3nwh h ARG 58 Ca 0.22 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.43 3nwh h ARG 58 Cb 0.37 -0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.73 3nwh h ARG 58 CO 0.00 0.32 -0.22 0.00 -1.51 0.00 0.00 179.97 178.56 3nwh h ALA 59 N 1.19 -0.05 0.00 2.80 0.00 -0.97 0.83 119.26 123.06 3nwh h ALA 59 Ca 0.17 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3nwh h ALA 59 Cb 0.02 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3nwh h ALA 59 CO -0.08 -0.63 0.00 0.28 0.00 0.00 0.00 179.25 178.82 3nwh n VAL 60 N -5.37 0.00 0.00 0.00 0.31 -0.88 -1.49 118.33 110.90 3nwh n VAL 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3nwh n VAL 60 Cb 0.29 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 3nwh n VAL 60 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3nwh n GLU 62 N 0.33 0.00 0.01 5.55 4.07 0.28 -0.91 120.64 129.97 3nwh n GLU 62 Ca 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 3nwh n GLU 62 Cb 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.29 3nwh n GLU 62 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3nwh h ARG 64 N -0.56 -0.15 -0.54 0.00 2.43 -1.30 0.12 114.38 114.38 3nwh h ARG 64 Ca -0.01 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 3nwh h ARG 64 Cb 0.50 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.98 3nwh h ARG 64 CO 0.01 -0.10 -0.45 -0.97 -1.51 0.00 0.00 179.97 176.95 3nwh h ASN 65 N -0.15 -1.55 0.40 -3.80 -1.24 -1.80 -1.88 115.58 105.55 3nwh h ASN 65 Ca 0.24 0.24 -0.04 0.00 0.71 0.00 0.00 56.30 57.45 3nwh h ASN 65 Cb 0.56 0.69 -0.01 0.00 0.73 0.00 0.00 38.32 40.29 3nwh h ASN 65 CO -0.71 -0.35 -0.18 0.58 -1.29 0.00 0.00 177.43 175.49 3nwh h VAL 66 N -0.26 0.74 0.00 2.57 2.07 -0.45 -2.38 116.25 118.54 3nwh h VAL 66 Ca 0.16 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 3nwh h VAL 66 Cb 0.57 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3nwh h VAL 66 CO -0.67 0.17 -0.30 0.71 0.02 0.00 0.00 177.57 177.51 3nwh h THR 67 N 0.00 0.75 -0.30 2.57 1.35 0.05 -2.44 112.91 114.90 3nwh h THR 67 Ca -0.00 -1.28 -0.16 0.00 -0.55 0.00 0.00 66.41 64.42 3nwh h THR 67 Cb 0.43 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3nwh h THR 67 CO 0.02 0.29 -0.46 0.45 -0.25 0.00 0.00 175.52 175.58 3nwh h HIS 68 N 0.00 0.95 -0.69 4.73 3.86 -1.15 -1.96 115.15 120.88 3nwh h HIS 68 Ca -0.00 -0.30 -0.02 0.00 -1.16 0.00 0.00 60.37 58.88 3nwh h HIS 68 Cb 0.78 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 29.03 3nwh h HIS 68 CO 0.00 1.09 0.36 1.25 0.86 0.00 0.00 177.93 181.48 3nwh h LEU 69 N 0.62 0.89 0.17 2.43 5.85 -1.41 -2.16 115.31 121.70 3nwh h LEU 69 Ca 0.04 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3nwh h LEU 69 Cb 1.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3nwh h LEU 69 CO 0.10 0.75 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.66 3nwh h LEU 70 N 0.96 -0.62 -0.79 2.25 3.38 -1.13 -1.80 115.31 117.57 3nwh h LEU 70 Ca 0.24 0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.43 3nwh h LEU 70 Cb 0.08 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 3nwh h LEU 70 CO -0.03 -0.32 0.32 1.56 0.09 0.00 0.00 178.44 180.05 3nwh h GLN 71 N -0.45 0.42 0.10 1.13 1.08 -1.06 0.18 115.11 116.52 3nwh h GLN 71 Ca 0.01 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3nwh h GLN 71 Cb 0.44 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3nwh h GLN 71 CO -0.09 0.28 -0.05 1.96 -0.95 0.00 0.00 178.83 179.98 3nwh h GLN 72 N 0.44 -0.13 -0.59 1.46 4.20 -0.87 -2.20 115.11 117.41 3nwh h GLN 72 Ca 0.44 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.12 3nwh h GLN 72 Cb 0.71 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 3nwh h GLN 72 CO -0.43 -0.04 0.20 0.93 -0.67 0.00 0.00 178.83 178.81 3nwh h GLU 73 N -0.19 0.91 -0.78 1.46 4.39 -0.51 -0.86 114.58 119.00 3nwh h GLU 73 Ca -0.01 -0.19 0.18 0.00 0.34 0.00 0.00 59.36 59.68 3nwh h GLU 73 Cb 0.15 -0.13 -0.13 0.00 -0.10 0.00 0.00 28.75 28.53 3nwh h GLU 73 CO 0.02 0.81 0.07 -0.07 -1.16 0.00 0.00 179.01 178.68 3nwh h LEU 74 N 0.83 -0.25 -0.57 1.33 3.38 -0.55 0.47 115.31 119.96 3nwh h LEU 74 Ca 0.19 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.36 3nwh h LEU 74 Cb 0.27 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3nwh h LEU 74 CO -0.01 -0.16 0.37 0.74 0.09 0.00 0.00 178.44 179.47 3nwh h THR 75 N 0.14 1.14 -0.66 0.22 2.02 -0.54 0.14 112.91 115.38 3nwh h THR 75 Ca 0.44 -0.26 0.05 0.00 0.77 0.00 0.00 66.41 67.42 3nwh h THR 75 Cb 0.81 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 3nwh h THR 75 CO -0.65 0.14 0.37 -0.33 0.37 0.00 0.00 175.52 175.42 3nwh h GLU 76 N 0.76 0.67 -0.11 6.66 4.39 -0.27 -0.01 114.58 126.67 3nwh h GLU 76 Ca 0.21 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.90 3nwh h GLU 76 Cb -0.08 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.38 3nwh h GLU 76 CO -0.05 0.44 -0.10 0.00 -1.16 0.00 0.00 179.01 178.14 3nwh h ALA 77 N 1.33 -0.01 -0.53 3.43 0.00 -0.16 0.10 119.26 123.43 3nwh h ALA 77 Ca 0.29 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.35 3nwh h ALA 77 Cb 0.16 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 3nwh h ALA 77 CO -0.17 -0.56 -0.05 0.37 0.00 0.00 0.00 179.25 178.84 3nwh h GLN 78 N -0.12 0.07 -0.64 0.00 4.15 -0.30 0.45 115.11 118.72 3nwh h GLN 78 Ca 0.08 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.54 3nwh h GLN 78 Cb 0.23 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 3nwh h GLN 78 CO -0.19 0.04 0.37 0.87 -1.93 0.00 0.00 178.83 178.00 3nwh h LYS 79 N 0.07 0.68 -0.51 1.69 1.57 -0.51 -1.15 116.57 118.42 3nwh h LYS 79 Ca 0.27 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.07 3nwh h LYS 79 Cb 0.41 -0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.47 3nwh h LYS 79 CO -0.49 0.45 -0.50 0.78 -0.57 0.00 0.00 179.45 179.12 3nwh h GLY 80 N 0.71 -0.76 2.00 3.86 0.00 0.13 -0.63 103.07 108.37 3nwh h GLY 80 Ca 0.27 0.65 -0.10 0.00 0.00 0.00 0.00 47.33 48.16 3nwh h GLY 80 CO -0.15 -0.13 -0.47 0.74 0.00 0.00 0.00 176.54 176.54 3nwh h PHE 81 N -0.31 0.00 -0.27 5.60 0.04 -0.61 -2.75 116.94 118.65 3nwh h PHE 81 Ca 0.12 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.71 3nwh h PHE 81 Cb 0.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.72 3nwh h PHE 81 CO -0.73 0.47 -0.57 1.96 -0.60 0.00 0.00 178.31 178.84 3nwh h GLN 82 N 0.00 0.84 -0.49 1.51 4.20 -0.41 -0.75 115.11 120.01 3nwh h GLN 82 Ca -0.00 -0.54 0.06 0.00 0.06 0.00 0.00 58.65 58.23 3nwh h GLN 82 Cb 0.89 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.69 3nwh h GLN 82 CO 0.06 1.17 0.18 -0.44 -0.67 0.00 0.00 178.83 179.13 3nwh h ASP 83 N 0.64 0.18 -0.39 1.46 5.19 -1.03 -1.54 116.42 120.93 3nwh h ASP 83 Ca 0.01 0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 56.39 3nwh h ASP 83 Cb 1.17 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 3nwh h ASP 83 CO 0.12 0.13 -0.07 0.58 -3.12 0.00 0.00 179.24 176.88 3nwh h VAL 84 N 0.35 1.27 -0.49 -1.35 2.07 -1.23 -1.88 116.25 115.00 3nwh h VAL 84 Ca 0.23 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.66 3nwh h VAL 84 Cb 0.24 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3nwh h VAL 84 CO -0.23 0.38 0.21 -0.08 0.02 0.00 0.00 177.57 177.87 3nwh h GLU 85 N 0.55 0.41 0.13 1.57 4.81 -0.88 -0.16 114.58 121.00 3nwh h GLU 85 Ca 0.10 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3nwh h GLU 85 Cb 0.59 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 3nwh h GLU 85 CO 0.03 0.27 -0.38 0.00 -0.73 0.00 0.00 179.01 178.20 3nwh h ALA 86 N 1.30 -0.90 -1.00 2.92 0.00 -0.83 0.17 119.26 120.91 3nwh h ALA 86 Ca 0.23 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.33 3nwh h ALA 86 Cb 0.19 0.75 -0.14 0.00 0.00 0.00 0.00 17.79 18.60 3nwh h ALA 86 CO -0.20 -0.99 0.58 1.96 0.00 0.00 0.00 179.25 180.61 3nwh h GLN 87 N -0.57 0.45 -0.36 0.00 4.20 -1.04 0.91 115.11 118.70 3nwh h GLN 87 Ca -0.01 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 3nwh h GLN 87 Cb 0.56 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3nwh h GLN 87 CO -0.19 0.30 -0.35 0.00 -0.67 0.00 0.00 178.83 177.92 3nwh h ALA 88 N 1.79 0.53 -0.25 3.87 0.00 -0.48 -1.19 119.26 123.52 3nwh h ALA 88 Ca 0.69 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3nwh h ALA 88 Cb 1.43 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 3nwh h ALA 88 CO -0.54 0.60 -0.17 0.00 0.00 0.00 0.00 179.25 179.14 3nwh h ALA 89 N 0.75 0.00 0.09 0.00 0.00 0.12 0.22 119.26 120.44 3nwh h ALA 89 Ca 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3nwh h ALA 89 Cb 0.94 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3nwh h ALA 89 CO 0.09 -0.59 -0.07 1.15 0.00 0.00 0.00 179.25 179.83 3nwh h THR 90 N -0.16 0.00 -1.01 0.00 2.02 -1.06 -0.58 112.91 112.13 3nwh h THR 90 Ca 0.14 0.00 0.42 0.00 0.77 0.00 0.00 66.41 67.74 3nwh h THR 90 Cb 0.37 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.60 3nwh h THR 90 CO -0.35 0.00 0.55 0.00 0.37 0.00 0.00 175.52 176.09 3nwh h ASN 92 N 0.00 0.00 0.00 0.00 -1.24 0.01 -1.68 115.58 112.68 3nwh h ASN 92 Ca 0.85 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.86 3nwh h ASN 92 Cb 2.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.31 3nwh h ASN 92 CO -0.76 0.40 -0.00 1.12 -1.29 0.00 0.00 177.43 176.90 3nwh h HIS 93 N 0.00 -0.00 -0.88 0.67 2.07 0.25 -3.30 115.15 113.96 3nwh h HIS 93 Ca -0.00 -0.00 0.23 0.00 -2.85 0.00 0.00 60.37 57.75 3nwh h HIS 93 Cb 0.77 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 30.61 3nwh h HIS 93 CO 0.00 0.89 0.25 1.15 -3.07 0.00 0.00 177.93 177.15 3nwh h THR 94 N -0.92 0.33 0.00 6.12 2.02 -0.92 -1.87 112.91 117.67 3nwh h THR 94 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3nwh h THR 94 Cb 0.90 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3nwh h THR 94 CO 0.00 0.04 0.00 0.52 0.37 0.00 0.00 175.52 176.45 3nwh n VAL 95 N -5.21 0.00 0.00 3.16 0.31 -0.64 -2.66 118.33 113.29 3nwh n VAL 95 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 3nwh n VAL 95 Cb 0.68 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 3nwh n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3nwh n ALA 97 N 0.50 0.00 0.00 3.52 0.00 -0.71 -4.69 120.51 119.13 3nwh n ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3nwh n ALA 97 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3nwh n ALA 97 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3nwh n LEU 98 N 0.00 0.00 0.00 0.00 4.77 -1.09 -1.39 117.00 119.29 3nwh n LEU 98 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3nwh n LEU 98 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3nwh n LEU 98 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 3nwh n ALA 100 N 1.65 0.00 0.02 -1.18 0.00 -1.26 -0.99 120.51 118.75 3nwh n ALA 100 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3nwh n ALA 100 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3nwh n ALA 100 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3nwh h SER 101 N 0.00 -0.73 -0.63 0.00 0.02 -1.64 0.94 113.55 111.51 3nwh h SER 101 Ca 0.00 0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 3nwh h SER 101 Cb 0.00 0.28 -0.08 0.00 0.14 0.00 0.00 62.40 62.74 3nwh h SER 101 CO 0.00 -0.23 -0.37 -0.11 -1.14 0.00 0.00 176.83 174.98 3nwh n LEU 102 N -3.79 -0.67 -0.00 5.07 7.94 -0.16 0.17 117.00 125.55 3nwh n LEU 102 Ca -0.03 1.13 -0.10 0.00 -1.11 0.00 0.00 56.01 55.90 3nwh n LEU 102 Cb 0.17 -0.15 -0.05 0.00 0.53 0.00 0.00 43.42 43.93 3nwh n LEU 102 CO 0.05 -0.92 0.86 0.44 -1.11 0.00 0.00 177.39 176.71 3nwh h ASP 103 N 0.00 -0.06 -0.87 1.96 5.19 -1.69 0.12 116.42 121.07 3nwh h ASP 103 Ca 0.10 0.03 0.12 0.00 -0.62 0.00 0.00 57.03 56.66 3nwh h ASP 103 Cb 0.26 0.05 -0.08 0.00 0.18 0.00 0.00 39.33 39.74 3nwh h ASP 103 CO -0.60 -0.02 0.50 0.00 -3.12 0.00 0.00 179.24 176.00 3nwh h ALA 104 N 1.10 1.29 -0.16 3.45 0.00 0.52 -0.76 119.26 124.70 3nwh h ALA 104 Ca 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3nwh h ALA 104 Cb 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3nwh h ALA 104 CO -0.09 0.05 -0.06 1.49 0.00 0.00 0.00 179.25 180.64 3nwh h GLU 105 N 0.77 0.32 -1.00 0.00 4.57 0.24 -2.28 114.58 117.20 3nwh h GLU 105 Ca 0.45 -0.13 0.19 0.00 -1.18 0.00 0.00 59.36 58.68 3nwh h GLU 105 Cb 0.51 -0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.98 3nwh h GLU 105 CO -0.29 0.62 0.61 0.87 -1.18 0.00 0.00 179.01 179.64 3nwh h LYS 106 N 0.00 0.74 -0.07 1.92 1.57 -0.50 -1.13 116.57 119.10 3nwh h LYS 106 Ca 0.04 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 3nwh h LYS 106 Cb 0.52 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3nwh h LYS 106 CO 0.02 0.49 -0.46 0.00 -0.57 0.00 0.00 179.45 178.93 3nwh h ALA 107 N 1.64 1.10 0.06 3.86 0.00 -0.59 0.20 119.26 125.53 3nwh h ALA 107 Ca 0.57 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3nwh h ALA 107 Cb 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3nwh h ALA 107 CO -0.36 0.61 -0.03 1.96 0.00 0.00 0.00 179.25 181.43 3nwh h GLN 108 N 0.14 -0.08 -0.87 0.00 4.20 -1.15 -2.97 115.11 114.37 3nwh h GLN 108 Ca 0.01 0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.83 3nwh h GLN 108 Cb 0.87 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.54 3nwh h GLN 108 CO 0.07 0.07 -0.51 0.78 -0.67 0.00 0.00 178.83 178.57 3nwh h GLY 109 N -1.01 -0.55 -0.77 3.46 0.00 -1.22 0.78 103.07 103.76 3nwh h GLY 109 Ca -0.01 0.68 0.12 0.00 0.00 0.00 0.00 47.33 48.12 3nwh h GLY 109 CO 0.01 -0.07 -0.43 -1.61 0.00 0.00 0.00 176.54 174.44 3nwh h GLN 110 N -0.08 -0.09 0.28 4.80 4.15 -0.75 -2.07 115.11 121.36 3nwh h GLN 110 Ca 0.20 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.62 3nwh h GLN 110 Cb 0.50 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.22 3nwh h GLN 110 CO -0.88 -0.06 -0.14 -0.22 -1.93 0.00 0.00 178.83 175.61 3nwh h LYS 111 N -0.09 -0.37 -0.12 1.69 3.64 -0.12 -2.47 116.57 118.74 3nwh h LYS 111 Ca 0.25 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.69 3nwh h LYS 111 Cb 0.55 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 3nwh h LYS 111 CO -0.85 -0.02 -0.53 0.87 -2.27 0.00 0.00 179.45 176.64 3nwh h LYS 112 N -0.90 -0.56 -0.87 1.90 6.56 0.47 -0.08 116.57 123.09 3nwh h LYS 112 Ca -0.04 0.04 0.22 0.00 -1.06 0.00 0.00 60.65 59.81 3nwh h LYS 112 Cb 0.51 0.13 -0.15 0.00 -0.57 0.00 0.00 32.23 32.15 3nwh h LYS 112 CO 0.06 -0.37 0.09 0.28 -2.06 0.00 0.00 179.45 177.44 3nwh h VAL 113 N -0.58 0.23 0.08 0.50 2.07 -1.45 -1.03 116.25 116.06 3nwh h VAL 113 Ca 0.04 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3nwh h VAL 113 Cb 0.68 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3nwh h VAL 113 CO -0.43 0.02 -0.04 -0.08 0.02 0.00 0.00 177.57 177.06 3nwh h GLU 114 N 0.11 -0.10 0.00 1.57 4.81 -0.59 -0.06 114.58 120.32 3nwh h GLU 114 Ca 0.51 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 3nwh h GLU 114 Cb 1.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3nwh h GLU 114 CO -0.74 -0.03 0.00 -1.91 -0.73 0.00 0.00 179.01 175.60 3nwh n GLU 115 N -5.12 0.00 -0.25 1.92 2.13 -0.25 -1.52 120.64 117.55 3nwh n GLU 115 Ca -0.08 0.87 0.02 0.00 0.66 0.00 0.00 57.16 58.63 3nwh n GLU 115 Cb 0.09 -1.32 0.24 0.00 0.27 0.00 0.00 31.44 30.72 3nwh n GLU 115 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3nwh h LEU 116 N 0.00 0.89 -2.20 4.31 3.38 -1.29 -0.25 115.31 120.14 3nwh h LEU 116 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3nwh h LEU 116 Cb 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3nwh h LEU 116 CO 0.00 0.62 -0.06 -0.33 0.09 0.00 0.00 178.44 178.76 3nwh h GLU 117 N 1.03 0.00 0.06 1.13 5.08 -0.37 0.19 114.58 121.70 3nwh h GLU 117 Ca 0.32 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.50 3nwh h GLU 117 Cb -0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 3nwh h GLU 117 CO -0.09 0.06 -0.74 0.78 -1.00 0.00 0.00 179.01 178.02 3nwh h GLY 118 N 0.43 0.45 0.53 -3.84 0.00 0.00 -2.71 103.07 97.93 3nwh h GLY 118 Ca -0.00 -0.90 0.08 0.00 0.00 0.00 0.00 47.33 46.51 3nwh h GLY 118 CO 0.01 0.80 0.38 0.83 0.00 0.00 0.00 176.54 178.55 3nwh h GLU 119 N -0.15 0.64 -0.20 4.80 5.08 -0.20 -1.71 114.58 122.84 3nwh h GLU 119 Ca -0.11 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3nwh h GLU 119 Cb 1.49 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 3nwh h GLU 119 CO 0.14 0.42 -0.09 0.82 -1.00 0.00 0.00 179.01 179.30 3nwh h ILE 120 N 0.66 0.70 -0.74 3.13 5.03 -0.73 -2.53 117.51 123.03 3nwh h ILE 120 Ca 0.35 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 65.02 3nwh h ILE 120 Cb 0.32 0.70 -0.03 0.00 -3.03 0.00 0.00 36.82 34.78 3nwh h ILE 120 CO -0.24 0.00 0.22 0.74 -0.68 0.00 0.00 178.15 178.18 3nwh h THR 121 N -0.07 1.26 -0.10 -0.27 2.02 -0.99 -0.76 112.91 114.01 3nwh h THR 121 Ca 0.11 -0.94 -0.17 0.00 0.77 0.00 0.00 66.41 66.18 3nwh h THR 121 Cb 0.23 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3nwh h THR 121 CO -0.24 0.37 -0.68 0.71 0.37 0.00 0.00 175.52 176.05 3nwh h THR 122 N 1.11 1.37 -0.43 3.16 1.35 -1.33 -1.20 112.91 116.94 3nwh h THR 122 Ca 0.24 -2.04 -0.02 0.00 -0.55 0.00 0.00 66.41 64.03 3nwh h THR 122 Cb 0.33 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 3nwh h THR 122 CO -0.00 0.62 0.19 -0.07 -0.25 0.00 0.00 175.52 176.01 3nwh h LEU 123 N 0.30 0.58 -1.09 3.87 3.38 -1.34 -0.50 115.31 120.50 3nwh h LEU 123 Ca -0.02 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3nwh h LEU 123 Cb 1.24 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 3nwh h LEU 123 CO 0.12 0.56 0.62 0.78 0.09 0.00 0.00 178.44 180.60 3nwh h ASN 124 N 0.56 0.96 -0.09 -0.43 2.35 -0.32 0.51 115.58 119.11 3nwh h ASN 124 Ca 0.15 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 3nwh h ASN 124 Cb 0.15 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3nwh h ASN 124 CO -0.02 0.61 -0.31 0.45 -1.65 0.00 0.00 177.43 176.51 3nwh h HIS 125 N 1.09 0.50 -1.01 1.19 3.86 -1.11 -1.95 115.15 117.72 3nwh h HIS 125 Ca 0.41 -0.20 0.05 0.00 -1.16 0.00 0.00 60.37 59.47 3nwh h HIS 125 Cb 0.20 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.52 3nwh h HIS 125 CO -0.00 0.93 0.66 0.87 0.86 0.00 0.00 177.93 181.24 3nwh h LYS 126 N -0.08 1.20 -0.55 2.45 1.57 -0.61 0.85 116.57 121.41 3nwh h LYS 126 Ca -0.01 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3nwh h LYS 126 Cb 0.94 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 3nwh h LYS 126 CO 0.07 0.80 0.36 1.25 -0.57 0.00 0.00 179.45 181.36 3nwh h LEU 127 N 1.24 0.62 -0.29 2.94 5.85 0.17 -2.34 115.31 123.50 3nwh h LEU 127 Ca 0.42 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.11 3nwh h LEU 127 Cb 0.07 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3nwh h LEU 127 CO -0.14 0.45 0.12 1.56 -0.34 0.00 0.00 178.44 180.08 3nwh h GLN 128 N 0.74 0.43 -0.96 1.25 4.20 -0.48 -1.05 115.11 119.24 3nwh h GLN 128 Ca 0.20 -0.08 0.22 0.00 0.06 0.00 0.00 58.65 59.06 3nwh h GLN 128 Cb -0.07 -0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.56 3nwh h GLN 128 CO -0.05 0.45 0.63 -0.44 -0.67 0.00 0.00 178.83 178.74 3nwh h ASP 129 N 0.32 0.46 0.15 1.46 5.19 -0.55 0.51 116.42 123.94 3nwh h ASP 129 Ca 0.10 0.06 -0.30 0.00 -0.62 0.00 0.00 57.03 56.26 3nwh h ASP 129 Cb 0.18 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.67 3nwh h ASP 129 CO -0.01 0.15 -1.53 0.00 -3.12 0.00 0.00 179.24 174.73 3nwh h ALA 130 N 1.61 0.16 -0.35 3.45 0.00 -1.19 -0.98 119.26 121.96 3nwh h ALA 130 Ca 0.52 -1.10 0.08 0.00 0.00 0.00 0.00 54.91 54.42 3nwh h ALA 130 Cb 1.26 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 3nwh h ALA 130 CO -0.23 0.89 0.24 0.77 0.00 0.00 0.00 179.25 180.92 3nwh h SER 131 N -0.14 0.07 0.39 0.00 0.02 -0.70 -0.65 113.55 112.55 3nwh h SER 131 Ca -0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 3nwh h SER 131 Cb 1.90 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.42 3nwh h SER 131 CO 0.11 0.05 -0.19 0.00 -1.14 0.00 0.00 176.83 175.66 3nwh h ALA 132 N 1.82 -0.77 -0.91 3.77 0.00 0.12 -2.93 119.26 120.37 3nwh h ALA 132 Ca 0.16 -0.11 0.26 0.00 0.00 0.00 0.00 54.91 55.22 3nwh h ALA 132 Cb 0.54 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3nwh h ALA 132 CO -0.01 -0.73 0.69 1.49 0.00 0.00 0.00 179.25 180.68 3nwh h GLU 133 N -0.75 0.00 0.55 0.00 4.57 -0.92 0.69 114.58 118.72 3nwh h GLU 133 Ca -0.05 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 3nwh h GLU 133 Cb 0.40 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3nwh h GLU 133 CO 0.09 0.00 -0.26 0.28 -1.18 0.00 0.00 179.01 177.93 3nwh h VAL 134 N 0.00 0.33 -0.96 0.32 2.07 -1.12 -2.99 116.25 113.90 3nwh h VAL 134 Ca 0.43 -0.36 0.19 0.00 0.82 0.00 0.00 66.70 67.78 3nwh h VAL 134 Cb 1.80 0.44 -0.18 0.00 -1.52 0.00 0.00 31.29 31.83 3nwh h VAL 134 CO -0.00 0.04 -0.25 -0.62 0.02 0.00 0.00 177.57 176.76 3nwh n GLU 135 N -5.31 -0.10 -0.27 1.57 -0.58 0.17 0.86 120.64 116.98 3nwh n GLU 135 Ca -0.11 1.49 0.08 0.00 -0.42 0.00 0.00 57.16 58.20 3nwh n GLU 135 Cb 0.33 -2.22 0.21 0.00 -0.57 0.00 0.00 31.44 29.19 3nwh n GLU 135 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3nwh h ARG 136 N 0.00 0.21 0.16 3.49 2.43 -1.31 -2.40 114.38 116.96 3nwh h ARG 136 Ca 0.45 -0.01 -0.34 0.00 -0.81 0.00 0.00 59.98 59.26 3nwh h ARG 136 Cb 0.69 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3nwh h ARG 136 CO -0.98 0.14 -1.76 -0.07 -1.51 0.00 0.00 179.97 175.79 3nwh h LEU 137 N 0.22 0.53 -1.58 3.80 3.38 0.62 -1.85 115.31 120.43 3nwh h LEU 137 Ca 0.46 -0.93 0.18 0.00 0.09 0.00 0.00 57.88 57.68 3nwh h LEU 137 Cb 0.84 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 3nwh h LEU 137 CO -0.59 1.78 0.55 0.03 0.09 0.00 0.00 178.44 180.31 3nwh h ARG 138 N 0.03 0.37 0.33 1.13 3.08 -0.86 0.45 114.38 118.91 3nwh h ARG 138 Ca -0.36 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3nwh h ARG 138 Cb 2.03 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.00 3nwh h ARG 138 CO 0.14 0.24 -0.16 0.00 -1.07 0.00 0.00 179.97 179.12 3nwh h ARG 139 N 0.38 -0.43 -0.97 0.04 3.08 -1.29 -1.18 114.38 114.02 3nwh h ARG 139 Ca 0.42 0.03 0.29 0.00 0.07 0.00 0.00 59.98 60.79 3nwh h ARG 139 Cb 1.05 0.10 -0.17 0.00 0.08 0.00 0.00 29.97 31.02 3nwh h ARG 139 CO -0.14 -0.29 0.18 0.93 -1.07 0.00 0.00 179.97 179.59 3nwh h GLU 140 N -0.51 0.05 0.76 0.04 5.08 -1.04 -2.29 114.58 116.67 3nwh h GLU 140 Ca -0.05 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3nwh h GLU 140 Cb 0.34 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3nwh h GLU 140 CO 0.07 0.03 -0.40 -0.97 -1.00 0.00 0.00 179.01 176.75 3nwh h ASN 141 N 0.05 -0.96 -0.35 1.42 -0.73 0.23 -0.50 115.58 114.75 3nwh h ASN 141 Ca 0.64 0.04 0.04 0.00 1.87 0.00 0.00 56.30 58.89 3nwh h ASN 141 Cb 1.41 0.26 -0.04 0.00 0.27 0.00 0.00 38.32 40.22 3nwh h ASN 141 CO -0.83 -0.65 0.12 -0.61 -0.37 0.00 0.00 177.43 175.08 3nwh h GLN 142 N -1.06 0.25 0.24 6.67 4.15 -0.89 0.37 115.11 124.84 3nwh h GLN 142 Ca -0.10 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.30 3nwh h GLN 142 Cb 0.83 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 3nwh h GLN 142 CO 0.15 0.17 -0.45 0.28 -1.93 0.00 0.00 178.83 177.05 3nwh h VAL 143 N 0.26 0.00 -0.79 2.39 2.07 -1.37 -0.84 116.25 117.97 3nwh h VAL 143 Ca 0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.70 3nwh h VAL 143 Cb 0.14 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 3nwh h VAL 143 CO -0.17 0.00 0.52 -0.07 0.02 0.00 0.00 177.57 177.87 3nwh h LEU 144 N -0.74 0.86 -1.31 2.57 3.38 -0.73 -2.10 115.31 117.25 3nwh h LEU 144 Ca -0.03 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3nwh h LEU 144 Cb 0.70 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3nwh h LEU 144 CO -0.17 0.61 -0.32 0.77 0.09 0.00 0.00 178.44 179.41 3nwh h SER 145 N 1.01 0.00 0.00 -0.43 4.64 0.21 -2.29 113.55 116.69 3nwh h SER 145 Ca 0.30 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3nwh h SER 145 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3nwh h SER 145 CO -0.08 0.32 -0.00 0.58 -0.87 0.00 0.00 176.83 176.78 3nwh h VAL 146 N 0.00 1.50 -1.02 0.95 2.07 -0.50 -2.34 116.25 116.91 3nwh h VAL 146 Ca -0.00 -1.50 0.26 0.00 0.82 0.00 0.00 66.70 66.27 3nwh h VAL 146 Cb 0.66 2.52 -0.12 0.00 -1.52 0.00 0.00 31.29 32.83 3nwh h VAL 146 CO 0.04 0.39 0.63 0.03 0.02 0.00 0.00 177.57 178.68 3nwh h ARG 147 N -0.65 0.49 -0.24 1.57 3.08 -1.11 0.11 114.38 117.63 3nwh h ARG 147 Ca -0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3nwh h ARG 147 Cb 0.64 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3nwh h ARG 147 CO 0.00 0.32 -0.10 0.82 -1.07 0.00 0.00 179.97 179.94 3nwh h ILE 148 N 0.50 1.30 -0.19 2.04 2.04 -1.36 -2.73 117.51 119.10 3nwh h ILE 148 Ca 0.64 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 65.40 3nwh h ILE 148 Cb 1.37 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 38.93 3nwh h ILE 148 CO -0.42 0.36 -0.29 0.00 0.00 0.00 0.00 178.15 177.80 3nwh h ALA 149 N 0.73 -0.26 -0.59 1.87 0.00 -0.38 -2.83 119.26 117.80 3nwh h ALA 149 Ca 0.06 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.11 3nwh h ALA 149 Cb 0.59 0.57 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 3nwh h ALA 149 CO 0.03 -0.74 -0.39 -0.44 0.00 0.00 0.00 179.25 177.71 3nwh h ASP 150 N -0.33 -1.34 -0.01 0.00 3.32 -0.87 -3.51 116.42 113.67 3nwh h ASP 150 Ca 0.12 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3nwh h ASP 150 Cb 0.51 0.63 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3nwh h ASP 150 CO -0.38 -0.32 0.00 1.17 -1.72 0.00 0.00 179.24 177.99