#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nwh n ASN 49 N 0.00 0.00 0.00 0.00 3.02 -1.26 -3.57 115.26 113.45 3nwh n ASN 49 Ca 0.00 0.15 0.03 0.00 -0.03 0.00 0.00 54.58 54.73 3nwh n ASN 49 Cb 0.00 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.30 3nwh n ASN 49 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3nwh n SER 50 N -0.19 0.00 0.27 6.41 7.64 -1.26 -3.84 113.62 122.65 3nwh n SER 50 Ca 0.00 0.49 0.13 0.00 1.01 0.00 0.00 58.87 60.51 3nwh n SER 50 Cb 0.00 -0.49 0.82 0.00 -1.01 0.00 0.00 64.21 63.52 3nwh n SER 50 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3nwh h GLU 51 N 0.00 0.00 0.21 1.43 4.81 -1.99 0.15 114.58 119.18 3nwh h GLU 51 Ca 0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 3nwh h GLU 51 Cb 0.10 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.52 3nwh h GLU 51 CO 0.00 0.00 -1.25 0.00 -0.73 0.00 0.00 179.01 177.03 3nwh h ALA 52 N 1.96 -0.13 -0.96 2.92 0.00 -1.76 -2.38 119.26 118.91 3nwh h ALA 52 Ca 0.02 -0.80 0.01 0.00 0.00 0.00 0.00 54.91 54.14 3nwh h ALA 52 Cb 0.09 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3nwh h ALA 52 CO -0.00 0.59 0.64 0.00 0.00 0.00 0.00 179.25 180.47 3nwh h ARG 54 N 1.29 -1.03 -0.90 0.00 9.65 -1.06 0.72 114.38 123.06 3nwh h ARG 54 Ca 0.36 0.07 0.05 0.00 -1.10 0.00 0.00 59.98 59.36 3nwh h ARG 54 Cb -0.13 0.23 -0.06 0.00 -1.39 0.00 0.00 29.97 28.63 3nwh h ARG 54 CO -0.08 -0.67 0.58 -0.44 2.80 0.00 0.00 179.97 182.15 3nwh h ASP 55 N -1.19 0.93 -0.93 -3.80 5.19 -1.46 0.36 116.42 115.52 3nwh h ASP 55 Ca -0.11 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.37 3nwh h ASP 55 Cb 0.83 -0.20 -0.07 0.00 0.18 0.00 0.00 39.33 40.08 3nwh h ASP 55 CO 0.18 0.62 0.59 1.23 -3.12 0.00 0.00 179.24 178.74 3nwh h GLY 56 N 1.08 1.42 1.19 2.75 0.00 -1.39 -1.93 103.07 106.20 3nwh h GLY 56 Ca 0.38 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 3nwh h GLY 56 CO -0.15 0.29 -0.39 1.41 0.00 0.00 0.00 176.54 177.70 3nwh h LEU 57 N 1.06 0.94 -0.29 3.11 3.38 0.21 -2.75 115.31 120.97 3nwh h LEU 57 Ca 0.41 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3nwh h LEU 57 Cb 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3nwh h LEU 57 CO -0.18 1.21 0.04 0.03 0.09 0.00 0.00 178.44 179.63 3nwh h ARG 58 N 0.72 0.48 -1.00 1.13 3.08 -0.76 -1.90 114.38 116.13 3nwh h ARG 58 Ca 0.06 -0.13 0.14 0.00 0.07 0.00 0.00 59.98 60.12 3nwh h ARG 58 Cb 0.97 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.87 3nwh h ARG 58 CO 0.09 0.59 0.62 0.00 -1.07 0.00 0.00 179.97 180.21 3nwh h ALA 59 N 0.87 1.56 0.00 0.04 0.00 -1.36 0.14 119.26 120.51 3nwh h ALA 59 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3nwh h ALA 59 Cb 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3nwh h ALA 59 CO 0.01 0.13 0.00 0.28 0.00 0.00 0.00 179.25 179.67 3nwh n VAL 60 N -4.67 0.09 0.00 0.00 0.31 -0.71 -1.12 118.33 112.22 3nwh n VAL 60 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 3nwh n VAL 60 Cb 0.42 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 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 0.40 0.00 -0.24 5.55 4.07 0.50 -1.90 120.64 129.03 3nwh n GLU 62 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 3nwh n GLU 62 Cb 0.12 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.55 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 0.91 0.82 -0.54 0.00 2.43 -1.65 0.49 114.38 116.85 3nwh h ARG 64 Ca 0.24 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 3nwh h ARG 64 Cb -0.04 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 3nwh h ARG 64 CO -0.05 0.65 0.01 -0.91 -1.51 0.00 0.00 179.97 178.16 3nwh h ASN 65 N 0.78 0.93 -0.48 -3.80 2.35 -1.73 -2.36 115.58 111.27 3nwh h ASN 65 Ca 0.20 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3nwh h ASN 65 Cb 0.09 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3nwh h ASN 65 CO -0.03 1.00 0.24 0.58 -1.65 0.00 0.00 177.43 177.58 3nwh h VAL 66 N 0.83 1.18 -0.06 2.81 2.07 -0.71 -2.76 116.25 119.61 3nwh h VAL 66 Ca 0.15 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 3nwh h VAL 66 Cb 0.52 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3nwh h VAL 66 CO 0.03 0.20 -0.37 0.71 0.02 0.00 0.00 177.57 178.16 3nwh h THR 67 N 0.63 1.28 -0.71 2.57 1.35 -0.67 -1.31 112.91 116.04 3nwh h THR 67 Ca 0.17 -1.34 0.10 0.00 -0.55 0.00 0.00 66.41 64.79 3nwh h THR 67 Cb 0.09 1.65 -0.08 0.00 -1.73 0.00 0.00 68.15 68.08 3nwh h THR 67 CO -0.02 0.39 0.33 0.45 -0.25 0.00 0.00 175.52 176.43 3nwh h HIS 68 N 0.11 0.59 -0.85 4.73 -0.00 -1.24 -1.25 115.15 117.25 3nwh h HIS 68 Ca 0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.39 3nwh h HIS 68 Cb 0.70 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.91 3nwh h HIS 68 CO 0.01 0.18 0.46 1.25 -0.00 0.00 0.00 177.93 179.83 3nwh h LEU 69 N 0.55 1.06 0.24 2.43 5.85 -0.99 -0.89 115.31 123.57 3nwh h LEU 69 Ca 0.36 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3nwh h LEU 69 Cb 0.43 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3nwh h LEU 69 CO -0.30 0.85 -0.39 0.25 -0.34 0.00 0.00 178.44 178.51 3nwh h LEU 70 N 1.18 -1.12 -0.90 2.25 5.85 -0.90 -0.05 115.31 121.62 3nwh h LEU 70 Ca 0.30 0.11 0.22 0.00 0.84 0.00 0.00 57.88 59.35 3nwh h LEU 70 Cb 0.03 0.40 -0.12 0.00 0.37 0.00 0.00 40.66 41.34 3nwh h LEU 70 CO -0.05 -0.50 0.40 1.56 -0.34 0.00 0.00 178.44 179.51 3nwh h GLN 71 N -0.71 0.40 -0.17 1.25 1.08 -0.42 0.37 115.11 116.90 3nwh h GLN 71 Ca -0.00 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3nwh h GLN 71 Cb 0.68 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 3nwh h GLN 71 CO -0.16 0.26 0.07 1.96 -0.95 0.00 0.00 178.83 180.02 3nwh h GLN 72 N 0.41 0.26 -0.06 1.46 4.20 -0.63 -1.84 115.11 118.92 3nwh h GLN 72 Ca 0.56 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 59.11 3nwh h GLN 72 Cb 1.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 3nwh h GLN 72 CO -0.52 0.33 -0.48 0.93 -0.67 0.00 0.00 178.83 178.41 3nwh h GLU 73 N 0.13 0.14 -0.57 1.46 4.39 0.11 -1.92 114.58 118.31 3nwh h GLU 73 Ca 0.06 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 3nwh h GLU 73 Cb 0.16 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3nwh h GLU 73 CO -0.01 0.59 0.08 -0.07 -1.16 0.00 0.00 179.01 178.44 3nwh h LEU 74 N 0.11 0.89 -0.54 1.33 3.38 -0.30 -0.13 115.31 120.05 3nwh h LEU 74 Ca 0.00 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3nwh h LEU 74 Cb 0.89 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3nwh h LEU 74 CO 0.07 0.91 0.31 0.74 0.09 0.00 0.00 178.44 180.56 3nwh h THR 75 N 0.88 1.02 -0.37 0.22 2.02 -0.66 0.96 112.91 116.99 3nwh h THR 75 Ca 0.18 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 3nwh h THR 75 Cb 0.41 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3nwh h THR 75 CO 0.01 0.11 0.21 -0.08 0.37 0.00 0.00 175.52 176.14 3nwh h GLU 76 N 0.61 0.51 -0.84 6.66 4.57 -1.00 -0.80 114.58 124.29 3nwh h GLU 76 Ca 0.23 -0.05 0.16 0.00 -1.18 0.00 0.00 59.36 58.51 3nwh h GLU 76 Cb 0.06 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.49 3nwh h GLU 76 CO -0.12 0.40 0.55 0.00 -1.18 0.00 0.00 179.01 178.67 3nwh h ALA 77 N 1.08 2.02 -0.26 2.92 0.00 -0.46 0.10 119.26 124.66 3nwh h ALA 77 Ca 0.13 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 3nwh h ALA 77 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3nwh h ALA 77 CO -0.02 -0.26 -0.59 0.37 0.00 0.00 0.00 179.25 178.74 3nwh h GLN 78 N 0.53 0.86 0.32 0.00 4.15 -0.23 -2.63 115.11 118.11 3nwh h GLN 78 Ca 0.43 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 59.27 3nwh h GLN 78 Cb 0.87 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 3nwh h GLN 78 CO -0.17 1.21 -0.40 -0.22 -1.93 0.00 0.00 178.83 177.32 3nwh h LYS 79 N 0.64 -0.74 -0.59 1.69 3.64 -0.23 -2.39 116.57 118.59 3nwh h LYS 79 Ca -0.00 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3nwh h LYS 79 Cb 1.21 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 33.12 3nwh h LYS 79 CO 0.13 -0.49 -0.33 0.41 -2.27 0.00 0.00 179.45 176.89 3nwh n GLY 80 N -1.49 -1.49 0.22 5.01 0.00 0.27 -0.92 105.19 106.79 3nwh n GLY 80 Ca -0.09 0.70 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 3nwh n GLY 80 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3nwh h PHE 81 N 0.00 0.86 0.04 1.61 0.04 -1.12 -1.47 116.94 116.91 3nwh h PHE 81 Ca 0.11 -0.31 0.02 0.00 2.80 0.00 0.00 57.97 60.59 3nwh h PHE 81 Cb 0.26 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 3nwh h PHE 81 CO -0.60 1.09 -0.21 1.96 -0.60 0.00 0.00 178.31 179.95 3nwh h GLN 82 N 0.52 -0.35 -0.69 1.51 4.20 -0.83 -2.55 115.11 116.92 3nwh h GLN 82 Ca 0.01 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 3nwh h GLN 82 Cb 1.14 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 3nwh h GLN 82 CO 0.11 -0.23 0.21 -0.44 -0.67 0.00 0.00 178.83 177.81 3nwh h ASP 83 N -0.36 0.99 -0.51 1.46 5.19 -0.69 -2.30 116.42 120.20 3nwh h ASP 83 Ca 0.05 -0.18 0.03 0.00 -0.62 0.00 0.00 57.03 56.31 3nwh h ASP 83 Cb 0.42 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.63 3nwh h ASP 83 CO -0.16 0.93 0.29 0.58 -3.12 0.00 0.00 179.24 177.75 3nwh h VAL 84 N 1.02 1.01 -0.80 -1.35 2.07 -1.06 0.12 116.25 117.25 3nwh h VAL 84 Ca 0.22 -0.19 0.14 0.00 0.82 0.00 0.00 66.70 67.70 3nwh h VAL 84 Cb 0.29 0.40 -0.09 0.00 -1.52 0.00 0.00 31.29 30.36 3nwh h VAL 84 CO -0.01 0.10 0.37 -0.08 0.02 0.00 0.00 177.57 177.98 3nwh h GLU 85 N 0.56 0.52 0.55 1.57 4.81 -1.18 0.14 114.58 121.56 3nwh h GLU 85 Ca 0.22 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3nwh h GLU 85 Cb 0.08 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3nwh h GLU 85 CO -0.12 0.34 -0.49 0.00 -0.73 0.00 0.00 179.01 178.01 3nwh h ALA 86 N 1.55 -1.17 -0.98 2.92 0.00 -0.32 -2.14 119.26 119.12 3nwh h ALA 86 Ca 0.44 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.27 3nwh h ALA 86 Cb 0.65 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 3nwh h ALA 86 CO -0.38 -1.18 0.62 1.96 0.00 0.00 0.00 179.25 180.27 3nwh h GLN 87 N -1.02 0.93 -0.64 0.00 4.20 -0.39 -1.11 115.11 117.08 3nwh h GLN 87 Ca -0.07 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3nwh h GLN 87 Cb 0.87 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 3nwh h GLN 87 CO -0.02 0.61 0.39 0.00 -0.67 0.00 0.00 178.83 179.14 3nwh h ALA 88 N 1.55 0.82 0.10 3.87 0.00 -0.55 0.91 119.26 125.95 3nwh h ALA 88 Ca 0.48 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.34 3nwh h ALA 88 Cb 0.51 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3nwh h ALA 88 CO -0.25 0.29 -0.19 0.00 0.00 0.00 0.00 179.25 179.10 3nwh h ALA 89 N 1.20 -0.31 -0.50 0.00 0.00 -0.53 -0.33 119.26 118.79 3nwh h ALA 89 Ca 0.23 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.21 3nwh h ALA 89 Cb -0.04 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 3nwh h ALA 89 CO -0.04 -0.71 0.02 1.15 0.00 0.00 0.00 179.25 179.66 3nwh h THR 90 N -0.36 0.63 -0.64 0.00 2.02 -1.03 -2.13 112.91 111.39 3nwh h THR 90 Ca 0.03 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3nwh h THR 90 Cb 0.38 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 3nwh h THR 90 CO -0.11 0.03 0.24 0.00 0.37 0.00 0.00 175.52 176.05 3nwh h ASN 92 N 0.91 0.86 -0.13 0.00 -1.24 -0.63 0.84 115.58 116.20 3nwh h ASN 92 Ca 0.21 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 3nwh h ASN 92 Cb 0.23 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 3nwh h ASN 92 CO -0.01 0.72 0.03 0.45 -1.29 0.00 0.00 177.43 177.33 3nwh h HIS 93 N 0.96 0.21 -0.44 0.67 3.86 -1.04 -2.93 115.15 116.44 3nwh h HIS 93 Ca 0.24 -0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.51 3nwh h HIS 93 Cb 0.08 -0.06 -0.08 0.00 1.06 0.00 0.00 27.41 28.41 3nwh h HIS 93 CO 0.01 0.35 -0.05 1.15 0.86 0.00 0.00 177.93 180.25 3nwh h THR 94 N 0.00 0.62 0.00 2.45 2.02 -0.35 0.13 112.91 117.79 3nwh h THR 94 Ca 0.04 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3nwh h THR 94 Cb 0.25 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3nwh h THR 94 CO 0.00 0.01 0.00 0.52 0.37 0.00 0.00 175.52 176.42 3nwh n VAL 95 N -5.26 0.00 0.00 3.16 0.31 0.21 -0.65 118.33 116.10 3nwh n VAL 95 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3nwh n VAL 95 Cb 0.24 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 0.24 0.00 0.05 3.52 0.00 0.46 -4.66 120.51 120.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.06 0.00 0.00 4.77 0.18 -1.20 117.00 120.80 3nwh n LEU 98 Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3nwh n LEU 98 Cb 0.00 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3nwh n LEU 98 CO 0.00 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.07 3nwh n ALA 100 N 0.52 0.00 0.51 -1.18 0.00 -1.26 -1.43 120.51 117.67 3nwh n ALA 100 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3nwh n ALA 100 Cb 0.01 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.91 3nwh n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3nwh n SER 101 N 0.00 0.54 0.06 0.00 3.41 -0.34 -1.34 113.62 115.94 3nwh n SER 101 Ca 0.00 0.61 -0.11 0.00 -0.26 0.00 0.00 58.87 59.11 3nwh n SER 101 Cb 0.00 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 63.14 3nwh n SER 101 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3nwh h LEU 102 N 0.00 -0.19 -0.43 1.04 5.85 -1.50 -2.85 115.31 117.24 3nwh h LEU 102 Ca 0.00 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.46 3nwh h LEU 102 Cb 0.43 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.42 3nwh h LEU 102 CO 0.00 0.36 -0.24 0.44 -0.34 0.00 0.00 178.44 178.66 3nwh h ASP 103 N -0.84 -0.80 -0.19 1.25 3.32 -1.51 -0.54 116.42 117.10 3nwh h ASP 103 Ca -0.02 0.17 0.03 0.00 0.02 0.00 0.00 57.03 57.22 3nwh h ASP 103 Cb 0.53 0.41 -0.05 0.00 0.22 0.00 0.00 39.33 40.44 3nwh h ASP 103 CO 0.04 -0.26 -0.34 0.00 -1.72 0.00 0.00 179.24 176.96 3nwh h ALA 104 N 1.07 -0.63 -0.70 3.45 0.00 -1.33 -1.46 119.26 119.67 3nwh h ALA 104 Ca 0.20 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.23 3nwh h ALA 104 Cb 0.47 0.92 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 3nwh h ALA 104 CO -0.52 -0.78 -0.22 1.49 0.00 0.00 0.00 179.25 179.22 3nwh h GLU 105 N -0.28 -0.04 -0.64 0.00 4.57 -0.91 0.33 114.58 117.61 3nwh h GLU 105 Ca 0.04 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.33 3nwh h GLU 105 Cb 0.38 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.89 3nwh h GLU 105 CO -0.33 -0.03 0.19 0.87 -1.18 0.00 0.00 179.01 178.54 3nwh h LYS 106 N -0.04 0.33 0.22 1.92 1.57 -0.58 0.39 116.57 120.38 3nwh h LYS 106 Ca 0.32 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 3nwh h LYS 106 Cb 0.54 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3nwh h LYS 106 CO -0.73 0.22 -0.10 0.00 -0.57 0.00 0.00 179.45 178.26 3nwh h ALA 107 N 1.48 -0.29 -0.99 3.86 0.00 0.51 -0.93 119.26 122.90 3nwh h ALA 107 Ca 0.34 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.15 3nwh h ALA 107 Cb 0.48 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 3nwh h ALA 107 CO -0.38 -0.42 0.63 1.96 0.00 0.00 0.00 179.25 181.04 3nwh h GLN 108 N -0.79 0.97 0.26 0.00 1.08 -0.49 -1.47 115.11 114.67 3nwh h GLN 108 Ca -0.03 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 3nwh h GLN 108 Cb 0.51 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 3nwh h GLN 108 CO 0.05 0.64 -0.13 0.78 -0.95 0.00 0.00 178.83 179.22 3nwh h GLY 109 N 1.00 -0.37 1.86 3.46 0.00 -0.15 -2.32 103.07 106.54 3nwh h GLY 109 Ca 0.48 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.95 3nwh h GLY 109 CO -0.25 -0.13 0.00 0.61 0.00 0.00 0.00 176.54 176.77 3nwh n GLN 110 N -5.12 0.12 0.03 4.80 10.64 -0.36 -2.31 117.38 125.17 3nwh n GLN 110 Ca -0.09 0.07 -0.19 0.00 -1.83 0.00 0.00 57.00 54.96 3nwh n GLN 110 Cb 0.24 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.00 3nwh n GLN 110 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 3nwh h LYS 111 N 0.00 0.42 -0.13 2.61 3.64 -1.07 -3.06 116.57 118.98 3nwh h LYS 111 Ca 0.00 -0.51 -0.06 0.00 -1.27 0.00 0.00 60.65 58.81 3nwh h LYS 111 Cb 0.36 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3nwh h LYS 111 CO 0.00 1.18 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.98 3nwh h LYS 112 N -0.11 0.33 -0.75 1.90 3.64 -1.00 -2.53 116.57 118.05 3nwh h LYS 112 Ca -0.11 -0.18 0.14 0.00 -1.27 0.00 0.00 60.65 59.23 3nwh h LYS 112 Cb 1.47 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 33.17 3nwh h LYS 112 CO 0.14 0.74 -0.29 0.28 -2.27 0.00 0.00 179.45 178.05 3nwh h VAL 113 N -0.07 0.15 -0.27 2.00 2.07 -1.61 -0.80 116.25 117.73 3nwh h VAL 113 Ca 0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 3nwh h VAL 113 Cb 0.69 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3nwh h VAL 113 CO 0.04 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 177.13 3nwh h GLU 114 N -0.07 0.46 -0.24 1.57 5.08 -1.41 0.65 114.58 120.62 3nwh h GLU 114 Ca 0.31 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 3nwh h GLU 114 Cb 0.57 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3nwh h GLU 114 CO -0.79 0.62 -0.30 0.93 -1.00 0.00 0.00 179.01 178.47 3nwh h GLU 115 N 0.43 0.49 0.00 2.33 5.08 -0.92 -0.89 114.58 121.10 3nwh h GLU 115 Ca 0.07 -0.20 -0.23 0.00 -1.00 0.00 0.00 59.36 58.01 3nwh h GLU 115 Cb 0.54 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 3nwh h GLU 115 CO 0.03 0.74 -1.51 -0.07 -1.00 0.00 0.00 179.01 177.20 3nwh h LEU 116 N 0.43 0.00 -0.71 1.33 3.38 -0.49 -2.79 115.31 116.47 3nwh h LEU 116 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3nwh h LEU 116 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3nwh h LEU 116 CO 0.06 0.79 -0.49 -0.33 0.09 0.00 0.00 178.44 178.56 3nwh h GLU 117 N 0.00 0.39 0.46 1.13 5.08 0.31 -2.32 114.58 119.62 3nwh h GLU 117 Ca -0.21 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3nwh h GLU 117 Cb 1.79 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 3nwh h GLU 117 CO 0.06 0.79 -0.33 0.78 -1.00 0.00 0.00 179.01 179.32 3nwh h GLY 118 N 1.21 -0.84 2.00 -3.84 0.00 -1.23 -2.72 103.07 97.65 3nwh h GLY 118 Ca 0.02 0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.69 3nwh h GLY 118 CO 0.08 -0.31 -0.15 -2.09 0.00 0.00 0.00 176.54 174.07 3nwh h GLU 119 N -0.77 0.00 -0.44 4.80 4.81 -1.43 -0.55 114.58 120.99 3nwh h GLU 119 Ca -0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3nwh h GLU 119 Cb 0.65 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 3nwh h GLU 119 CO 0.02 0.15 0.22 0.82 -0.73 0.00 0.00 179.01 179.49 3nwh h ILE 120 N 0.00 1.17 0.02 2.32 2.04 -1.29 -2.31 117.51 119.46 3nwh h ILE 120 Ca -0.00 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3nwh h ILE 120 Cb 0.27 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 3nwh h ILE 120 CO 0.02 0.18 -0.50 0.74 0.00 0.00 0.00 178.15 178.60 3nwh h THR 121 N 0.57 0.05 -0.81 -0.27 2.02 -0.79 0.38 112.91 114.06 3nwh h THR 121 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 3nwh h THR 121 Cb 0.09 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.52 3nwh h THR 121 CO -0.02 0.00 0.43 0.71 0.37 0.00 0.00 175.52 177.01 3nwh h THR 122 N -0.66 1.24 -0.17 3.16 1.35 -1.48 -0.58 112.91 115.78 3nwh h THR 122 Ca 0.02 -0.62 -0.04 0.00 -0.55 0.00 0.00 66.41 65.23 3nwh h THR 122 Cb 0.71 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 3nwh h THR 122 CO -0.33 0.27 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.08 3nwh h LEU 123 N 1.12 0.24 -0.32 3.87 3.38 -0.86 -0.87 115.31 121.87 3nwh h LEU 123 Ca 0.28 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3nwh h LEU 123 Cb 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3nwh h LEU 123 CO -0.04 0.34 -0.05 0.78 0.09 0.00 0.00 178.44 179.56 3nwh h ASN 124 N 0.25 0.60 -0.33 -0.43 2.35 0.58 -2.13 115.58 116.47 3nwh h ASN 124 Ca 0.06 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.48 3nwh h ASN 124 Cb 0.27 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3nwh h ASN 124 CO 0.01 0.80 0.18 0.45 -1.65 0.00 0.00 177.43 177.22 3nwh h HIS 125 N 0.39 0.33 -0.19 1.19 3.86 -0.62 -0.05 115.15 120.06 3nwh h HIS 125 Ca 0.09 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3nwh h HIS 125 Cb 0.52 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 3nwh h HIS 125 CO 0.05 0.19 -0.02 0.87 0.86 0.00 0.00 177.93 179.87 3nwh h LYS 126 N 0.37 0.28 -0.00 2.45 1.57 -0.98 0.47 116.57 120.73 3nwh h LYS 126 Ca 0.13 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.68 3nwh h LYS 126 Cb 0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3nwh h LYS 126 CO -0.08 0.33 -0.83 1.25 -0.57 0.00 0.00 179.45 179.55 3nwh h LEU 127 N 0.28 0.15 -0.90 2.94 5.85 -0.73 -0.89 115.31 122.00 3nwh h LEU 127 Ca 0.06 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3nwh h LEU 127 Cb 0.23 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3nwh h LEU 127 CO 0.01 0.91 -0.27 1.56 -0.34 0.00 0.00 178.44 180.30 3nwh h GLN 128 N 0.07 0.49 0.02 1.25 4.20 0.54 0.32 115.11 121.99 3nwh h GLN 128 Ca -0.03 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 3nwh h GLN 128 Cb 1.44 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.20 3nwh h GLN 128 CO 0.12 0.72 -0.01 -0.44 -0.67 0.00 0.00 178.83 178.55 3nwh h ASP 129 N 0.43 -0.02 -0.66 1.46 3.32 -0.60 -1.19 116.42 119.16 3nwh h ASP 129 Ca 0.06 -0.58 0.06 0.00 0.02 0.00 0.00 57.03 56.59 3nwh h ASP 129 Cb 0.70 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.20 3nwh h ASP 129 CO 0.05 0.58 0.37 0.00 -1.72 0.00 0.00 179.24 178.52 3nwh h ALA 130 N 0.33 0.88 -0.18 3.45 0.00 -1.22 -1.97 119.26 120.56 3nwh h ALA 130 Ca -0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3nwh h ALA 130 Cb 0.60 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3nwh h ALA 130 CO 0.00 0.04 -0.32 0.77 0.00 0.00 0.00 179.25 179.75 3nwh h SER 131 N 0.68 0.37 -0.30 0.00 0.02 -0.88 -0.49 113.55 112.95 3nwh h SER 131 Ca 0.30 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3nwh h SER 131 Cb 0.18 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3nwh h SER 131 CO -0.18 0.68 0.05 0.00 -1.14 0.00 0.00 176.83 176.25 3nwh h ALA 132 N 1.34 0.40 -0.25 3.77 0.00 -1.05 -2.69 119.26 120.78 3nwh h ALA 132 Ca 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3nwh h ALA 132 Cb 0.73 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3nwh h ALA 132 CO 0.06 0.08 -0.04 1.49 0.00 0.00 0.00 179.25 180.84 3nwh h GLU 133 N 0.32 0.38 -0.43 0.00 4.57 -0.69 0.96 114.58 119.69 3nwh h GLU 133 Ca 0.09 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 3nwh h GLU 133 Cb 0.33 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 3nwh h GLU 133 CO 0.00 0.45 -0.08 0.28 -1.18 0.00 0.00 179.01 178.48 3nwh h VAL 134 N 0.37 1.25 0.00 0.32 2.07 -0.99 -1.58 116.25 117.68 3nwh h VAL 134 Ca 0.08 -1.10 -0.20 0.00 0.82 0.00 0.00 66.70 66.30 3nwh h VAL 134 Cb 0.32 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3nwh h VAL 134 CO 0.01 0.38 -0.96 -0.33 0.02 0.00 0.00 177.57 176.69 3nwh h GLU 135 N 0.68 0.00 0.71 1.57 5.08 -0.81 -1.49 114.58 120.32 3nwh h GLU 135 Ca 0.12 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3nwh h GLU 135 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 3nwh h GLU 135 CO 0.03 0.91 -0.34 -0.09 -1.00 0.00 0.00 179.01 178.52 3nwh h ARG 136 N 0.00 -0.92 0.00 2.33 2.43 -0.75 -2.38 114.38 115.09 3nwh h ARG 136 Ca -0.02 0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3nwh h ARG 136 Cb 1.73 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 31.48 3nwh h ARG 136 CO 0.12 -0.60 -0.21 -0.07 -1.51 0.00 0.00 179.97 177.70 3nwh h LEU 137 N -0.98 0.00 -0.24 3.80 3.38 -1.28 -1.39 115.31 118.60 3nwh h LEU 137 Ca -0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3nwh h LEU 137 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3nwh h LEU 137 CO 0.16 0.21 0.02 -0.09 0.09 0.00 0.00 178.44 178.83 3nwh h ARG 138 N 0.00 0.42 0.87 1.13 2.43 -1.18 -1.43 114.38 116.62 3nwh h ARG 138 Ca -0.00 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 3nwh h ARG 138 Cb 0.47 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3nwh h ARG 138 CO 0.03 0.57 -0.42 0.00 -1.51 0.00 0.00 179.97 178.64 3nwh h ARG 139 N 0.20 -1.13 -0.95 0.20 3.08 -0.86 -1.83 114.38 113.09 3nwh h ARG 139 Ca 0.07 0.08 0.26 0.00 0.07 0.00 0.00 59.98 60.46 3nwh h ARG 139 Cb 0.37 0.26 -0.14 0.00 0.08 0.00 0.00 29.97 30.54 3nwh h ARG 139 CO 0.01 -0.75 0.46 1.49 -1.07 0.00 0.00 179.97 180.11 3nwh h GLU 140 N -1.19 0.36 0.22 0.04 4.81 -1.33 0.23 114.58 117.71 3nwh h GLU 140 Ca -0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3nwh h GLU 140 Cb 0.90 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 3nwh h GLU 140 CO 0.20 0.24 -0.20 -0.97 -0.73 0.00 0.00 179.01 177.55 3nwh h ASN 141 N 0.37 -0.52 -0.62 1.04 -1.24 -0.98 -2.24 115.58 111.40 3nwh h ASN 141 Ca 0.64 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.67 3nwh h ASN 141 Cb 1.32 0.18 -0.03 0.00 0.73 0.00 0.00 38.32 40.52 3nwh h ASN 141 CO -0.57 -0.29 0.30 0.06 -1.29 0.00 0.00 177.43 175.63 3nwh h GLN 142 N -0.43 0.92 -0.06 6.67 3.07 0.28 -0.21 115.11 125.34 3nwh h GLN 142 Ca -0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 58.65 58.55 3nwh h GLN 142 Cb 0.40 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.78 3nwh h GLN 142 CO -0.03 0.72 -0.24 0.28 0.09 0.00 0.00 178.83 179.64 3nwh h VAL 143 N 0.91 1.20 0.19 1.86 2.07 -1.12 -1.27 116.25 120.10 3nwh h VAL 143 Ca 0.22 -0.95 -0.30 0.00 0.82 0.00 0.00 66.70 66.49 3nwh h VAL 143 Cb 0.11 1.43 0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3nwh h VAL 143 CO -0.03 0.28 -1.43 -0.07 0.02 0.00 0.00 177.57 176.34 3nwh h LEU 144 N 0.09 0.63 -0.61 2.57 3.38 -0.57 -2.79 115.31 118.01 3nwh h LEU 144 Ca 0.01 -0.92 0.12 0.00 0.09 0.00 0.00 57.88 57.18 3nwh h LEU 144 Cb 0.48 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 40.91 3nwh h LEU 144 CO 0.03 1.66 -0.21 0.28 0.09 0.00 0.00 178.44 180.29 3nwh h SER 145 N -0.04 -0.76 -0.24 -0.43 0.02 -0.94 -2.24 113.55 108.91 3nwh h SER 145 Ca -0.27 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3nwh h SER 145 Cb 1.98 0.45 -0.01 0.00 0.14 0.00 0.00 62.40 64.96 3nwh h SER 145 CO 0.19 -0.24 0.11 0.58 -1.14 0.00 0.00 176.83 176.32 3nwh h VAL 146 N -0.06 1.15 0.00 2.27 2.07 -1.27 -1.37 116.25 119.04 3nwh h VAL 146 Ca 0.28 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3nwh h VAL 146 Cb 0.50 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3nwh h VAL 146 CO -0.66 0.15 0.17 0.03 0.02 0.00 0.00 177.57 177.28 3nwh h ARG 147 N 0.25 0.00 0.10 1.57 3.08 -1.20 0.03 114.38 118.22 3nwh h ARG 147 Ca 0.08 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.80 3nwh h ARG 147 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3nwh h ARG 147 CO -0.01 0.00 -1.78 0.82 -1.07 0.00 0.00 179.97 177.93 3nwh h ILE 148 N 0.00 0.73 -0.39 2.04 2.04 -0.68 -3.27 117.51 117.98 3nwh h ILE 148 Ca 0.00 -2.32 0.01 0.00 1.00 0.00 0.00 64.86 63.55 3nwh h ILE 148 Cb 0.34 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 3nwh h ILE 148 CO 0.00 0.75 0.25 0.00 0.00 0.00 0.00 178.15 179.16 3nwh h ALA 149 N -0.06 0.49 0.00 1.87 0.00 -0.75 -2.82 119.26 117.99 3nwh h ALA 149 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3nwh h ALA 149 Cb 1.85 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3nwh h ALA 149 CO 0.02 -0.06 0.00 -0.25 0.00 0.00 0.00 179.25 178.97 3nwh n ASP 150 N -4.82 0.00 -0.04 0.00 9.92 -0.06 -3.50 116.55 118.05 3nwh n ASP 150 Ca 0.00 -1.33 -0.18 0.00 -0.53 0.00 0.00 54.79 52.75 3nwh n ASP 150 Cb 0.03 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.37 3nwh n ASP 150 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 3nwh h LYS 151 N 0.00 0.09 0.00 -1.24 3.64 -1.55 -3.50 116.57 114.02 3nwh h LYS 151 Ca 0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3nwh h LYS 151 Cb 0.00 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3nwh h LYS 151 CO 0.00 1.08 0.00 1.63 -2.27 0.00 0.00 179.45 179.89