#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 n THR 6 N 0.00 0.00 -0.01 3.45 -2.24 -1.26 -4.70 114.28 109.51 2wh1 n THR 6 Ca 0.00 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 2wh1 n THR 6 Cb 0.00 -0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 67.37 2wh1 n THR 6 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2wh1 h ILE 7 N -1.90 1.12 -0.03 2.28 1.08 -2.05 -1.51 117.51 116.50 2wh1 h ILE 7 Ca -0.47 -0.35 0.01 0.00 -0.39 0.00 0.00 64.86 63.66 2wh1 h ILE 7 Cb 1.29 1.17 -0.00 0.00 -3.07 0.00 0.00 36.82 36.21 2wh1 h ILE 7 CO 0.39 0.10 0.09 -1.13 -0.69 0.00 0.00 178.15 176.91 2wh1 h ASN 8 N 0.03 0.00 0.01 1.72 -1.24 -1.99 0.80 115.58 114.92 2wh1 h ASN 8 Ca 0.03 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 2wh1 h ASN 8 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 2wh1 h ASN 8 CO -0.00 0.00 -0.00 1.56 -1.29 0.00 0.00 177.43 177.69 2wh1 h GLN 9 N 0.00 -0.01 -0.03 6.67 4.20 -1.69 -2.38 115.11 121.87 2wh1 h GLN 9 Ca 0.01 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2wh1 h GLN 9 Cb 0.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 2wh1 h GLN 9 CO -0.00 0.77 0.34 -0.07 -0.67 0.00 0.00 178.83 179.20 2wh1 h LEU 10 N -0.85 0.00 0.01 1.46 3.38 0.07 1.39 115.31 120.77 2wh1 h LEU 10 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 2wh1 h LEU 10 Cb 0.79 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2wh1 h LEU 10 CO 0.00 0.00 -1.52 0.58 0.09 0.00 0.00 178.44 177.59 2wh1 h VAL 11 N 0.00 1.08 0.13 1.22 2.07 -1.11 -2.53 116.25 117.11 2wh1 h VAL 11 Ca 0.01 -2.89 -0.33 0.00 0.82 0.00 0.00 66.70 64.31 2wh1 h VAL 11 Cb 0.69 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 2wh1 h VAL 11 CO -0.00 0.64 -1.71 0.03 0.02 0.00 0.00 177.57 176.54 2wh1 h ARG 12 N 0.00 0.27 0.00 1.57 3.08 0.20 -3.42 114.38 116.09 2wh1 h ARG 12 Ca -0.21 -0.47 -0.01 0.00 0.07 0.00 0.00 59.98 59.36 2wh1 h ARG 12 Cb 1.95 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 32.17 2wh1 h ARG 12 CO 0.10 1.14 -1.12 1.63 -1.07 0.00 0.00 179.97 180.64 2wh1 n LYS 13 N -3.46 0.66 -0.81 0.04 5.02 0.22 -5.09 118.16 114.74 2wh1 n LYS 13 Ca -0.22 -0.02 0.11 0.00 -2.02 0.00 0.00 58.31 56.16 2wh1 n LYS 13 Cb 1.06 -1.06 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2wh1 n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh1 n GLY 14 N 2.44 -1.67 3.71 0.72 0.00 -0.95 -4.90 105.19 104.54 2wh1 n GLY 14 Ca -0.01 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 2wh1 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh1 s ARG 15 N -1.35 2.53 -0.22 1.61 1.81 -1.26 -4.91 118.95 117.17 2wh1 s ARG 15 Ca 0.00 -1.24 -0.10 0.00 -1.72 0.00 0.00 55.73 52.67 2wh1 s ARG 15 Cb 0.00 -2.33 -0.05 0.00 -0.45 0.00 0.00 34.95 32.12 2wh1 s ARG 15 CO 0.00 0.39 0.13 -2.00 -0.68 0.00 0.00 175.30 173.14 2wh1 s GLU 16 N -3.61 4.08 0.23 3.54 2.12 -1.26 -5.07 118.70 118.72 2wh1 s GLU 16 Ca 0.31 -0.27 -0.30 0.00 0.36 0.00 0.00 54.97 55.07 2wh1 s GLU 16 Cb -0.07 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 30.80 2wh1 s GLU 16 CO 0.21 0.17 1.21 0.15 -0.54 0.00 0.00 175.26 176.47 2wh1 s LYS 17 N 0.72 4.49 0.48 4.30 -0.14 -1.26 -5.00 119.74 123.33 2wh1 s LYS 17 Ca 0.07 1.94 -0.20 0.00 -1.36 0.00 0.00 55.97 56.41 2wh1 s LYS 17 Cb -0.12 -3.20 -0.09 0.00 -1.68 0.00 0.00 37.83 32.74 2wh1 s LYS 17 CO 0.01 -0.07 1.03 0.08 -0.76 0.00 0.00 175.35 175.65 2wh1 s VAL 18 N -0.40 3.81 0.02 3.17 1.01 -1.26 -5.06 120.40 121.70 2wh1 s VAL 18 Ca 0.51 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.70 2wh1 s VAL 18 Cb -0.34 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2wh1 s VAL 18 CO 0.40 -0.24 -0.21 -0.13 0.00 0.00 0.00 175.10 174.93 2wh1 s ARG 19 N -3.20 2.07 -0.25 2.72 0.52 -1.26 -5.11 118.95 114.43 2wh1 s ARG 19 Ca 0.67 -0.97 -0.18 0.00 -0.52 0.00 0.00 55.73 54.72 2wh1 s ARG 19 Cb -0.16 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.14 2wh1 s ARG 19 CO 0.20 0.55 0.54 0.15 0.02 0.00 0.00 175.30 176.76 2wh1 s LYS 20 N -1.20 4.09 -0.39 3.54 1.02 -1.26 -5.04 119.74 120.50 2wh1 s LYS 20 Ca 0.13 0.38 -0.25 0.00 0.02 0.00 0.00 55.97 56.25 2wh1 s LYS 20 Cb -0.10 -3.64 0.02 0.00 -0.52 0.00 0.00 37.83 33.58 2wh1 s LYS 20 CO 0.03 -0.35 0.88 0.21 -0.92 0.00 0.00 175.35 175.20 2wh1 s LYS 21 N 2.29 3.74 0.18 1.68 2.47 -1.26 -5.00 119.74 123.84 2wh1 s LYS 21 Ca 0.23 0.39 -0.31 0.00 -1.56 0.00 0.00 55.97 54.71 2wh1 s LYS 21 Cb -0.16 -3.83 -0.10 0.00 -1.46 0.00 0.00 37.83 32.28 2wh1 s LYS 21 CO 0.09 -0.98 1.52 0.45 0.16 0.00 0.00 175.35 176.59 2wh1 s SER 22 N 1.95 6.62 -0.06 1.43 0.15 -1.26 -4.89 113.70 117.65 2wh1 s SER 22 Ca 0.36 2.61 0.21 0.00 0.70 0.00 0.00 55.95 59.82 2wh1 s SER 22 Cb -0.12 -2.60 0.70 0.00 -1.71 0.00 0.00 66.02 62.29 2wh1 s SER 22 CO 0.20 -0.78 1.60 0.29 1.20 0.00 0.00 173.24 175.75 2wh1 n LYS 23 N 3.54 3.27 -3.28 5.44 5.02 -1.26 -4.75 118.16 126.14 2wh1 n LYS 23 Ca 0.12 -2.81 -0.07 0.00 -2.02 0.00 0.00 58.31 53.53 2wh1 n LYS 23 Cb 0.39 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 2wh1 n LYS 23 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wh1 s VAL 24 N -1.44 -0.68 -1.54 -0.18 1.01 -1.26 -4.97 120.40 111.35 2wh1 s VAL 24 Ca 0.51 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 2wh1 s VAL 24 Cb 0.30 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 2wh1 s VAL 24 CO 0.30 -0.27 2.60 -2.65 0.00 0.00 0.00 175.10 175.08 2wh1 n PRO 25 N 4.91 3.39 -0.05 2.72 -0.02 -1.26 -4.31 135.00 140.37 2wh1 n PRO 25 Ca 0.06 -2.46 0.09 0.00 -2.02 0.00 0.00 63.50 59.16 2wh1 n PRO 25 Cb 0.50 -3.00 0.38 0.00 -0.02 0.00 0.00 33.50 31.36 2wh1 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh1 n ALA 26 N 4.54 2.54 -1.36 3.55 0.00 -1.26 -4.98 120.51 123.55 2wh1 n ALA 26 Ca 0.66 -0.34 0.16 0.00 0.00 0.00 0.00 53.44 53.92 2wh1 n ALA 26 Cb 0.30 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 2wh1 n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wh1 n LEU 27 N -0.13 -0.92 -1.63 0.00 7.94 -1.26 -4.31 117.00 116.69 2wh1 n LEU 27 Ca 0.13 2.15 -0.01 0.00 -1.11 0.00 0.00 56.01 57.17 2wh1 n LEU 27 Cb 0.20 -3.05 -0.00 0.00 0.53 0.00 0.00 43.42 41.09 2wh1 n LEU 27 CO 0.10 -1.98 -0.01 0.29 -1.11 0.00 0.00 177.39 174.69 2wh1 n LYS 28 N -4.21 -1.81 -1.41 1.96 5.02 -1.26 0.19 118.16 116.64 2wh1 n LYS 28 Ca -0.08 0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.11 2wh1 n LYS 28 Cb 0.62 -4.26 -0.06 0.00 -0.02 0.00 0.00 35.03 31.31 2wh1 n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh1 n GLY 29 N -0.22 1.32 3.71 0.72 0.00 -1.26 -4.87 105.19 104.58 2wh1 n GLY 29 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2wh1 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh1 n ALA 30 N 0.57 1.36 -0.02 4.61 0.00 0.13 -4.89 120.51 122.26 2wh1 n ALA 30 Ca -0.14 0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 2wh1 n ALA 30 Cb 0.46 -2.28 0.04 0.00 0.00 0.00 0.00 19.45 17.67 2wh1 n ALA 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wh1 h PRO 31 N 2.13 0.65 -4.43 0.00 0.11 -1.89 -3.45 132.00 125.12 2wh1 h PRO 31 Ca -0.48 -0.39 -0.21 0.00 0.11 0.00 0.00 66.00 65.03 2wh1 h PRO 31 Cb 1.29 0.04 -0.18 0.00 0.11 0.00 0.00 31.00 32.26 2wh1 h PRO 31 CO 0.60 1.01 -0.71 -0.06 -0.21 0.00 0.00 178.00 178.63 2wh1 s PHE 32 N -4.10 0.64 -0.14 0.65 0.08 -1.26 -4.67 117.98 109.18 2wh1 s PHE 32 Ca -0.08 -0.75 -0.12 0.00 0.12 0.00 0.00 56.93 56.10 2wh1 s PHE 32 Cb 0.11 -0.40 0.04 0.00 -0.57 0.00 0.00 43.02 42.20 2wh1 s PHE 32 CO 0.85 -0.18 0.37 0.50 -0.10 0.00 0.00 175.22 176.66 2wh1 s ARG 33 N -2.74 0.41 0.25 0.44 6.06 -0.69 -4.98 118.95 117.70 2wh1 s ARG 33 Ca -0.01 0.56 0.09 0.00 -2.50 0.00 0.00 55.73 53.87 2wh1 s ARG 33 Cb -0.02 0.14 -0.04 0.00 0.06 0.00 0.00 34.95 35.10 2wh1 s ARG 33 CO -0.04 -0.08 0.04 -0.98 -2.50 0.00 0.00 175.30 171.74 2wh1 s ARG 34 N 0.49 2.44 0.14 5.12 1.70 -1.26 0.68 118.95 128.25 2wh1 s ARG 34 Ca -0.02 -1.31 -0.08 0.00 -0.47 0.00 0.00 55.73 53.85 2wh1 s ARG 34 Cb -0.04 -2.27 0.03 0.00 -0.57 0.00 0.00 34.95 32.10 2wh1 s ARG 34 CO -0.03 0.38 0.39 0.41 -1.08 0.00 0.00 175.30 175.38 2wh1 n GLY 35 N -0.87 1.33 3.67 3.88 0.00 -0.22 -1.45 105.19 111.53 2wh1 n GLY 35 Ca -0.07 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 2wh1 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh1 s VAL 36 N -2.50 3.95 0.68 1.61 1.01 -0.98 -0.92 120.40 123.26 2wh1 s VAL 36 Ca 0.08 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 2wh1 s VAL 36 Cb -0.02 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2wh1 s VAL 36 CO 0.04 0.21 1.06 0.00 0.00 0.00 0.00 175.10 176.41 2wh1 n THR 38 N -3.00 0.47 -4.20 0.00 -1.04 0.18 -4.42 114.28 102.27 2wh1 n THR 38 Ca 0.07 0.15 -0.18 0.00 -2.04 0.00 0.00 64.05 62.05 2wh1 n THR 38 Cb 0.55 -1.16 -0.12 0.00 -1.82 0.00 0.00 70.33 67.79 2wh1 n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wh1 s VAL 39 N -2.00 1.18 -0.54 12.58 1.01 -1.25 -4.75 120.40 126.64 2wh1 s VAL 39 Ca 0.00 -1.50 0.06 0.00 0.00 0.00 0.00 61.98 60.54 2wh1 s VAL 39 Cb 0.00 -1.28 0.21 0.00 0.00 0.00 0.00 36.38 35.31 2wh1 s VAL 39 CO 0.00 -0.33 0.54 0.52 0.00 0.00 0.00 175.10 175.83 2wh1 n VAL 40 N 0.92 0.57 -3.01 2.92 0.31 -1.26 -0.08 118.33 118.69 2wh1 n VAL 40 Ca -0.18 -4.41 -0.30 0.00 -0.01 0.00 0.00 64.34 59.43 2wh1 n VAL 40 Cb 0.56 -1.98 -0.04 0.00 -0.91 0.00 0.00 33.84 31.47 2wh1 n VAL 40 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2wh1 s ARG 41 N -1.32 3.78 -0.52 5.55 3.52 -1.10 -4.83 118.95 124.02 2wh1 s ARG 41 Ca 0.34 0.40 -0.15 0.00 -0.13 0.00 0.00 55.73 56.19 2wh1 s ARG 41 Cb 0.09 -2.46 0.12 0.00 -1.56 0.00 0.00 34.95 31.14 2wh1 s ARG 41 CO -0.12 0.05 0.46 -0.08 -0.81 0.00 0.00 175.30 174.81 2wh1 s THR 42 N -2.24 5.01 0.17 4.11 -1.32 -1.26 -0.42 115.64 119.69 2wh1 s THR 42 Ca 0.50 -1.52 -0.14 0.00 -1.21 0.00 0.00 61.69 59.32 2wh1 s THR 42 Cb -0.10 -4.21 -0.07 0.00 -1.51 0.00 0.00 72.50 66.61 2wh1 s THR 42 CO 0.29 -0.83 0.56 -0.69 -2.21 0.00 0.00 174.62 171.74 2wh1 s VAL 43 N 1.56 4.85 0.31 5.08 1.01 0.12 -4.81 120.40 128.51 2wh1 s VAL 43 Ca 0.04 0.78 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 2wh1 s VAL 43 Cb -0.29 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2wh1 s VAL 43 CO 0.03 0.16 0.52 0.42 0.00 0.00 0.00 175.10 176.23 2wh1 s THR 44 N -1.56 5.10 0.48 3.92 -4.23 -1.26 0.75 115.64 118.84 2wh1 s THR 44 Ca 0.40 -0.30 0.04 0.00 -1.18 0.00 0.00 61.69 60.65 2wh1 s THR 44 Cb -0.14 -3.81 0.09 0.00 1.34 0.00 0.00 72.50 69.98 2wh1 s THR 44 CO 0.20 -0.43 0.66 -0.81 -0.54 0.00 0.00 174.62 173.70 2wh1 n PRO 45 N -1.37 0.40 -0.51 3.99 -0.04 -1.25 -4.84 135.00 131.38 2wh1 n PRO 45 Ca -0.04 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 2wh1 n PRO 45 Cb 0.55 -0.33 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 2wh1 n PRO 45 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2wh1 n LYS 46 N -2.14 3.39 0.00 0.54 2.85 -1.15 -4.78 118.16 116.87 2wh1 n LYS 46 Ca 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 2wh1 n LYS 46 Cb 0.44 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 2wh1 n LYS 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2wh1 n LYS 47 N -0.02 0.00 -0.03 -1.58 3.00 -1.26 -0.69 118.16 117.58 2wh1 n LYS 47 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 2wh1 n LYS 47 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.06 2wh1 n LYS 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2wh1 n PRO 48 N 0.00 2.93 -4.38 1.64 -0.04 -1.26 -5.05 135.00 128.83 2wh1 n PRO 48 Ca 0.00 -1.61 -0.24 0.00 -0.04 0.00 0.00 63.50 61.61 2wh1 n PRO 48 Cb 0.00 -1.06 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 2wh1 n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wh1 s ASN 49 N -1.06 4.03 -0.39 3.54 0.02 0.13 -5.11 114.94 116.09 2wh1 s ASN 49 Ca 0.04 -0.84 0.05 0.00 -1.02 0.00 0.00 52.86 51.09 2wh1 s ASN 49 Cb 0.03 -0.56 0.16 0.00 0.02 0.00 0.00 41.25 40.91 2wh1 s ASN 49 CO 0.02 0.03 0.46 -0.55 0.02 0.00 0.00 177.10 177.08 2wh1 s SER 50 N -3.52 0.32 0.35 -1.22 0.15 -1.26 -4.26 113.70 104.26 2wh1 s SER 50 Ca 0.30 -1.40 0.04 0.00 0.70 0.00 0.00 55.95 55.59 2wh1 s SER 50 Cb -0.06 0.98 -0.03 0.00 -1.71 0.00 0.00 66.02 65.20 2wh1 s SER 50 CO 0.17 -0.22 0.17 0.00 1.20 0.00 0.00 173.24 174.56 2wh1 s ALA 51 N 1.49 2.34 -0.76 5.45 0.00 -1.26 -5.01 121.76 124.01 2wh1 s ALA 51 Ca 0.17 -1.62 0.03 0.00 0.00 0.00 0.00 51.96 50.54 2wh1 s ALA 51 Cb -0.11 1.06 0.32 0.00 0.00 0.00 0.00 23.12 24.39 2wh1 s ALA 51 CO -0.04 -0.47 1.22 1.28 0.00 0.00 0.00 175.76 177.74 2wh1 n LEU 52 N -0.73 5.38 -4.52 0.00 7.99 -1.26 -3.93 117.00 119.93 2wh1 n LEU 52 Ca -0.00 -5.53 -0.56 0.00 -0.01 0.00 0.00 56.01 49.91 2wh1 n LEU 52 Cb 0.64 -0.81 -0.08 0.00 -0.11 0.00 0.00 43.42 43.06 2wh1 n LEU 52 CO 0.34 2.17 1.58 0.54 -1.51 0.00 0.00 177.39 180.52 2wh1 n ARG 53 N 0.10 0.82 -2.30 3.23 3.00 0.23 -4.47 116.66 117.27 2wh1 n ARG 53 Ca 0.35 0.26 -0.42 0.00 -0.01 0.00 0.00 57.85 58.03 2wh1 n ARG 53 Cb 0.35 -2.08 -0.03 0.00 0.00 0.00 0.00 32.46 30.71 2wh1 n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wh1 s LYS 54 N 5.04 4.26 0.34 5.56 3.01 -1.26 0.11 119.74 136.81 2wh1 s LYS 54 Ca 1.08 1.84 0.04 0.00 -1.01 0.00 0.00 55.97 57.91 2wh1 s LYS 54 Cb -1.11 -3.71 -0.01 0.00 -1.01 0.00 0.00 37.83 32.00 2wh1 s LYS 54 CO 0.61 -0.64 0.13 0.28 0.51 0.00 0.00 175.35 176.23 2wh1 n VAL 55 N 5.04 0.00 -3.64 3.17 0.31 0.44 -1.63 118.33 122.02 2wh1 n VAL 55 Ca 0.14 -2.01 -0.10 0.00 -0.01 0.00 0.00 64.34 62.36 2wh1 n VAL 55 Cb 0.44 0.73 -0.07 0.00 -0.91 0.00 0.00 33.84 34.04 2wh1 n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh1 s ALA 56 N -2.94 -1.92 0.08 3.52 0.00 -0.94 -2.73 121.76 116.84 2wh1 s ALA 56 Ca 0.18 2.05 -0.29 0.00 0.00 0.00 0.00 51.96 53.91 2wh1 s ALA 56 Cb 0.01 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 2wh1 s ALA 56 CO 0.13 -0.31 0.92 0.15 0.00 0.00 0.00 175.76 176.65 2wh1 s LYS 57 N 0.62 4.64 -0.06 0.00 -0.14 0.88 -2.11 119.74 123.57 2wh1 s LYS 57 Ca -0.01 1.36 0.01 0.00 -1.36 0.00 0.00 55.97 55.97 2wh1 s LYS 57 Cb -0.05 -3.38 0.02 0.00 -1.68 0.00 0.00 37.83 32.74 2wh1 s LYS 57 CO -0.07 0.20 -0.08 0.08 -0.76 0.00 0.00 175.35 174.72 2wh1 s VAL 58 N 0.10 0.82 -0.74 3.17 1.01 0.21 0.49 120.40 125.47 2wh1 s VAL 58 Ca 0.46 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 2wh1 s VAL 58 Cb -0.22 -0.80 0.14 0.00 0.00 0.00 0.00 36.38 35.50 2wh1 s VAL 58 CO 0.28 0.29 0.82 -0.60 0.00 0.00 0.00 175.10 175.90 2wh1 s ARG 59 N 0.89 3.33 0.75 2.72 3.52 0.13 -1.44 118.95 128.85 2wh1 s ARG 59 Ca -0.11 -1.75 -0.12 0.00 -0.13 0.00 0.00 55.73 53.63 2wh1 s ARG 59 Cb -0.15 -4.47 0.05 0.00 -1.56 0.00 0.00 34.95 28.82 2wh1 s ARG 59 CO 0.01 -1.53 1.10 -0.51 -0.81 0.00 0.00 175.30 173.56 2wh1 s LEU 60 N 1.99 3.11 0.48 -0.88 2.01 0.21 -2.32 118.68 123.29 2wh1 s LEU 60 Ca 0.18 1.90 0.27 0.00 0.01 0.00 0.00 54.13 56.50 2wh1 s LEU 60 Cb -0.16 -4.53 1.11 0.00 0.01 0.00 0.00 46.19 42.62 2wh1 s LEU 60 CO -0.02 -2.01 1.90 0.71 1.01 0.00 0.00 176.35 177.94 2wh1 h THR 61 N -0.88 0.37 0.00 5.49 1.35 -1.53 -0.99 112.91 116.72 2wh1 h THR 61 Ca -0.44 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 2wh1 h THR 61 Cb 1.24 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 2wh1 h THR 61 CO 0.51 0.14 0.00 -1.54 -0.25 0.00 0.00 175.52 174.38 2wh1 n SER 62 N -3.31 0.00 0.00 5.36 3.41 -1.26 -4.79 113.62 113.02 2wh1 n SER 62 Ca 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2wh1 n SER 62 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2wh1 n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh1 n GLY 63 N -0.39 2.77 3.78 5.00 0.00 -0.38 -5.00 105.19 110.98 2wh1 n GLY 63 Ca 0.06 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2wh1 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wh1 s TYR 64 N -1.66 2.82 -0.63 1.61 1.51 -1.26 -4.75 117.35 115.00 2wh1 s TYR 64 Ca 0.00 1.56 0.05 0.00 -1.01 0.00 0.00 57.07 57.67 2wh1 s TYR 64 Cb 0.00 -3.25 0.20 0.00 -0.11 0.00 0.00 41.96 38.81 2wh1 s TYR 64 CO 0.00 -1.33 0.57 0.39 -1.11 0.00 0.00 175.55 174.06 2wh1 n GLU 65 N -0.98 1.80 -3.00 -0.62 4.71 -1.26 0.66 120.64 121.95 2wh1 n GLU 65 Ca 0.10 -4.31 -0.19 0.00 -0.01 0.00 0.00 57.16 52.75 2wh1 n GLU 65 Cb 0.51 -2.13 0.05 0.00 -1.01 0.00 0.00 31.44 28.86 2wh1 n GLU 65 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 2wh1 n VAL 66 N 1.64 0.00 -4.11 2.62 0.24 -0.52 -4.73 118.33 113.46 2wh1 n VAL 66 Ca 0.25 -1.81 -0.30 0.00 -2.04 0.00 0.00 64.34 60.44 2wh1 n VAL 66 Cb 0.40 -0.43 -0.07 0.00 -1.47 0.00 0.00 33.84 32.26 2wh1 n VAL 66 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2wh1 s THR 67 N -2.31 4.15 0.02 3.34 -1.32 -1.26 0.66 115.64 118.93 2wh1 s THR 67 Ca 0.48 -0.95 -0.05 0.00 -1.21 0.00 0.00 61.69 59.96 2wh1 s THR 67 Cb -0.04 -2.99 -0.01 0.00 -1.51 0.00 0.00 72.50 67.95 2wh1 s THR 67 CO 0.30 0.11 0.09 0.00 -2.21 0.00 0.00 174.62 172.91 2wh1 s ALA 68 N -1.36 -0.11 0.16 11.08 0.00 -0.90 -3.71 121.76 126.92 2wh1 s ALA 68 Ca 0.27 -0.43 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 2wh1 s ALA 68 Cb -0.12 0.19 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 2wh1 s ALA 68 CO 0.19 -0.26 0.57 -0.47 0.00 0.00 0.00 175.76 175.80 2wh1 s TYR 69 N -2.03 3.60 -0.46 0.00 5.04 -0.85 -2.20 117.35 120.45 2wh1 s TYR 69 Ca -0.10 1.08 -0.10 0.00 -2.44 0.00 0.00 57.07 55.52 2wh1 s TYR 69 Cb -0.05 -2.39 0.11 0.00 0.35 0.00 0.00 41.96 39.98 2wh1 s TYR 69 CO -0.02 0.41 0.34 0.42 -1.34 0.00 0.00 175.55 175.36 2wh1 s ILE 70 N -1.49 4.31 0.64 3.14 1.01 -0.64 -1.80 121.20 126.37 2wh1 s ILE 70 Ca 0.39 -1.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.24 2wh1 s ILE 70 Cb -0.15 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 2wh1 s ILE 70 CO 0.19 -0.72 1.05 -2.16 0.00 0.00 0.00 174.94 173.31 2wh1 s PRO 71 N 1.40 3.19 0.00 2.79 0.04 -1.26 -4.69 135.00 136.48 2wh1 s PRO 71 Ca 0.05 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2wh1 s PRO 71 Cb -0.26 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2wh1 s PRO 71 CO 0.00 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.55 2wh1 n GLY 72 N -1.53 2.45 0.17 0.56 0.00 -1.26 -4.81 105.19 100.77 2wh1 n GLY 72 Ca 0.08 -1.99 0.03 0.00 0.00 0.00 0.00 46.02 44.13 2wh1 n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wh1 h GLU 73 N 0.00 0.00 -3.10 1.61 3.07 -1.95 -3.46 114.58 110.75 2wh1 h GLU 73 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wh1 h GLU 73 Cb 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.81 2wh1 h GLU 73 CO 0.00 0.46 0.15 0.20 -1.40 0.00 0.00 179.01 178.43 2wh1 s GLY 74 N -4.39 -0.36 0.25 -3.84 0.00 -1.26 -5.16 107.32 92.56 2wh1 s GLY 74 Ca -0.01 0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.79 2wh1 s GLY 74 CO 0.72 -0.02 0.30 -2.38 0.00 0.00 0.00 173.10 171.72 2wh1 s HIS 75 N -3.82 0.99 -0.38 1.90 -3.43 -1.26 -4.81 115.29 104.48 2wh1 s HIS 75 Ca 0.05 -1.21 0.11 0.00 -0.80 0.00 0.00 55.06 53.21 2wh1 s HIS 75 Cb -0.02 -0.28 0.44 0.00 -1.43 0.00 0.00 32.58 31.29 2wh1 s HIS 75 CO -0.06 -0.85 1.04 0.27 -2.00 0.00 0.00 174.74 173.14 2wh1 n ASN 76 N -0.65 3.23 -4.54 7.38 6.94 -1.26 -5.07 115.26 121.30 2wh1 n ASN 76 Ca 0.01 -3.25 -0.35 0.00 -0.02 0.00 0.00 54.58 50.97 2wh1 n ASN 76 Cb 0.64 -0.49 -0.11 0.00 -2.36 0.00 0.00 39.78 37.45 2wh1 n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wh1 s LEU 77 N -3.36 3.55 0.00 -4.53 1.43 -1.26 -4.77 118.68 109.73 2wh1 s LEU 77 Ca 0.39 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2wh1 s LEU 77 Cb 0.43 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.74 2wh1 s LEU 77 CO -0.08 0.10 0.00 0.00 0.23 0.00 0.00 176.35 176.60 2wh1 n GLN 78 N 4.01 2.52 -0.03 1.70 6.02 -1.26 -4.96 117.38 125.39 2wh1 n GLN 78 Ca -0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.80 2wh1 n GLN 78 Cb 0.52 0.00 0.21 0.00 1.02 0.00 0.00 30.24 31.99 2wh1 n GLN 78 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2wh1 h GLU 79 N 0.00 0.59 -0.10 -1.09 4.81 -1.90 -3.25 114.58 113.64 2wh1 h GLU 79 Ca 0.00 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2wh1 h GLU 79 Cb 0.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2wh1 h GLU 79 CO 0.00 0.69 -0.11 0.72 -0.73 0.00 0.00 179.01 179.58 2wh1 n HIS 80 N -4.19 0.33 -0.29 0.92 8.25 -1.26 -3.60 115.22 115.37 2wh1 n HIS 80 Ca 0.01 -1.14 -0.11 0.00 -0.26 0.00 0.00 57.72 56.21 2wh1 n HIS 80 Cb 0.33 -0.25 -0.09 0.00 1.12 0.00 0.00 29.99 31.10 2wh1 n HIS 80 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2wh1 h SER 81 N 0.69 -1.91 -1.38 0.41 0.02 -1.85 -3.43 113.55 106.09 2wh1 h SER 81 Ca 0.03 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2wh1 h SER 81 Cb 1.17 0.83 0.00 0.00 0.14 0.00 0.00 62.40 64.54 2wh1 h SER 81 CO 0.09 -0.27 0.00 0.52 -1.14 0.00 0.00 176.83 176.03 2wh1 n VAL 82 N -5.13 -0.31 -3.66 2.27 0.31 -1.26 -4.24 118.33 106.32 2wh1 n VAL 82 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wh1 n VAL 82 Cb 0.27 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.19 2wh1 n VAL 82 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wh1 s VAL 83 N -1.36 0.00 -0.13 2.52 0.11 -0.09 -3.44 120.40 118.01 2wh1 s VAL 83 Ca 0.00 -0.35 -0.01 0.00 -2.93 0.00 0.00 61.98 58.69 2wh1 s VAL 83 Cb 0.00 -1.99 -0.02 0.00 -1.53 0.00 0.00 36.38 32.84 2wh1 s VAL 83 CO 0.00 0.00 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.45 2wh1 s LEU 84 N -2.96 2.93 -0.10 2.54 0.20 -1.26 -1.05 118.68 118.97 2wh1 s LEU 84 Ca 0.14 -0.23 -0.05 0.00 0.69 0.00 0.00 54.13 54.68 2wh1 s LEU 84 Cb 0.03 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 44.08 2wh1 s LEU 84 CO -0.02 0.20 0.10 -0.63 -0.29 0.00 0.00 176.35 175.71 2wh1 s ILE 85 N 0.17 5.16 -0.16 6.68 1.01 0.21 -0.86 121.20 133.41 2wh1 s ILE 85 Ca -0.05 0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.69 2wh1 s ILE 85 Cb -0.15 -3.24 -0.14 0.00 0.01 0.00 0.00 42.46 38.94 2wh1 s ILE 85 CO 0.04 0.58 -0.07 -2.11 0.00 0.00 0.00 174.94 173.39 2wh1 n ARG 86 N 1.92 1.00 -0.10 2.79 1.85 0.18 -1.70 116.66 122.60 2wh1 n ARG 86 Ca -0.19 0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 2wh1 n ARG 86 Cb 0.54 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.60 2wh1 n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wh1 n GLY 87 N 2.45 0.49 0.00 2.89 0.00 -1.23 -4.76 105.19 105.04 2wh1 n GLY 87 Ca -0.27 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2wh1 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh1 n GLY 88 N 2.59 0.12 3.09 -0.02 0.00 -1.24 -4.61 105.19 105.12 2wh1 n GLY 88 Ca 0.00 0.72 -0.28 0.00 0.00 0.00 0.00 46.02 46.47 2wh1 n GLY 88 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wh1 n ARG 89 N 0.00 -1.30 0.00 1.61 1.85 -1.26 -3.32 116.66 114.25 2wh1 n ARG 89 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 57.85 56.47 2wh1 n ARG 89 Cb 0.00 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 30.00 2wh1 n ARG 89 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2wh1 n VAL 90 N -4.10 0.00 0.00 8.89 0.31 -1.16 -4.82 118.33 117.46 2wh1 n VAL 90 Ca 0.01 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2wh1 n VAL 90 Cb 0.54 1.05 0.00 0.00 -0.91 0.00 0.00 33.84 34.52 2wh1 n VAL 90 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2wh1 n LYS 91 N -0.39 0.00 0.05 5.55 3.00 -1.26 -4.07 118.16 121.04 2wh1 n LYS 91 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 2wh1 n LYS 91 Cb 0.01 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.21 2wh1 n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2wh1 n ASP 92 N 2.01 0.65 -4.17 3.14 8.00 -1.26 -4.60 116.55 120.32 2wh1 n ASP 92 Ca 0.00 0.02 -0.39 0.00 0.71 0.00 0.00 54.79 55.13 2wh1 n ASP 92 Cb 0.00 0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 2wh1 n ASP 92 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wh1 s LEU 93 N -3.99 5.75 -0.04 0.64 1.43 -1.26 -2.95 118.68 118.27 2wh1 s LEU 93 Ca 0.07 -3.24 -0.34 0.00 -1.03 0.00 0.00 54.13 49.59 2wh1 s LEU 93 Cb 0.14 -1.98 -0.12 0.00 0.03 0.00 0.00 46.19 44.27 2wh1 s LEU 93 CO 0.73 -0.32 1.86 -2.65 0.23 0.00 0.00 176.35 176.19 2wh1 n PRO 94 N 3.04 2.28 0.00 1.29 -0.02 -1.26 -1.19 135.00 139.14 2wh1 n PRO 94 Ca 0.16 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2wh1 n PRO 94 Cb 0.39 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 2wh1 n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh1 n GLY 95 N 4.30 3.50 3.68 -1.23 0.00 -1.26 -5.07 105.19 109.11 2wh1 n GLY 95 Ca 0.21 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 2wh1 n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh1 s VAL 96 N 0.00 4.59 -0.06 1.61 1.01 -0.33 -4.62 120.40 122.60 2wh1 s VAL 96 Ca 0.00 1.89 0.22 0.00 0.00 0.00 0.00 61.98 64.09 2wh1 s VAL 96 Cb 0.00 -4.22 0.39 0.00 0.00 0.00 0.00 36.38 32.55 2wh1 s VAL 96 CO 0.00 -0.07 1.15 0.54 0.00 0.00 0.00 175.10 176.72 2wh1 n ARG 97 N 5.66 0.37 -3.47 2.72 1.74 -1.24 -2.96 116.66 119.46 2wh1 n ARG 97 Ca 0.11 -2.13 -0.15 0.00 -0.77 0.00 0.00 57.85 54.91 2wh1 n ARG 97 Cb 0.47 -0.22 -0.04 0.00 -1.02 0.00 0.00 32.46 31.65 2wh1 n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2wh1 s TYR 98 N -0.70 -0.59 0.12 -1.55 1.51 -1.21 -3.69 117.35 111.24 2wh1 s TYR 98 Ca 0.28 0.69 0.09 0.00 -1.01 0.00 0.00 57.07 57.12 2wh1 s TYR 98 Cb 0.33 0.48 -0.04 0.00 -0.11 0.00 0.00 41.96 42.62 2wh1 s TYR 98 CO -0.12 -0.73 -0.20 -1.01 -1.11 0.00 0.00 175.55 172.37 2wh1 s HIS 99 N -2.55 2.49 -0.03 2.71 3.76 -1.26 -2.00 115.29 118.40 2wh1 s HIS 99 Ca -0.05 -0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 54.39 2wh1 s HIS 99 Cb -0.01 -1.33 -0.05 0.00 1.11 0.00 0.00 32.58 32.30 2wh1 s HIS 99 CO -0.02 0.37 0.51 0.42 -0.85 0.00 0.00 174.74 175.16 2wh1 s ILE 100 N -1.11 5.00 -0.50 0.60 1.01 -0.74 0.51 121.20 125.97 2wh1 s ILE 100 Ca 0.17 1.05 -0.20 0.00 0.00 0.00 0.00 60.65 61.66 2wh1 s ILE 100 Cb -0.10 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.58 2wh1 s ILE 100 CO 0.09 0.45 0.68 -0.69 0.00 0.00 0.00 174.94 175.47 2wh1 s VAL 101 N -0.29 4.78 0.57 2.92 1.01 -0.04 -4.66 120.40 124.69 2wh1 s VAL 101 Ca 0.27 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 2wh1 s VAL 101 Cb -0.17 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 2wh1 s VAL 101 CO 0.14 -0.80 1.23 -0.13 0.00 0.00 0.00 175.10 175.54 2wh1 s ARG 102 N 2.90 3.06 0.00 2.72 0.52 -1.26 -2.55 118.95 124.33 2wh1 s ARG 102 Ca 0.20 1.90 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 2wh1 s ARG 102 Cb -0.17 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.28 2wh1 s ARG 102 CO 0.15 -1.16 0.00 0.41 0.02 0.00 0.00 175.30 174.72 2wh1 n GLY 103 N 0.56 1.70 3.55 -3.53 0.00 -0.98 -4.22 105.19 102.27 2wh1 n GLY 103 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2wh1 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh1 s VAL 104 N -2.35 4.25 0.00 1.61 1.01 -1.06 -4.94 120.40 118.93 2wh1 s VAL 104 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2wh1 s VAL 104 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2wh1 s VAL 104 CO 0.00 0.48 0.00 -1.22 0.00 0.00 0.00 175.10 174.36 2wh1 n TYR 105 N 3.53 -1.18 0.00 5.22 0.53 -1.26 -2.83 117.16 121.17 2wh1 n TYR 105 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.71 2wh1 n TYR 105 Cb 0.52 0.20 0.00 0.00 -1.03 0.00 0.00 39.34 39.03 2wh1 n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2wh1 n ASP 106 N -3.14 0.00 -4.54 7.72 10.43 -1.22 -4.31 116.55 121.48 2wh1 n ASP 106 Ca 0.00 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 56.96 2wh1 n ASP 106 Cb 0.00 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 42.86 2wh1 n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wh1 s ALA 107 N -1.21 3.51 0.93 2.24 0.00 -1.13 -4.77 121.76 121.32 2wh1 s ALA 107 Ca 0.00 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 50.50 2wh1 s ALA 107 Cb 0.00 -2.69 0.18 0.00 0.00 0.00 0.00 23.12 20.61 2wh1 s ALA 107 CO 0.00 -0.96 1.28 0.00 0.00 0.00 0.00 175.76 176.09 2wh1 s ALA 108 N 1.80 2.39 0.62 0.00 0.00 -1.26 -2.33 121.76 122.97 2wh1 s ALA 108 Ca 0.08 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 2wh1 s ALA 108 Cb -0.17 -2.73 0.06 0.00 0.00 0.00 0.00 23.12 20.28 2wh1 s ALA 108 CO 0.11 -2.30 0.41 0.41 0.00 0.00 0.00 175.76 174.39 2wh1 n GLY 109 N -3.65 0.31 3.54 0.00 0.00 -1.26 -3.07 105.19 101.05 2wh1 n GLY 109 Ca 0.15 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 2wh1 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh1 s VAL 110 N -1.25 5.26 0.26 1.61 1.01 -1.21 -4.94 120.40 121.15 2wh1 s VAL 110 Ca 0.26 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 2wh1 s VAL 110 Cb -0.01 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 2wh1 s VAL 110 CO 0.17 -0.00 0.96 -0.54 0.00 0.00 0.00 175.10 175.69 2wh1 s LYS 111 N 1.80 4.77 0.00 2.72 1.02 -1.26 -3.41 119.74 125.38 2wh1 s LYS 111 Ca 0.08 1.50 0.00 0.00 0.02 0.00 0.00 55.97 57.57 2wh1 s LYS 111 Cb -0.17 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 2wh1 s LYS 111 CO 0.11 0.43 0.00 -0.25 -0.92 0.00 0.00 175.35 174.72 2wh1 n ASP 112 N 1.27 -2.50 -4.56 2.83 10.43 -1.26 -4.99 116.55 117.76 2wh1 n ASP 112 Ca -0.01 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.94 2wh1 n ASP 112 Cb 0.47 -0.42 -0.08 0.00 1.84 0.00 0.00 41.12 42.94 2wh1 n ASP 112 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 2wh1 s ARG 113 N -1.25 3.68 -0.03 -1.24 1.81 -1.22 -4.88 118.95 115.82 2wh1 s ARG 113 Ca 0.00 -0.13 0.04 0.00 -1.72 0.00 0.00 55.73 53.92 2wh1 s ARG 113 Cb 0.00 -3.78 -0.06 0.00 -0.45 0.00 0.00 34.95 30.66 2wh1 s ARG 113 CO 0.00 -0.58 0.04 1.63 -0.68 0.00 0.00 175.30 175.71 2wh1 n LYS 114 N 5.67 2.30 0.00 3.54 5.02 -1.26 -4.90 118.16 128.53 2wh1 n LYS 114 Ca -0.05 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2wh1 n LYS 114 Cb 0.49 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 2wh1 n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wh1 n LYS 115 N -2.00 0.00 -1.68 1.97 4.76 -1.26 -4.84 118.16 115.12 2wh1 n LYS 115 Ca -0.05 0.00 -0.46 0.00 -2.87 0.00 0.00 58.31 54.93 2wh1 n LYS 115 Cb 0.47 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.62 2wh1 n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2wh1 n SER 116 N 0.00 3.28 0.00 4.39 7.64 -1.26 -4.79 113.62 122.88 2wh1 n SER 116 Ca 0.00 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2wh1 n SER 116 Cb 0.00 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.77 2wh1 n SER 116 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wh1 n ARG 117 N 4.19 2.25 -0.37 1.43 1.74 -1.26 -4.75 116.66 119.89 2wh1 n ARG 117 Ca 0.18 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.24 2wh1 n ARG 117 Cb 0.30 -0.19 0.11 0.00 -1.02 0.00 0.00 32.46 31.66 2wh1 n ARG 117 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wh1 h SER 118 N 0.00 1.13 -3.40 0.55 0.87 -1.87 -2.67 113.55 108.17 2wh1 h SER 118 Ca 0.00 -0.03 -0.52 0.00 -1.23 0.00 0.00 61.79 60.01 2wh1 h SER 118 Cb 0.00 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 2wh1 h SER 118 CO 0.00 0.82 -0.08 -0.54 -0.53 0.00 0.00 176.83 176.50 2wh1 s LYS 119 N -6.12 3.74 0.00 2.24 1.02 -1.26 -3.62 119.74 115.74 2wh1 s LYS 119 Ca -0.13 0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.08 2wh1 s LYS 119 Cb 0.18 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2wh1 s LYS 119 CO 0.82 0.21 0.00 0.66 -0.92 0.00 0.00 175.35 176.12 2wh1 n TYR 120 N -0.64 0.00 -3.47 3.18 4.02 -1.26 -4.64 117.16 114.35 2wh1 n TYR 120 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 2wh1 n TYR 120 Cb 0.53 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.89 2wh1 n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh1 n GLY 121 N -2.00 0.10 2.77 2.72 0.00 -1.02 -3.28 105.19 104.49 2wh1 n GLY 121 Ca 0.00 1.09 -0.16 0.00 0.00 0.00 0.00 46.02 46.95 2wh1 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wh1 s THR 122 N -1.47 -0.02 0.61 2.61 -4.23 -1.16 -4.24 115.64 107.74 2wh1 s THR 122 Ca 0.36 0.22 -0.19 0.00 -1.18 0.00 0.00 61.69 60.90 2wh1 s THR 122 Cb -0.04 -0.13 -0.03 0.00 1.34 0.00 0.00 72.50 73.65 2wh1 s THR 122 CO 0.81 0.11 1.23 -0.54 -0.54 0.00 0.00 174.62 175.70 2wh1 s LYS 123 N 1.19 2.85 0.18 3.99 -0.14 -1.26 -4.81 119.74 121.74 2wh1 s LYS 123 Ca -0.08 1.90 -0.33 0.00 -1.36 0.00 0.00 55.97 56.11 2wh1 s LYS 123 Cb -0.13 -1.90 -0.15 0.00 -1.68 0.00 0.00 37.83 33.97 2wh1 s LYS 123 CO -0.03 -1.32 1.28 1.17 -0.76 0.00 0.00 175.35 175.69 2wh1 n LYS 124 N -1.68 1.48 -1.52 1.68 3.00 -1.26 -4.77 118.16 115.08 2wh1 n LYS 124 Ca 0.14 0.53 -0.46 0.00 -0.00 0.00 0.00 58.31 58.52 2wh1 n LYS 124 Cb 0.49 -2.11 -0.05 0.00 0.00 0.00 0.00 35.03 33.36 2wh1 n LYS 124 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2wh1 n PRO 125 N 2.03 1.47 -0.59 1.64 -0.02 -1.26 -4.78 135.00 133.49 2wh1 n PRO 125 Ca 0.15 0.38 -0.09 0.00 -2.02 0.00 0.00 63.50 61.91 2wh1 n PRO 125 Cb 0.26 -2.88 -0.08 0.00 -0.02 0.00 0.00 33.50 30.78 2wh1 n PRO 125 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wh1 n LYS 126 N 8.53 1.27 -0.02 -0.52 5.02 -1.26 -4.22 118.16 126.96 2wh1 n LYS 126 Ca 0.36 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 2wh1 n LYS 126 Cb 0.35 -1.89 0.01 0.00 -0.02 0.00 0.00 35.03 33.49 2wh1 n LYS 126 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wh1 n GLU 127 N 2.96 1.09 -0.99 1.97 1.02 -1.26 -3.98 120.64 121.45 2wh1 n GLU 127 Ca 0.27 -0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 57.12 2wh1 n GLU 127 Cb 0.45 -1.12 0.01 0.00 -0.02 0.00 0.00 31.44 30.77 2wh1 n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wh1 n ALA 128 N -0.33 5.35 -2.66 0.62 0.00 -1.26 -4.44 120.51 117.78 2wh1 n ALA 128 Ca 0.01 -1.84 -0.20 0.00 0.00 0.00 0.00 53.44 51.42 2wh1 n ALA 128 Cb 0.08 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2wh1 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh1 n ALA 129 N 0.56 4.15 0.00 0.00 0.00 -1.26 -5.27 120.51 118.69 2wh1 n ALA 129 Ca 0.32 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.91 2wh1 n ALA 129 Cb 0.58 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2wh1 n ALA 129 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13