#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh3 n THR 6 N 0.00 0.00 0.00 3.45 -2.24 -1.26 -4.70 114.28 109.53 2wh3 n THR 6 Ca 0.00 -0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 2wh3 n THR 6 Cb 0.00 -0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 67.33 2wh3 n THR 6 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2wh3 h ILE 7 N -1.96 1.08 -0.08 2.28 1.08 -2.05 -1.56 117.51 116.31 2wh3 h ILE 7 Ca -0.48 -0.24 0.02 0.00 -0.39 0.00 0.00 64.86 63.78 2wh3 h ILE 7 Cb 1.29 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 36.17 2wh3 h ILE 7 CO 0.40 0.07 0.14 -1.13 -0.69 0.00 0.00 178.15 176.94 2wh3 h ASN 8 N 0.01 0.00 0.00 1.72 -1.24 -1.99 0.13 115.58 114.22 2wh3 h ASN 8 Ca 0.02 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 2wh3 h ASN 8 Cb 0.08 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.13 2wh3 h ASN 8 CO -0.00 0.00 -0.00 1.56 -1.29 0.00 0.00 177.43 177.70 2wh3 h GLN 9 N 0.00 0.00 -0.02 6.67 4.20 -1.70 -2.31 115.11 121.94 2wh3 h GLN 9 Ca 0.04 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.75 2wh3 h GLN 9 Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2wh3 h GLN 9 CO -0.00 0.81 0.30 -0.07 -0.67 0.00 0.00 178.83 179.20 2wh3 h LEU 10 N -0.81 0.00 0.02 1.46 3.38 0.15 1.39 115.31 120.91 2wh3 h LEU 10 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2wh3 h LEU 10 Cb 0.81 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2wh3 h LEU 10 CO 0.00 0.00 -1.52 0.58 0.09 0.00 0.00 178.44 177.59 2wh3 h VAL 11 N 0.00 1.09 0.13 1.22 2.07 -1.05 -2.59 116.25 117.12 2wh3 h VAL 11 Ca 0.01 -2.88 -0.33 0.00 0.82 0.00 0.00 66.70 64.33 2wh3 h VAL 11 Cb 0.62 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 2wh3 h VAL 11 CO -0.00 0.67 -1.67 0.03 0.02 0.00 0.00 177.57 176.61 2wh3 h ARG 12 N 0.01 0.28 0.00 1.57 3.08 0.21 -3.42 114.38 116.11 2wh3 h ARG 12 Ca -0.22 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.34 2wh3 h ARG 12 Cb 1.95 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 32.18 2wh3 h ARG 12 CO 0.10 1.15 -1.12 1.63 -1.07 0.00 0.00 179.97 180.66 2wh3 n LYS 13 N -3.47 0.50 -0.96 0.04 5.02 0.23 -5.08 118.16 114.43 2wh3 n LYS 13 Ca -0.21 -0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.19 2wh3 n LYS 13 Cb 1.06 -1.06 -0.03 0.00 -0.02 0.00 0.00 35.03 34.97 2wh3 n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh3 n GLY 14 N 2.42 -1.75 3.71 0.72 0.00 -0.98 -4.89 105.19 104.41 2wh3 n GLY 14 Ca -0.01 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 44.61 2wh3 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh3 s ARG 15 N -1.58 2.55 -0.23 1.61 1.81 -1.26 -4.92 118.95 116.93 2wh3 s ARG 15 Ca 0.00 -1.22 -0.10 0.00 -1.72 0.00 0.00 55.73 52.69 2wh3 s ARG 15 Cb 0.00 -2.35 -0.05 0.00 -0.45 0.00 0.00 34.95 32.10 2wh3 s ARG 15 CO 0.00 0.40 0.14 -2.00 -0.68 0.00 0.00 175.30 173.15 2wh3 s GLU 16 N -3.57 4.05 0.24 3.54 2.12 -1.26 -5.07 118.70 118.74 2wh3 s GLU 16 Ca 0.31 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.06 2wh3 s GLU 16 Cb -0.08 -3.46 -0.09 0.00 0.26 0.00 0.00 34.13 30.76 2wh3 s GLU 16 CO 0.21 0.11 1.23 0.15 -0.54 0.00 0.00 175.26 176.43 2wh3 s LYS 17 N 0.88 4.47 0.49 4.30 -0.14 -1.26 -4.99 119.74 123.49 2wh3 s LYS 17 Ca 0.07 1.98 -0.20 0.00 -1.36 0.00 0.00 55.97 56.46 2wh3 s LYS 17 Cb -0.13 -3.18 -0.08 0.00 -1.68 0.00 0.00 37.83 32.75 2wh3 s LYS 17 CO 0.03 -0.09 1.03 0.08 -0.76 0.00 0.00 175.35 175.64 2wh3 s VAL 18 N -0.47 3.83 0.03 3.17 1.01 -1.26 -5.06 120.40 121.66 2wh3 s VAL 18 Ca 0.51 1.12 0.08 0.00 0.00 0.00 0.00 61.98 63.69 2wh3 s VAL 18 Cb -0.35 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2wh3 s VAL 18 CO 0.41 -0.26 -0.21 -0.13 0.00 0.00 0.00 175.10 174.91 2wh3 s ARG 19 N -3.28 2.01 -0.25 2.72 0.52 -1.26 -5.11 118.95 114.29 2wh3 s ARG 19 Ca 0.67 -1.00 -0.18 0.00 -0.52 0.00 0.00 55.73 54.69 2wh3 s ARG 19 Cb -0.16 -2.12 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 2wh3 s ARG 19 CO 0.21 0.54 0.52 0.15 0.02 0.00 0.00 175.30 176.74 2wh3 s LYS 20 N -1.25 4.09 -0.40 3.54 1.02 -1.26 -5.04 119.74 120.44 2wh3 s LYS 20 Ca 0.13 0.35 -0.25 0.00 0.02 0.00 0.00 55.97 56.22 2wh3 s LYS 20 Cb -0.10 -3.63 0.02 0.00 -0.52 0.00 0.00 37.83 33.59 2wh3 s LYS 20 CO 0.03 -0.32 0.89 0.21 -0.92 0.00 0.00 175.35 175.24 2wh3 s LYS 21 N 2.19 3.70 0.22 1.68 2.47 -1.26 -5.00 119.74 123.74 2wh3 s LYS 21 Ca 0.22 0.35 -0.31 0.00 -1.56 0.00 0.00 55.97 54.67 2wh3 s LYS 21 Cb -0.16 -3.85 -0.10 0.00 -1.46 0.00 0.00 37.83 32.26 2wh3 s LYS 21 CO 0.09 -1.03 1.54 0.45 0.16 0.00 0.00 175.35 176.57 2wh3 s SER 22 N 2.01 6.55 -0.07 1.43 0.15 -1.26 -4.88 113.70 117.64 2wh3 s SER 22 Ca 0.36 2.71 0.20 0.00 0.70 0.00 0.00 55.95 59.92 2wh3 s SER 22 Cb -0.12 -2.61 0.68 0.00 -1.71 0.00 0.00 66.02 62.27 2wh3 s SER 22 CO 0.21 -0.81 1.59 0.29 1.20 0.00 0.00 173.24 175.71 2wh3 n LYS 23 N 3.13 3.32 -3.28 5.44 5.02 -1.26 -4.77 118.16 125.76 2wh3 n LYS 23 Ca 0.11 -2.79 -0.07 0.00 -2.02 0.00 0.00 58.31 53.54 2wh3 n LYS 23 Cb 0.39 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.60 2wh3 n LYS 23 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wh3 s VAL 24 N -1.51 -0.68 -1.51 -0.18 1.01 -1.26 -4.97 120.40 111.30 2wh3 s VAL 24 Ca 0.50 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 2wh3 s VAL 24 Cb 0.30 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2wh3 s VAL 24 CO 0.28 -0.27 2.63 -2.65 0.00 0.00 0.00 175.10 175.09 2wh3 n PRO 25 N 4.81 3.26 -0.06 2.72 -0.02 -1.26 -4.29 135.00 140.16 2wh3 n PRO 25 Ca 0.07 -2.31 0.08 0.00 -2.02 0.00 0.00 63.50 59.32 2wh3 n PRO 25 Cb 0.51 -2.97 0.34 0.00 -0.02 0.00 0.00 33.50 31.35 2wh3 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh3 n ALA 26 N 4.65 2.53 -1.36 3.55 0.00 -1.26 -4.98 120.51 123.63 2wh3 n ALA 26 Ca 0.67 -0.33 0.16 0.00 0.00 0.00 0.00 53.44 53.94 2wh3 n ALA 26 Cb 0.29 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 18.53 2wh3 n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wh3 n LEU 27 N -0.13 -0.93 -1.62 0.00 7.94 -1.26 -4.32 117.00 116.68 2wh3 n LEU 27 Ca 0.12 2.18 -0.01 0.00 -1.11 0.00 0.00 56.01 57.19 2wh3 n LEU 27 Cb 0.19 -3.01 -0.00 0.00 0.53 0.00 0.00 43.42 41.12 2wh3 n LEU 27 CO 0.09 -1.97 -0.01 0.29 -1.11 0.00 0.00 177.39 174.68 2wh3 n LYS 28 N -4.23 -1.78 -1.37 1.96 5.02 -1.26 0.14 118.16 116.63 2wh3 n LYS 28 Ca -0.08 0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.13 2wh3 n LYS 28 Cb 0.62 -4.28 -0.06 0.00 -0.02 0.00 0.00 35.03 31.30 2wh3 n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh3 n GLY 29 N -0.22 1.28 3.69 0.72 0.00 -1.26 -4.87 105.19 104.53 2wh3 n GLY 29 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2wh3 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh3 n ALA 30 N 0.61 1.15 0.00 4.61 0.00 0.12 -4.89 120.51 122.12 2wh3 n ALA 30 Ca -0.13 0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 2wh3 n ALA 30 Cb 0.46 -2.25 0.02 0.00 0.00 0.00 0.00 19.45 17.68 2wh3 n ALA 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wh3 h PRO 31 N 1.93 0.59 -4.35 0.00 0.11 -1.89 -3.46 132.00 124.93 2wh3 h PRO 31 Ca -0.48 -0.42 -0.20 0.00 0.11 0.00 0.00 66.00 65.02 2wh3 h PRO 31 Cb 1.30 0.07 -0.18 0.00 0.11 0.00 0.00 31.00 32.30 2wh3 h PRO 31 CO 0.59 1.04 -0.70 -0.06 -0.21 0.00 0.00 178.00 178.66 2wh3 s PHE 32 N -3.86 0.58 -0.15 0.65 0.08 -1.26 -4.67 117.98 109.36 2wh3 s PHE 32 Ca -0.08 -0.75 -0.12 0.00 0.12 0.00 0.00 56.93 56.09 2wh3 s PHE 32 Cb 0.10 -0.37 0.04 0.00 -0.57 0.00 0.00 43.02 42.22 2wh3 s PHE 32 CO 0.86 -0.20 0.38 0.50 -0.10 0.00 0.00 175.22 176.66 2wh3 s ARG 33 N -2.69 0.43 0.25 0.44 6.06 -0.76 -4.98 118.95 117.69 2wh3 s ARG 33 Ca -0.02 0.57 0.09 0.00 -2.50 0.00 0.00 55.73 53.87 2wh3 s ARG 33 Cb -0.02 0.17 -0.04 0.00 0.06 0.00 0.00 34.95 35.12 2wh3 s ARG 33 CO -0.04 -0.07 0.01 -0.98 -2.50 0.00 0.00 175.30 171.72 2wh3 s ARG 34 N 0.41 2.37 0.13 5.12 1.70 -1.26 0.68 118.95 128.10 2wh3 s ARG 34 Ca -0.02 -1.32 -0.06 0.00 -0.47 0.00 0.00 55.73 53.86 2wh3 s ARG 34 Cb -0.04 -2.23 0.02 0.00 -0.57 0.00 0.00 34.95 32.13 2wh3 s ARG 34 CO -0.02 0.39 0.33 0.41 -1.08 0.00 0.00 175.30 175.33 2wh3 n GLY 35 N -0.77 1.45 3.64 3.88 0.00 -0.30 -1.32 105.19 111.76 2wh3 n GLY 35 Ca -0.07 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 2wh3 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh3 s VAL 36 N -2.58 3.77 0.69 1.61 1.01 -0.97 -0.89 120.40 123.04 2wh3 s VAL 36 Ca 0.07 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 2wh3 s VAL 36 Cb -0.02 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.62 2wh3 s VAL 36 CO 0.04 0.19 1.07 0.00 0.00 0.00 0.00 175.10 176.40 2wh3 n THR 38 N -3.03 0.50 -4.21 0.00 -1.04 0.21 -4.42 114.28 102.30 2wh3 n THR 38 Ca 0.07 0.17 -0.18 0.00 -2.04 0.00 0.00 64.05 62.06 2wh3 n THR 38 Cb 0.55 -1.18 -0.12 0.00 -1.82 0.00 0.00 70.33 67.77 2wh3 n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wh3 s VAL 39 N -2.00 1.23 -0.54 12.58 1.01 -1.25 -4.75 120.40 126.69 2wh3 s VAL 39 Ca 0.00 -1.51 0.06 0.00 0.00 0.00 0.00 61.98 60.53 2wh3 s VAL 39 Cb 0.00 -1.31 0.20 0.00 0.00 0.00 0.00 36.38 35.28 2wh3 s VAL 39 CO 0.00 -0.31 0.51 0.52 0.00 0.00 0.00 175.10 175.82 2wh3 n VAL 40 N 0.93 0.45 -3.03 2.92 0.31 -1.26 -0.10 118.33 118.54 2wh3 n VAL 40 Ca -0.18 -4.33 -0.30 0.00 -0.01 0.00 0.00 64.34 59.51 2wh3 n VAL 40 Cb 0.55 -1.96 -0.03 0.00 -0.91 0.00 0.00 33.84 31.49 2wh3 n VAL 40 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2wh3 s ARG 41 N -1.17 3.75 -0.53 5.55 3.52 -1.10 -4.83 118.95 124.14 2wh3 s ARG 41 Ca 0.33 0.34 -0.14 0.00 -0.13 0.00 0.00 55.73 56.12 2wh3 s ARG 41 Cb 0.07 -2.48 0.13 0.00 -1.56 0.00 0.00 34.95 31.11 2wh3 s ARG 41 CO -0.13 0.06 0.47 -0.08 -0.81 0.00 0.00 175.30 174.81 2wh3 s THR 42 N -2.24 4.99 0.16 4.11 -1.32 -1.26 -0.59 115.64 119.49 2wh3 s THR 42 Ca 0.49 -1.58 -0.16 0.00 -1.21 0.00 0.00 61.69 59.23 2wh3 s THR 42 Cb -0.10 -4.21 -0.07 0.00 -1.51 0.00 0.00 72.50 66.60 2wh3 s THR 42 CO 0.30 -0.85 0.59 -0.69 -2.21 0.00 0.00 174.62 171.76 2wh3 s VAL 43 N 1.53 4.78 0.31 5.08 1.01 0.62 -4.81 120.40 128.90 2wh3 s VAL 43 Ca 0.04 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 2wh3 s VAL 43 Cb -0.29 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2wh3 s VAL 43 CO 0.02 0.24 0.52 0.42 0.00 0.00 0.00 175.10 176.30 2wh3 s THR 44 N -1.47 5.10 0.55 3.92 -4.23 -1.26 0.74 115.64 119.00 2wh3 s THR 44 Ca 0.39 -0.32 0.04 0.00 -1.18 0.00 0.00 61.69 60.61 2wh3 s THR 44 Cb -0.15 -3.81 0.10 0.00 1.34 0.00 0.00 72.50 69.98 2wh3 s THR 44 CO 0.20 -0.43 0.76 -0.81 -0.54 0.00 0.00 174.62 173.80 2wh3 n PRO 45 N -1.37 0.31 -0.59 3.99 -0.04 -1.25 -4.84 135.00 131.21 2wh3 n PRO 45 Ca -0.04 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 2wh3 n PRO 45 Cb 0.55 -0.39 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 2wh3 n PRO 45 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2wh3 n LYS 46 N -2.32 3.27 0.00 0.54 2.85 -1.16 -4.78 118.16 116.55 2wh3 n LYS 46 Ca 0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 2wh3 n LYS 46 Cb 0.50 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 2wh3 n LYS 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2wh3 n LYS 47 N -0.04 0.00 -0.01 -1.58 3.00 -1.26 -0.75 118.16 117.53 2wh3 n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2wh3 n LYS 47 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 2wh3 n LYS 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2wh3 n PRO 48 N 0.00 2.90 -4.36 1.64 -0.04 -1.26 -5.06 135.00 128.82 2wh3 n PRO 48 Ca 0.00 -1.51 -0.24 0.00 -0.04 0.00 0.00 63.50 61.71 2wh3 n PRO 48 Cb 0.00 -1.02 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 2wh3 n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wh3 s ASN 49 N -0.98 4.11 -0.38 3.54 0.02 0.07 -5.11 114.94 116.21 2wh3 s ASN 49 Ca 0.01 -0.78 0.04 0.00 -1.02 0.00 0.00 52.86 51.11 2wh3 s ASN 49 Cb 0.01 -0.60 0.16 0.00 0.02 0.00 0.00 41.25 40.84 2wh3 s ASN 49 CO 0.01 0.04 0.44 -0.55 0.02 0.00 0.00 177.10 177.06 2wh3 s SER 50 N -3.44 0.44 0.34 -1.22 0.15 -1.26 -4.26 113.70 104.45 2wh3 s SER 50 Ca 0.29 -1.32 0.04 0.00 0.70 0.00 0.00 55.95 55.67 2wh3 s SER 50 Cb -0.06 0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 65.16 2wh3 s SER 50 CO 0.17 -0.24 0.18 0.00 1.20 0.00 0.00 173.24 174.55 2wh3 s ALA 51 N 1.59 2.20 -0.78 5.45 0.00 -1.26 -5.01 121.76 123.96 2wh3 s ALA 51 Ca 0.16 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.46 2wh3 s ALA 51 Cb -0.12 1.12 0.32 0.00 0.00 0.00 0.00 23.12 24.44 2wh3 s ALA 51 CO -0.06 -0.50 1.25 1.28 0.00 0.00 0.00 175.76 177.74 2wh3 n LEU 52 N -0.68 5.50 -4.49 0.00 7.99 -1.26 -3.89 117.00 120.17 2wh3 n LEU 52 Ca 0.01 -5.51 -0.56 0.00 -0.01 0.00 0.00 56.01 49.93 2wh3 n LEU 52 Cb 0.64 -0.84 -0.09 0.00 -0.11 0.00 0.00 43.42 43.03 2wh3 n LEU 52 CO 0.34 2.15 1.62 0.54 -1.51 0.00 0.00 177.39 180.53 2wh3 n ARG 53 N 0.12 0.76 -2.27 3.23 3.00 0.23 -4.48 116.66 117.25 2wh3 n ARG 53 Ca 0.35 0.24 -0.42 0.00 -0.01 0.00 0.00 57.85 58.01 2wh3 n ARG 53 Cb 0.35 -2.06 -0.03 0.00 0.00 0.00 0.00 32.46 30.72 2wh3 n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wh3 s LYS 54 N 5.25 4.27 0.37 5.56 3.01 -1.26 -0.28 119.74 136.67 2wh3 s LYS 54 Ca 1.09 1.89 0.04 0.00 -1.01 0.00 0.00 55.97 57.98 2wh3 s LYS 54 Cb -1.12 -3.66 -0.02 0.00 -1.01 0.00 0.00 37.83 32.03 2wh3 s LYS 54 CO 0.60 -0.61 0.15 0.28 0.51 0.00 0.00 175.35 176.28 2wh3 n VAL 55 N 4.89 0.00 -3.64 3.17 0.31 0.24 -1.71 118.33 121.59 2wh3 n VAL 55 Ca 0.13 -2.24 -0.10 0.00 -0.01 0.00 0.00 64.34 62.13 2wh3 n VAL 55 Cb 0.44 0.84 -0.07 0.00 -0.91 0.00 0.00 33.84 34.14 2wh3 n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh3 s ALA 56 N -3.07 -1.90 0.05 3.52 0.00 -0.91 -2.69 121.76 116.76 2wh3 s ALA 56 Ca 0.22 2.06 -0.29 0.00 0.00 0.00 0.00 51.96 53.95 2wh3 s ALA 56 Cb 0.01 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 2wh3 s ALA 56 CO 0.15 -0.31 0.94 0.15 0.00 0.00 0.00 175.76 176.68 2wh3 s LYS 57 N 0.63 4.61 -0.07 0.00 -0.14 0.86 -2.11 119.74 123.52 2wh3 s LYS 57 Ca -0.01 1.37 0.02 0.00 -1.36 0.00 0.00 55.97 55.98 2wh3 s LYS 57 Cb -0.05 -3.42 0.02 0.00 -1.68 0.00 0.00 37.83 32.70 2wh3 s LYS 57 CO -0.06 0.10 -0.10 0.08 -0.76 0.00 0.00 175.35 174.61 2wh3 s VAL 58 N 0.47 0.99 -0.73 3.17 1.01 0.20 0.67 120.40 126.18 2wh3 s VAL 58 Ca 0.48 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 2wh3 s VAL 58 Cb -0.22 -0.93 0.14 0.00 0.00 0.00 0.00 36.38 35.37 2wh3 s VAL 58 CO 0.28 0.33 0.83 -0.60 0.00 0.00 0.00 175.10 175.93 2wh3 s ARG 59 N 0.88 3.31 0.74 2.72 3.52 0.12 -1.38 118.95 128.86 2wh3 s ARG 59 Ca -0.11 -1.69 -0.12 0.00 -0.13 0.00 0.00 55.73 53.68 2wh3 s ARG 59 Cb -0.15 -4.46 0.04 0.00 -1.56 0.00 0.00 34.95 28.82 2wh3 s ARG 59 CO 0.01 -1.54 1.10 -0.51 -0.81 0.00 0.00 175.30 173.55 2wh3 s LEU 60 N 2.11 3.15 0.48 -0.88 2.01 0.25 -2.30 118.68 123.49 2wh3 s LEU 60 Ca 0.18 1.90 0.27 0.00 0.01 0.00 0.00 54.13 56.49 2wh3 s LEU 60 Cb -0.16 -4.53 1.12 0.00 0.01 0.00 0.00 46.19 42.63 2wh3 s LEU 60 CO -0.01 -1.94 1.91 0.71 1.01 0.00 0.00 176.35 178.03 2wh3 h THR 61 N -0.74 0.45 0.00 5.49 1.35 -1.49 -0.58 112.91 117.39 2wh3 h THR 61 Ca -0.45 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 2wh3 h THR 61 Cb 1.24 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 2wh3 h THR 61 CO 0.52 0.16 0.00 -1.54 -0.25 0.00 0.00 175.52 174.41 2wh3 n SER 62 N -3.38 0.00 0.00 5.36 3.41 -1.26 -4.79 113.62 112.95 2wh3 n SER 62 Ca -0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 2wh3 n SER 62 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2wh3 n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh3 n GLY 63 N -0.41 2.77 3.78 5.00 0.00 -0.22 -5.00 105.19 111.11 2wh3 n GLY 63 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2wh3 n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wh3 s TYR 64 N -1.60 2.85 -0.63 1.61 1.51 -1.25 -4.75 117.35 115.08 2wh3 s TYR 64 Ca 0.00 1.56 0.06 0.00 -1.01 0.00 0.00 57.07 57.68 2wh3 s TYR 64 Cb 0.00 -3.19 0.21 0.00 -0.11 0.00 0.00 41.96 38.87 2wh3 s TYR 64 CO 0.00 -1.20 0.59 0.39 -1.11 0.00 0.00 175.55 174.22 2wh3 n GLU 65 N -1.06 1.90 -2.85 -0.62 4.71 -1.26 0.84 120.64 122.30 2wh3 n GLU 65 Ca 0.10 -4.36 -0.18 0.00 -0.01 0.00 0.00 57.16 52.71 2wh3 n GLU 65 Cb 0.51 -2.14 0.05 0.00 -1.01 0.00 0.00 31.44 28.86 2wh3 n GLU 65 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 2wh3 n VAL 66 N 1.51 0.00 -4.11 2.62 0.24 -0.48 -4.72 118.33 113.40 2wh3 n VAL 66 Ca 0.25 -1.73 -0.30 0.00 -2.04 0.00 0.00 64.34 60.52 2wh3 n VAL 66 Cb 0.40 -0.50 -0.08 0.00 -1.47 0.00 0.00 33.84 32.19 2wh3 n VAL 66 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2wh3 s THR 67 N -2.20 4.14 0.02 3.34 -1.32 -1.26 0.62 115.64 118.99 2wh3 s THR 67 Ca 0.50 -0.94 -0.07 0.00 -1.21 0.00 0.00 61.69 59.97 2wh3 s THR 67 Cb -0.04 -2.98 -0.00 0.00 -1.51 0.00 0.00 72.50 67.97 2wh3 s THR 67 CO 0.32 0.12 0.12 0.00 -2.21 0.00 0.00 174.62 172.96 2wh3 s ALA 68 N -1.34 -0.21 0.18 11.08 0.00 -0.90 -3.68 121.76 126.90 2wh3 s ALA 68 Ca 0.27 -0.34 -0.15 0.00 0.00 0.00 0.00 51.96 51.73 2wh3 s ALA 68 Cb -0.12 0.19 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 2wh3 s ALA 68 CO 0.19 -0.27 0.60 -0.47 0.00 0.00 0.00 175.76 175.81 2wh3 s TYR 69 N -2.05 3.59 -0.44 0.00 5.04 -0.91 -2.14 117.35 120.44 2wh3 s TYR 69 Ca -0.10 1.13 -0.09 0.00 -2.44 0.00 0.00 57.07 55.57 2wh3 s TYR 69 Cb -0.04 -2.43 0.10 0.00 0.35 0.00 0.00 41.96 39.94 2wh3 s TYR 69 CO -0.02 0.38 0.30 0.42 -1.34 0.00 0.00 175.55 175.30 2wh3 s ILE 70 N -1.52 4.23 0.60 3.14 1.01 -0.70 -1.85 121.20 126.10 2wh3 s ILE 70 Ca 0.40 -1.59 -0.14 0.00 0.00 0.00 0.00 60.65 59.32 2wh3 s ILE 70 Cb -0.15 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2wh3 s ILE 70 CO 0.20 -0.64 1.04 -2.16 0.00 0.00 0.00 174.94 173.37 2wh3 s PRO 71 N 1.40 3.43 0.00 2.79 0.04 -1.26 -4.69 135.00 136.70 2wh3 s PRO 71 Ca 0.04 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2wh3 s PRO 71 Cb -0.25 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2wh3 s PRO 71 CO 0.01 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.75 2wh3 n GLY 72 N -1.54 2.51 0.17 0.56 0.00 -1.26 -4.82 105.19 100.80 2wh3 n GLY 72 Ca 0.08 -2.00 0.03 0.00 0.00 0.00 0.00 46.02 44.12 2wh3 n GLY 72 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wh3 h GLU 73 N 0.00 0.00 -3.10 1.61 3.07 -1.94 -3.47 114.58 110.75 2wh3 h GLU 73 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2wh3 h GLU 73 Cb 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.80 2wh3 h GLU 73 CO 0.00 0.48 0.15 0.20 -1.40 0.00 0.00 179.01 178.44 2wh3 s GLY 74 N -4.40 -0.39 0.26 -3.84 0.00 -1.26 -5.16 107.32 92.52 2wh3 s GLY 74 Ca -0.00 0.15 -0.04 0.00 0.00 0.00 0.00 44.72 44.83 2wh3 s GLY 74 CO 0.72 -0.02 0.32 -2.38 0.00 0.00 0.00 173.10 171.74 2wh3 s HIS 75 N -3.81 0.97 -0.38 1.90 -3.43 -1.26 -4.82 115.29 104.46 2wh3 s HIS 75 Ca 0.05 -1.20 0.11 0.00 -0.80 0.00 0.00 55.06 53.22 2wh3 s HIS 75 Cb -0.02 -0.26 0.44 0.00 -1.43 0.00 0.00 32.58 31.31 2wh3 s HIS 75 CO -0.07 -0.87 1.03 0.27 -2.00 0.00 0.00 174.74 173.10 2wh3 n ASN 76 N -0.66 3.16 -4.53 7.38 6.94 -1.26 -5.07 115.26 121.21 2wh3 n ASN 76 Ca 0.01 -3.24 -0.35 0.00 -0.02 0.00 0.00 54.58 50.98 2wh3 n ASN 76 Cb 0.64 -0.49 -0.11 0.00 -2.36 0.00 0.00 39.78 37.45 2wh3 n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wh3 s LEU 77 N -3.34 3.54 0.00 -4.53 1.43 -1.26 -4.78 118.68 109.74 2wh3 s LEU 77 Ca 0.38 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2wh3 s LEU 77 Cb 0.43 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.74 2wh3 s LEU 77 CO -0.08 0.10 0.00 0.00 0.23 0.00 0.00 176.35 176.60 2wh3 n GLN 78 N 4.04 2.59 -0.03 1.70 6.02 -1.26 -4.95 117.38 125.49 2wh3 n GLN 78 Ca -0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.79 2wh3 n GLN 78 Cb 0.52 0.00 0.19 0.00 1.02 0.00 0.00 30.24 31.97 2wh3 n GLN 78 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2wh3 h GLU 79 N 0.00 0.61 -0.10 -1.09 4.81 -1.90 -3.26 114.58 113.65 2wh3 h GLU 79 Ca 0.00 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 2wh3 h GLU 79 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2wh3 h GLU 79 CO 0.00 0.73 -0.11 0.72 -0.73 0.00 0.00 179.01 179.62 2wh3 n HIS 80 N -4.17 0.33 -0.32 0.92 8.25 -1.26 -3.57 115.22 115.39 2wh3 n HIS 80 Ca 0.01 -1.14 -0.12 0.00 -0.26 0.00 0.00 57.72 56.21 2wh3 n HIS 80 Cb 0.35 -0.24 -0.10 0.00 1.12 0.00 0.00 29.99 31.12 2wh3 n HIS 80 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2wh3 h SER 81 N 0.69 -2.05 -1.70 0.41 0.02 -1.85 -3.43 113.55 105.63 2wh3 h SER 81 Ca 0.03 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2wh3 h SER 81 Cb 1.17 0.89 0.00 0.00 0.14 0.00 0.00 62.40 64.60 2wh3 h SER 81 CO 0.09 -0.29 0.00 0.52 -1.14 0.00 0.00 176.83 176.01 2wh3 n VAL 82 N -5.30 -0.34 -3.66 2.27 0.31 -1.26 -4.22 118.33 106.13 2wh3 n VAL 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wh3 n VAL 82 Cb 0.29 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.21 2wh3 n VAL 82 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wh3 s VAL 83 N -1.47 0.00 -0.12 2.52 0.11 -0.07 -3.45 120.40 117.92 2wh3 s VAL 83 Ca 0.00 -0.35 -0.00 0.00 -2.93 0.00 0.00 61.98 58.70 2wh3 s VAL 83 Cb 0.00 -1.99 -0.02 0.00 -1.53 0.00 0.00 36.38 32.84 2wh3 s VAL 83 CO 0.00 0.00 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.44 2wh3 s LEU 84 N -2.97 2.88 -0.09 2.54 0.20 -1.26 -1.15 118.68 118.82 2wh3 s LEU 84 Ca 0.14 -0.24 -0.04 0.00 0.69 0.00 0.00 54.13 54.67 2wh3 s LEU 84 Cb 0.03 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 44.10 2wh3 s LEU 84 CO -0.02 0.20 0.09 -0.63 -0.29 0.00 0.00 176.35 175.70 2wh3 s ILE 85 N 0.14 5.02 -0.16 6.68 1.01 0.21 -0.68 121.20 133.44 2wh3 s ILE 85 Ca -0.05 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.66 2wh3 s ILE 85 Cb -0.15 -3.18 -0.15 0.00 0.01 0.00 0.00 42.46 39.00 2wh3 s ILE 85 CO 0.04 0.58 -0.05 -2.11 0.00 0.00 0.00 174.94 173.41 2wh3 n ARG 86 N 1.93 1.14 -0.16 2.79 1.85 0.20 -1.84 116.66 122.58 2wh3 n ARG 86 Ca -0.19 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.71 2wh3 n ARG 86 Cb 0.54 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.60 2wh3 n ARG 86 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wh3 n GLY 87 N 2.38 0.18 0.00 2.89 0.00 -1.23 -4.76 105.19 104.65 2wh3 n GLY 87 Ca -0.27 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2wh3 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh3 n GLY 88 N 2.41 0.12 3.12 -0.02 0.00 -1.24 -4.62 105.19 104.96 2wh3 n GLY 88 Ca 0.00 0.72 -0.29 0.00 0.00 0.00 0.00 46.02 46.45 2wh3 n GLY 88 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wh3 n ARG 89 N 0.00 -1.31 0.00 1.61 1.85 -1.26 -3.26 116.66 114.30 2wh3 n ARG 89 Ca 0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 57.85 56.47 2wh3 n ARG 89 Cb 0.00 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 29.97 2wh3 n ARG 89 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2wh3 n VAL 90 N -4.15 0.00 0.00 8.89 0.31 -1.15 -4.82 118.33 117.42 2wh3 n VAL 90 Ca 0.01 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 2wh3 n VAL 90 Cb 0.57 1.02 0.00 0.00 -0.91 0.00 0.00 33.84 34.52 2wh3 n VAL 90 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2wh3 n LYS 91 N -0.54 0.00 0.05 5.55 3.00 -1.26 -4.12 118.16 120.85 2wh3 n LYS 91 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 2wh3 n LYS 91 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.19 2wh3 n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2wh3 n ASP 92 N 2.48 0.67 -4.16 3.14 8.00 -1.26 -4.59 116.55 120.82 2wh3 n ASP 92 Ca 0.00 0.05 -0.39 0.00 0.71 0.00 0.00 54.79 55.16 2wh3 n ASP 92 Cb 0.00 0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 2wh3 n ASP 92 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wh3 s LEU 93 N -4.08 5.73 -0.08 0.64 1.43 -1.26 -3.00 118.68 118.05 2wh3 s LEU 93 Ca 0.06 -3.29 -0.34 0.00 -1.03 0.00 0.00 54.13 49.53 2wh3 s LEU 93 Cb 0.14 -1.97 -0.12 0.00 0.03 0.00 0.00 46.19 44.27 2wh3 s LEU 93 CO 0.73 -0.31 1.87 -2.65 0.23 0.00 0.00 176.35 176.22 2wh3 n PRO 94 N 2.97 2.18 0.00 1.29 -0.02 -1.26 -1.07 135.00 139.08 2wh3 n PRO 94 Ca 0.16 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2wh3 n PRO 94 Cb 0.39 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2wh3 n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh3 n GLY 95 N 4.37 3.48 3.67 -1.23 0.00 -1.26 -5.07 105.19 109.16 2wh3 n GLY 95 Ca 0.22 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 2wh3 n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh3 s VAL 96 N 0.00 4.60 -0.11 1.61 1.01 -0.23 -4.61 120.40 122.66 2wh3 s VAL 96 Ca 0.00 1.90 0.22 0.00 0.00 0.00 0.00 61.98 64.10 2wh3 s VAL 96 Cb 0.00 -4.23 0.42 0.00 0.00 0.00 0.00 36.38 32.58 2wh3 s VAL 96 CO 0.00 -0.08 1.16 0.54 0.00 0.00 0.00 175.10 176.72 2wh3 n ARG 97 N 5.71 0.71 -3.49 2.72 1.74 -1.24 -2.96 116.66 119.86 2wh3 n ARG 97 Ca 0.11 -2.42 -0.13 0.00 -0.77 0.00 0.00 57.85 54.64 2wh3 n ARG 97 Cb 0.47 -0.52 -0.04 0.00 -1.02 0.00 0.00 32.46 31.36 2wh3 n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2wh3 s TYR 98 N -1.37 -0.52 0.14 -1.55 1.51 -1.20 -3.72 117.35 110.64 2wh3 s TYR 98 Ca 0.27 0.60 0.09 0.00 -1.01 0.00 0.00 57.07 57.03 2wh3 s TYR 98 Cb 0.34 0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 42.64 2wh3 s TYR 98 CO -0.11 -0.65 -0.18 -1.01 -1.11 0.00 0.00 175.55 172.49 2wh3 s HIS 99 N -2.47 2.50 -0.02 2.71 3.76 -1.26 -2.14 115.29 118.37 2wh3 s HIS 99 Ca -0.02 -0.28 -0.18 0.00 -0.15 0.00 0.00 55.06 54.43 2wh3 s HIS 99 Cb -0.01 -1.30 -0.05 0.00 1.11 0.00 0.00 32.58 32.33 2wh3 s HIS 99 CO -0.03 0.42 0.50 0.42 -0.85 0.00 0.00 174.74 175.20 2wh3 s ILE 100 N -1.31 4.99 -0.47 0.60 1.01 -0.77 0.61 121.20 125.85 2wh3 s ILE 100 Ca 0.19 1.03 -0.20 0.00 0.00 0.00 0.00 60.65 61.68 2wh3 s ILE 100 Cb -0.10 -3.83 0.04 0.00 0.01 0.00 0.00 42.46 38.59 2wh3 s ILE 100 CO 0.11 0.47 0.62 -0.69 0.00 0.00 0.00 174.94 175.45 2wh3 s VAL 101 N -0.41 4.86 0.55 2.92 1.01 0.15 -4.67 120.40 124.81 2wh3 s VAL 101 Ca 0.27 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 2wh3 s VAL 101 Cb -0.17 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 2wh3 s VAL 101 CO 0.14 -0.70 1.24 -0.13 0.00 0.00 0.00 175.10 175.65 2wh3 s ARG 102 N 2.70 3.21 0.00 2.72 0.52 -1.26 -2.63 118.95 124.20 2wh3 s ARG 102 Ca 0.18 1.92 0.00 0.00 -0.52 0.00 0.00 55.73 57.31 2wh3 s ARG 102 Cb -0.17 -2.13 0.00 0.00 0.52 0.00 0.00 34.95 33.17 2wh3 s ARG 102 CO 0.15 -1.04 0.00 0.41 0.02 0.00 0.00 175.30 174.84 2wh3 n GLY 103 N 0.55 1.93 3.59 -3.53 0.00 -0.98 -4.21 105.19 102.55 2wh3 n GLY 103 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2wh3 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh3 s VAL 104 N -2.33 4.49 0.00 1.61 1.01 -1.08 -4.93 120.40 119.16 2wh3 s VAL 104 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2wh3 s VAL 104 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2wh3 s VAL 104 CO 0.00 0.47 0.00 -1.22 0.00 0.00 0.00 175.10 174.35 2wh3 n TYR 105 N 3.50 -1.13 0.00 5.22 0.53 -1.26 -2.86 117.16 121.16 2wh3 n TYR 105 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.71 2wh3 n TYR 105 Cb 0.52 0.20 0.00 0.00 -1.03 0.00 0.00 39.34 39.03 2wh3 n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2wh3 n ASP 106 N -3.13 0.00 -4.53 7.72 10.43 -1.22 -4.34 116.55 121.49 2wh3 n ASP 106 Ca 0.00 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 56.96 2wh3 n ASP 106 Cb 0.00 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 42.85 2wh3 n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wh3 s ALA 107 N -1.25 3.49 0.92 2.24 0.00 -1.14 -4.76 121.76 121.26 2wh3 s ALA 107 Ca 0.00 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.46 2wh3 s ALA 107 Cb 0.00 -2.63 0.18 0.00 0.00 0.00 0.00 23.12 20.67 2wh3 s ALA 107 CO 0.00 -0.93 1.27 0.00 0.00 0.00 0.00 175.76 176.10 2wh3 s ALA 108 N 1.72 2.43 0.59 0.00 0.00 -1.26 -2.32 121.76 122.91 2wh3 s ALA 108 Ca 0.06 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 2wh3 s ALA 108 Cb -0.17 -2.72 0.05 0.00 0.00 0.00 0.00 23.12 20.28 2wh3 s ALA 108 CO 0.10 -2.26 0.33 0.41 0.00 0.00 0.00 175.76 174.34 2wh3 n GLY 109 N -3.62 0.37 3.54 0.00 0.00 -1.26 -3.06 105.19 101.16 2wh3 n GLY 109 Ca 0.14 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 2wh3 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh3 s VAL 110 N -1.00 5.28 0.25 1.61 1.01 -1.20 -4.94 120.40 121.41 2wh3 s VAL 110 Ca 0.21 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 2wh3 s VAL 110 Cb -0.01 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 2wh3 s VAL 110 CO 0.14 0.02 0.95 -0.54 0.00 0.00 0.00 175.10 175.68 2wh3 s LYS 111 N 1.76 4.81 0.00 2.72 1.02 -1.26 -3.38 119.74 125.41 2wh3 s LYS 111 Ca 0.07 1.49 0.00 0.00 0.02 0.00 0.00 55.97 57.55 2wh3 s LYS 111 Cb -0.17 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 2wh3 s LYS 111 CO 0.11 0.47 0.00 -0.25 -0.92 0.00 0.00 175.35 174.75 2wh3 n ASP 112 N 1.35 -2.49 -4.57 2.83 10.43 -1.26 -4.99 116.55 117.85 2wh3 n ASP 112 Ca -0.01 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.94 2wh3 n ASP 112 Cb 0.47 -0.41 -0.08 0.00 1.84 0.00 0.00 41.12 42.94 2wh3 n ASP 112 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 2wh3 s ARG 113 N -1.26 3.71 -0.03 -1.24 1.81 -1.22 -4.88 118.95 115.84 2wh3 s ARG 113 Ca 0.00 -0.09 0.04 0.00 -1.72 0.00 0.00 55.73 53.96 2wh3 s ARG 113 Cb 0.00 -3.78 -0.06 0.00 -0.45 0.00 0.00 34.95 30.67 2wh3 s ARG 113 CO 0.00 -0.57 0.04 1.63 -0.68 0.00 0.00 175.30 175.72 2wh3 n LYS 114 N 5.68 2.29 0.00 3.54 5.02 -1.26 -4.90 118.16 128.53 2wh3 n LYS 114 Ca -0.05 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2wh3 n LYS 114 Cb 0.49 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 2wh3 n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wh3 n LYS 115 N -1.99 0.00 -1.69 1.97 4.76 -1.26 -4.84 118.16 115.11 2wh3 n LYS 115 Ca -0.05 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 54.95 2wh3 n LYS 115 Cb 0.47 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.62 2wh3 n LYS 115 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2wh3 n SER 116 N 0.00 3.58 0.00 4.39 7.64 -1.26 -4.79 113.62 123.18 2wh3 n SER 116 Ca 0.00 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.92 2wh3 n SER 116 Cb 0.00 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.72 2wh3 n SER 116 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wh3 n ARG 117 N 4.53 2.11 -0.37 1.43 1.74 -1.26 -4.74 116.66 120.10 2wh3 n ARG 117 Ca 0.18 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.24 2wh3 n ARG 117 Cb 0.32 -0.18 0.11 0.00 -1.02 0.00 0.00 32.46 31.69 2wh3 n ARG 117 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wh3 h SER 118 N 0.00 1.14 -3.37 0.55 0.87 -1.87 -2.57 113.55 108.31 2wh3 h SER 118 Ca 0.00 -0.03 -0.52 0.00 -1.23 0.00 0.00 61.79 60.01 2wh3 h SER 118 Cb 0.00 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 2wh3 h SER 118 CO 0.00 0.83 -0.08 -0.54 -0.53 0.00 0.00 176.83 176.51 2wh3 s LYS 119 N -6.11 3.71 0.00 2.24 1.02 -1.26 -3.64 119.74 115.71 2wh3 s LYS 119 Ca -0.13 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.04 2wh3 s LYS 119 Cb 0.18 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2wh3 s LYS 119 CO 0.82 0.19 0.00 0.66 -0.92 0.00 0.00 175.35 176.10 2wh3 n TYR 120 N -0.77 0.00 -3.44 3.18 4.02 -1.26 -4.64 117.16 114.25 2wh3 n TYR 120 Ca -0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 2wh3 n TYR 120 Cb 0.53 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.89 2wh3 n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh3 n GLY 121 N -2.00 0.02 2.78 2.72 0.00 -0.98 -3.25 105.19 104.48 2wh3 n GLY 121 Ca 0.00 1.12 -0.16 0.00 0.00 0.00 0.00 46.02 46.98 2wh3 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wh3 s THR 122 N -1.54 0.01 0.63 2.61 -4.23 -1.14 -4.25 115.64 107.73 2wh3 s THR 122 Ca 0.36 0.19 -0.18 0.00 -1.18 0.00 0.00 61.69 60.88 2wh3 s THR 122 Cb -0.04 -0.14 -0.02 0.00 1.34 0.00 0.00 72.50 73.64 2wh3 s THR 122 CO 0.83 0.11 1.22 -0.54 -0.54 0.00 0.00 174.62 175.70 2wh3 s LYS 123 N 1.13 2.76 0.17 3.99 -0.14 -1.26 -4.81 119.74 121.58 2wh3 s LYS 123 Ca -0.08 1.84 -0.33 0.00 -1.36 0.00 0.00 55.97 56.04 2wh3 s LYS 123 Cb -0.13 -1.90 -0.15 0.00 -1.68 0.00 0.00 37.83 33.97 2wh3 s LYS 123 CO -0.03 -1.37 1.33 1.17 -0.76 0.00 0.00 175.35 175.69 2wh3 n LYS 124 N -1.85 1.55 -1.52 1.68 3.00 -1.26 -4.78 118.16 114.98 2wh3 n LYS 124 Ca 0.14 0.55 -0.46 0.00 -0.00 0.00 0.00 58.31 58.55 2wh3 n LYS 124 Cb 0.49 -2.17 -0.05 0.00 0.00 0.00 0.00 35.03 33.30 2wh3 n LYS 124 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2wh3 n PRO 125 N 2.25 1.33 -0.56 1.64 -0.02 -1.26 -4.77 135.00 133.61 2wh3 n PRO 125 Ca 0.15 0.32 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 2wh3 n PRO 125 Cb 0.26 -2.83 -0.08 0.00 -0.02 0.00 0.00 33.50 30.83 2wh3 n PRO 125 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wh3 n LYS 126 N 8.53 1.23 -0.02 -0.52 5.02 -1.26 -4.20 118.16 126.94 2wh3 n LYS 126 Ca 0.38 -0.70 0.01 0.00 -2.02 0.00 0.00 58.31 55.98 2wh3 n LYS 126 Cb 0.34 -1.89 0.02 0.00 -0.02 0.00 0.00 35.03 33.48 2wh3 n LYS 126 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wh3 n GLU 127 N 3.03 1.11 -0.96 1.97 1.02 -1.26 -3.99 120.64 121.56 2wh3 n GLU 127 Ca 0.26 -0.14 -0.17 0.00 -0.02 0.00 0.00 57.16 57.09 2wh3 n GLU 127 Cb 0.42 -1.14 0.02 0.00 -0.02 0.00 0.00 31.44 30.72 2wh3 n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wh3 n ALA 128 N -0.30 5.27 -2.66 0.62 0.00 -1.26 -4.45 120.51 117.73 2wh3 n ALA 128 Ca 0.01 -1.76 -0.20 0.00 0.00 0.00 0.00 53.44 51.49 2wh3 n ALA 128 Cb 0.09 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.06 2wh3 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh3 n ALA 129 N 0.53 4.16 0.00 0.00 0.00 -1.26 -5.27 120.51 118.68 2wh3 n ALA 129 Ca 0.31 -3.87 0.00 0.00 0.00 0.00 0.00 53.44 49.88 2wh3 n ALA 129 Cb 0.58 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2wh3 n ALA 129 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13