#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl n THR 3 N 0.00 1.78 -0.33 3.45 -2.24 -1.26 -4.76 114.28 110.92 3knl n THR 3 Ca 0.00 -0.29 -0.04 0.00 -2.27 0.00 0.00 64.05 61.45 3knl n THR 3 Cb 0.00 -0.95 0.08 0.00 -2.10 0.00 0.00 70.33 67.37 3knl n THR 3 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3knl h ILE 4 N -0.73 1.25 0.00 2.28 1.08 -2.06 0.11 117.51 119.44 3knl h ILE 4 Ca -0.46 -0.56 -0.00 0.00 -0.39 0.00 0.00 64.86 63.45 3knl h ILE 4 Cb 1.32 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 35.09 3knl h ILE 4 CO 0.43 0.27 -0.01 -1.13 -0.69 0.00 0.00 178.15 177.02 3knl h ASN 5 N 1.22 0.00 -0.04 1.72 -0.73 -2.00 -1.30 115.58 114.45 3knl h ASN 5 Ca 0.31 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.29 3knl h ASN 5 Cb -0.03 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.58 3knl h ASN 5 CO -0.06 0.01 -0.73 1.56 -0.37 0.00 0.00 177.43 177.84 3knl h GLN 6 N 0.00 0.57 0.00 6.67 4.20 -1.12 -2.74 115.11 122.69 3knl h GLN 6 Ca -0.00 -0.56 -0.03 0.00 0.06 0.00 0.00 58.65 58.12 3knl h GLN 6 Cb 0.17 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3knl h GLN 6 CO 0.00 1.18 -0.15 -0.07 -0.67 0.00 0.00 178.83 179.12 3knl h LEU 7 N 0.17 0.00 -0.01 1.46 3.38 -0.69 0.16 115.31 119.77 3knl h LEU 7 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3knl h LEU 7 Cb 1.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 3knl h LEU 7 CO 0.15 0.15 -0.01 0.58 0.09 0.00 0.00 178.44 179.39 3knl h VAL 8 N 0.00 1.44 0.00 1.22 2.07 -1.30 -2.88 116.25 116.79 3knl h VAL 8 Ca -0.00 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.21 3knl h VAL 8 Cb 0.46 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 3knl h VAL 8 CO 0.02 0.34 0.00 0.54 0.02 0.00 0.00 177.57 178.49 3knl n ARG 9 N -4.80 0.00 0.00 1.57 1.74 -0.88 -4.55 116.66 109.74 3knl n ARG 9 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3knl n ARG 9 Cb 0.29 -0.41 0.00 0.00 -1.02 0.00 0.00 32.46 31.32 3knl n ARG 9 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knl n LYS 10 N 0.00 0.00 0.00 5.56 4.01 0.50 -5.02 118.16 123.21 3knl n LYS 10 Ca 0.00 0.57 0.00 0.00 -0.51 0.00 0.00 58.31 58.37 3knl n LYS 10 Cb 0.00 -1.29 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 3knl n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3knl n GLY 11 N -0.91 1.72 3.84 0.72 0.00 -1.09 -5.00 105.19 104.47 3knl n GLY 11 Ca 0.00 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 3knl n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knl s ARG 12 N -1.99 4.00 -0.50 1.61 1.81 -1.26 -4.94 118.95 117.68 3knl s ARG 12 Ca 0.00 0.50 -0.20 0.00 -1.72 0.00 0.00 55.73 54.31 3knl s ARG 12 Cb 0.00 -3.06 0.05 0.00 -0.45 0.00 0.00 34.95 31.49 3knl s ARG 12 CO 0.00 0.56 0.69 -2.00 -0.68 0.00 0.00 175.30 173.87 3knl s GLU 13 N -1.61 3.20 -0.62 3.54 2.12 -1.26 -4.99 118.70 119.08 3knl s GLU 13 Ca 0.33 -0.63 -0.26 0.00 0.36 0.00 0.00 54.97 54.77 3knl s GLU 13 Cb -0.16 -4.05 -0.06 0.00 0.26 0.00 0.00 34.13 30.12 3knl s GLU 13 CO 0.18 -1.21 2.18 0.21 -0.54 0.00 0.00 175.26 176.08 3knl s LYS 14 N 2.93 2.24 0.00 4.30 2.36 -1.26 -4.91 119.74 125.40 3knl s LYS 14 Ca 0.20 0.83 0.00 0.00 -2.55 0.00 0.00 55.97 54.45 3knl s LYS 14 Cb -0.17 -4.61 0.00 0.00 -1.05 0.00 0.00 37.83 32.01 3knl s LYS 14 CO 0.15 -3.30 0.00 1.33 1.55 0.00 0.00 175.35 175.08 3knl n VAL 15 N 7.85 0.00 -0.12 4.02 0.24 -1.26 -4.98 118.33 124.09 3knl n VAL 15 Ca 0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.63 3knl n VAL 15 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 3knl n VAL 15 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3knl n ARG 16 N -0.23 -0.33 -4.35 7.34 0.63 -1.26 -5.07 116.66 113.40 3knl n ARG 16 Ca 0.00 0.25 -0.26 0.00 -0.92 0.00 0.00 57.85 56.91 3knl n ARG 16 Cb 0.00 -0.29 -0.10 0.00 0.45 0.00 0.00 32.46 32.52 3knl n ARG 16 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3knl s LYS 17 N -5.33 1.86 -0.27 -0.14 -2.85 -1.26 -5.12 119.74 106.63 3knl s LYS 17 Ca 0.00 -1.40 -0.15 0.00 -1.00 0.00 0.00 55.97 53.42 3knl s LYS 17 Cb 0.00 -2.03 -0.04 0.00 -2.06 0.00 0.00 37.83 33.71 3knl s LYS 17 CO 0.00 0.41 0.38 0.15 0.10 0.00 0.00 175.35 176.39 3knl s LYS 18 N -2.87 4.00 -0.56 1.78 3.01 -1.26 -5.01 119.74 118.83 3knl s LYS 18 Ca 0.24 0.04 -0.26 0.00 -1.01 0.00 0.00 55.97 54.98 3knl s LYS 18 Cb -0.08 -3.66 -0.07 0.00 -1.01 0.00 0.00 37.83 33.01 3knl s LYS 18 CO 0.14 -0.29 2.30 0.45 0.51 0.00 0.00 175.35 178.45 3knl s SER 19 N 1.64 4.54 0.00 2.83 0.15 -1.26 -4.76 113.70 116.84 3knl s SER 19 Ca 0.15 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.58 3knl s SER 19 Cb -0.16 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 3knl s SER 19 CO 0.10 -2.91 0.19 1.17 1.20 0.00 0.00 173.24 172.99 3knl n LYS 20 N 9.02 0.00 -3.23 5.44 4.81 -1.26 -4.01 118.16 128.93 3knl n LYS 20 Ca 0.35 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.77 3knl n LYS 20 Cb 0.53 -1.29 -0.03 0.00 0.02 0.00 0.00 35.03 34.26 3knl n LYS 20 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3knl s VAL 21 N -1.49 -0.83 -1.51 3.15 0.11 -1.26 -4.98 120.40 113.59 3knl s VAL 21 Ca 0.00 -0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 58.79 3knl s VAL 21 Cb 0.00 -0.85 -0.08 0.00 -1.53 0.00 0.00 36.38 33.92 3knl s VAL 21 CO 0.00 -0.14 2.81 -2.65 -3.33 0.00 0.00 175.10 171.80 3knl n PRO 22 N 5.20 3.43 0.00 1.54 -0.02 -1.26 -4.47 135.00 139.43 3knl n PRO 22 Ca 0.05 -2.10 0.00 0.00 -2.02 0.00 0.00 63.50 59.43 3knl n PRO 22 Cb 0.52 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3knl n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knl n ALA 23 N 3.76 1.46 -1.64 3.55 0.00 -1.26 -4.83 120.51 121.55 3knl n ALA 23 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.17 3knl n ALA 23 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3knl n ALA 23 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knl n LEU 24 N 0.39 -2.13 -1.65 0.00 7.99 -1.26 -4.15 117.00 116.19 3knl n LEU 24 Ca 0.00 3.12 0.00 0.00 -0.01 0.00 0.00 56.01 59.12 3knl n LEU 24 Cb 0.08 -3.19 0.00 0.00 -0.11 0.00 0.00 43.42 40.20 3knl n LEU 24 CO 0.00 0.09 0.00 1.17 -1.51 0.00 0.00 177.39 177.14 3knl n LYS 25 N -1.40 -1.95 -4.06 3.23 4.81 -1.26 -0.33 118.16 117.20 3knl n LYS 25 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 3knl n LYS 25 Cb 0.14 -3.65 -0.05 0.00 0.02 0.00 0.00 35.03 31.49 3knl n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3knl n GLY 26 N -0.25 -0.43 3.73 3.14 0.00 -1.26 -4.86 105.19 105.26 3knl n GLY 26 Ca 0.00 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3knl n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knl s ALA 27 N -3.05 3.52 0.56 4.61 0.00 0.55 -4.96 121.76 122.99 3knl s ALA 27 Ca 0.66 -0.24 0.34 0.00 0.00 0.00 0.00 51.96 52.73 3knl s ALA 27 Cb -0.37 -2.58 1.46 0.00 0.00 0.00 0.00 23.12 21.63 3knl s ALA 27 CO 0.81 0.06 1.74 -1.35 0.00 0.00 0.00 175.76 177.02 3knl h PRO 28 N 6.51 0.00 -4.03 0.00 0.11 -1.89 -3.42 132.00 129.28 3knl h PRO 28 Ca -0.42 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.56 3knl h PRO 28 Cb 1.18 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.16 3knl h PRO 28 CO 0.74 0.00 -0.38 -0.06 -0.21 0.00 0.00 178.00 178.09 3knl s PHE 29 N -4.79 0.56 -0.18 0.65 0.08 -1.26 -4.75 117.98 108.29 3knl s PHE 29 Ca -0.04 -0.91 -0.08 0.00 0.12 0.00 0.00 56.93 56.02 3knl s PHE 29 Cb 0.20 -0.15 0.07 0.00 -0.57 0.00 0.00 43.02 42.57 3knl s PHE 29 CO 0.70 -0.71 0.40 0.50 -0.10 0.00 0.00 175.22 176.01 3knl s ARG 30 N -4.01 0.35 0.53 0.44 6.06 -1.22 -4.96 118.95 116.13 3knl s ARG 30 Ca 0.22 0.87 -0.15 0.00 -2.50 0.00 0.00 55.73 54.17 3knl s ARG 30 Cb 0.04 0.10 -0.07 0.00 0.06 0.00 0.00 34.95 35.08 3knl s ARG 30 CO 0.03 -0.20 0.98 0.50 -2.50 0.00 0.00 175.30 174.11 3knl s ARG 31 N 1.89 3.87 0.05 5.12 3.52 -1.26 -1.20 118.95 130.93 3knl s ARG 31 Ca -0.06 0.87 -0.27 0.00 -0.13 0.00 0.00 55.73 56.14 3knl s ARG 31 Cb -0.10 -2.15 0.09 0.00 -1.56 0.00 0.00 34.95 31.23 3knl s ARG 31 CO -0.12 -0.31 0.87 0.20 -0.81 0.00 0.00 175.30 175.13 3knl s GLY 32 N -3.29 -0.43 0.22 8.12 0.00 0.20 -1.89 107.32 110.25 3knl s GLY 32 Ca 0.57 0.77 0.06 0.00 0.00 0.00 0.00 44.72 46.12 3knl s GLY 32 CO 0.36 0.25 0.23 0.14 0.00 0.00 0.00 173.10 174.07 3knl s VAL 33 N -3.23 4.71 -0.27 1.40 1.01 0.12 0.15 120.40 124.29 3knl s VAL 33 Ca 0.06 -1.19 -0.10 0.00 0.00 0.00 0.00 61.98 60.74 3knl s VAL 33 Cb -0.01 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3knl s VAL 33 CO -0.07 -0.28 0.17 0.00 0.00 0.00 0.00 175.10 174.91 3knl n THR 35 N 4.90 0.99 -3.83 0.00 -2.24 -1.00 -0.48 114.28 112.62 3knl n THR 35 Ca -0.15 -0.74 -0.12 0.00 -2.27 0.00 0.00 64.05 60.78 3knl n THR 35 Cb 0.52 -0.40 -0.13 0.00 -2.10 0.00 0.00 70.33 68.22 3knl n THR 35 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3knl s VAL 36 N -2.84 -0.00 -0.44 2.28 1.01 -1.22 -4.85 120.40 114.34 3knl s VAL 36 Ca -0.08 0.01 0.08 0.00 0.00 0.00 0.00 61.98 61.99 3knl s VAL 36 Cb 0.09 -0.15 0.27 0.00 0.00 0.00 0.00 36.38 36.59 3knl s VAL 36 CO 0.85 0.01 0.61 0.52 0.00 0.00 0.00 175.10 177.09 3knl n VAL 37 N 3.10 0.09 -3.08 2.92 0.31 -1.26 -0.99 118.33 119.42 3knl n VAL 37 Ca -0.13 -4.38 -0.20 0.00 -0.01 0.00 0.00 64.34 59.61 3knl n VAL 37 Cb 0.59 -1.69 0.06 0.00 -0.91 0.00 0.00 33.84 31.89 3knl n VAL 37 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3knl s ARG 38 N -1.71 2.25 0.28 5.55 3.52 -1.23 -4.93 118.95 122.68 3knl s ARG 38 Ca 0.37 -1.71 0.12 0.00 -0.13 0.00 0.00 55.73 54.38 3knl s ARG 38 Cb 0.20 -2.61 -0.05 0.00 -1.56 0.00 0.00 34.95 30.93 3knl s ARG 38 CO -0.09 -0.91 -0.17 0.95 -0.81 0.00 0.00 175.30 174.27 3knl s THR 39 N -2.71 2.62 0.04 4.11 -4.23 -1.26 -1.75 115.64 112.47 3knl s THR 39 Ca 0.61 -2.33 -0.05 0.00 -1.18 0.00 0.00 61.69 58.74 3knl s THR 39 Cb -0.05 -2.38 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 3knl s THR 39 CO 0.39 -0.39 0.09 0.68 -0.54 0.00 0.00 174.62 174.85 3knl s VAL 40 N -2.46 0.14 0.34 2.29 -7.23 -0.57 -4.94 120.40 107.96 3knl s VAL 40 Ca 0.30 -1.15 -0.11 0.00 -1.81 0.00 0.00 61.98 59.21 3knl s VAL 40 Cb -0.05 -0.97 -0.07 0.00 0.56 0.00 0.00 36.38 35.84 3knl s VAL 40 CO 0.16 -0.64 0.69 0.42 -0.31 0.00 0.00 175.10 175.42 3knl s THR 41 N -2.80 4.82 0.44 5.32 -4.23 -1.26 -1.91 115.64 116.02 3knl s THR 41 Ca -0.03 0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 61.03 3knl s THR 41 Cb -0.00 -3.68 0.09 0.00 1.34 0.00 0.00 72.50 70.25 3knl s THR 41 CO -0.05 -0.33 0.61 -0.81 -0.54 0.00 0.00 174.62 173.49 3knl n PRO 42 N -0.81 -0.11 -2.26 3.99 -0.04 -1.26 -4.89 135.00 129.62 3knl n PRO 42 Ca 0.02 -1.35 -0.27 0.00 -0.04 0.00 0.00 63.50 61.86 3knl n PRO 42 Cb 0.53 -0.50 0.15 0.00 -0.04 0.00 0.00 33.50 33.65 3knl n PRO 42 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3knl s LYS 43 N -4.12 1.10 0.00 0.54 2.20 0.24 -4.86 119.74 114.84 3knl s LYS 43 Ca 0.38 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 3knl s LYS 43 Cb -0.02 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.22 3knl s LYS 43 CO 0.26 -1.97 0.00 1.63 -0.36 0.00 0.00 175.35 174.91 3knl n LYS 44 N -3.32 0.00 -0.04 4.03 5.02 -1.26 -1.37 118.16 121.23 3knl n LYS 44 Ca 0.16 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.54 3knl n LYS 44 Cb 0.60 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.71 3knl n LYS 44 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3knl n PRO 45 N 0.00 1.77 -2.91 1.97 -0.04 -1.26 -5.03 135.00 129.51 3knl n PRO 45 Ca 0.00 -1.73 -0.16 0.00 -0.04 0.00 0.00 63.50 61.57 3knl n PRO 45 Cb 0.00 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 3knl n PRO 45 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3knl n ASN 46 N 1.09 2.04 -3.63 3.54 5.03 -0.47 -5.14 115.26 117.71 3knl n ASN 46 Ca 0.12 -2.18 -0.11 0.00 0.87 0.00 0.00 54.58 53.28 3knl n ASN 46 Cb 0.48 -0.05 -0.07 0.00 -1.02 0.00 0.00 39.78 39.12 3knl n ASN 46 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3knl s SER 47 N -3.07 -0.70 0.00 6.41 0.15 -1.26 -4.74 113.70 110.49 3knl s SER 47 Ca 0.21 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.16 3knl s SER 47 Cb -0.02 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.60 3knl s SER 47 CO 0.14 -0.22 0.00 0.00 1.20 0.00 0.00 173.24 174.36 3knl n ALA 48 N 2.93 0.00 -3.12 5.45 0.00 -1.26 -4.94 120.51 119.57 3knl n ALA 48 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 3knl n ALA 48 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 3knl n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knl n LEU 49 N 0.00 4.39 -4.67 0.00 7.99 -1.26 -4.01 117.00 119.44 3knl n LEU 49 Ca 0.00 -5.57 -0.45 0.00 -0.01 0.00 0.00 56.01 49.98 3knl n LEU 49 Cb 0.00 -0.65 -0.02 0.00 -0.11 0.00 0.00 43.42 42.64 3knl n LEU 49 CO 0.00 2.21 0.94 0.54 -1.51 0.00 0.00 177.39 179.58 3knl n ARG 50 N 0.22 1.96 -3.17 3.23 3.00 -0.80 -4.61 116.66 116.48 3knl n ARG 50 Ca 0.31 0.69 -0.40 0.00 -0.01 0.00 0.00 57.85 58.45 3knl n ARG 50 Cb 0.39 -2.31 -0.06 0.00 0.00 0.00 0.00 32.46 30.48 3knl n ARG 50 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3knl s LYS 51 N -0.78 4.20 0.42 5.56 3.01 -1.26 -1.51 119.74 129.38 3knl s LYS 51 Ca 0.65 0.53 0.00 0.00 -1.01 0.00 0.00 55.97 56.15 3knl s LYS 51 Cb -0.65 -3.58 -0.00 0.00 -1.01 0.00 0.00 37.83 32.59 3knl s LYS 51 CO 0.53 -0.21 0.01 0.28 0.51 0.00 0.00 175.35 176.46 3knl n VAL 52 N 4.67 0.00 -3.15 3.17 0.31 -0.72 -2.20 118.33 120.41 3knl n VAL 52 Ca -0.03 -2.02 0.04 0.00 -0.01 0.00 0.00 64.34 62.32 3knl n VAL 52 Cb 0.50 0.42 -0.01 0.00 -0.91 0.00 0.00 33.84 33.84 3knl n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knl s ALA 53 N -2.75 -2.62 0.26 3.52 0.00 -0.48 -3.51 121.76 116.18 3knl s ALA 53 Ca 0.01 1.56 -0.30 0.00 0.00 0.00 0.00 51.96 53.23 3knl s ALA 53 Cb 0.00 -2.36 -0.10 0.00 0.00 0.00 0.00 23.12 20.66 3knl s ALA 53 CO 0.01 -1.52 1.48 0.15 0.00 0.00 0.00 175.76 175.88 3knl s LYS 54 N 2.88 4.23 -0.01 0.00 1.02 -0.16 -1.25 119.74 126.45 3knl s LYS 54 Ca 0.15 2.37 0.05 0.00 0.02 0.00 0.00 55.97 58.56 3knl s LYS 54 Cb -0.12 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 3knl s LYS 54 CO -0.20 -0.47 -0.16 0.08 -0.92 0.00 0.00 175.35 173.67 3knl s VAL 55 N -0.00 1.27 -0.30 3.17 1.01 0.49 -2.39 120.40 123.65 3knl s VAL 55 Ca 0.60 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 3knl s VAL 55 Cb -0.43 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3knl s VAL 55 CO 0.44 0.35 0.20 -0.60 0.00 0.00 0.00 175.10 175.50 3knl s ARG 56 N -0.39 3.80 0.51 2.72 3.52 0.16 -0.79 118.95 128.47 3knl s ARG 56 Ca 0.06 -0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.24 3knl s ARG 56 Cb -0.06 -3.70 0.02 0.00 -1.56 0.00 0.00 34.95 29.65 3knl s ARG 56 CO -0.01 -0.26 0.73 -0.51 -0.81 0.00 0.00 175.30 174.45 3knl s LEU 57 N 1.74 3.44 -0.02 -0.88 2.01 0.31 0.13 118.68 125.41 3knl s LEU 57 Ca 0.07 0.15 -0.02 0.00 0.01 0.00 0.00 54.13 54.34 3knl s LEU 57 Cb -0.16 -3.03 -0.08 0.00 0.01 0.00 0.00 46.19 42.93 3knl s LEU 57 CO 0.11 -0.95 2.55 0.35 1.01 0.00 0.00 176.35 179.42 3knl n THR 58 N -2.24 2.37 -1.76 5.49 -2.24 -0.79 -3.11 114.28 112.01 3knl n THR 58 Ca 0.05 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3knl n THR 58 Cb 0.59 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 3knl n THR 58 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3knl n SER 59 N 1.79 0.00 0.00 3.42 3.41 -1.26 -5.00 113.62 115.98 3knl n SER 59 Ca 0.16 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 3knl n SER 59 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3knl n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knl n GLY 60 N 0.00 0.76 3.88 5.00 0.00 -1.18 -5.05 105.19 108.61 3knl n GLY 60 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3knl n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knl s TYR 61 N -3.02 3.60 -0.18 1.61 1.51 -1.26 -4.96 117.35 114.65 3knl s TYR 61 Ca 0.00 0.52 0.01 0.00 -1.01 0.00 0.00 57.07 56.59 3knl s TYR 61 Cb 0.00 -1.94 0.03 0.00 -0.11 0.00 0.00 41.96 39.94 3knl s TYR 61 CO 0.00 0.71 -0.13 -2.00 -1.11 0.00 0.00 175.55 173.02 3knl s GLU 62 N -1.24 2.24 0.15 -0.62 2.12 -1.26 -0.53 118.70 119.57 3knl s GLU 62 Ca 0.18 -0.72 -0.02 0.00 0.36 0.00 0.00 54.97 54.77 3knl s GLU 62 Cb -0.12 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.93 3knl s GLU 62 CO 0.08 -0.33 0.10 0.14 -0.54 0.00 0.00 175.26 174.71 3knl s VAL 63 N 1.42 0.07 -0.19 3.70 -7.23 0.03 -4.90 120.40 113.29 3knl s VAL 63 Ca 0.02 -1.90 -0.19 0.00 -1.81 0.00 0.00 61.98 58.10 3knl s VAL 63 Cb -0.14 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 3knl s VAL 63 CO -0.10 -0.32 0.54 0.42 -0.31 0.00 0.00 175.10 175.34 3knl s THR 64 N -4.07 5.09 0.04 5.32 -4.23 -1.26 0.18 115.64 116.71 3knl s THR 64 Ca 0.28 1.01 0.05 0.00 -1.18 0.00 0.00 61.69 61.85 3knl s THR 64 Cb 0.07 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 3knl s THR 64 CO 0.05 0.17 -0.10 0.00 -0.54 0.00 0.00 174.62 174.20 3knl s ALA 65 N 1.64 2.92 0.24 3.99 0.00 -0.38 -4.09 121.76 126.08 3knl s ALA 65 Ca 0.25 -1.12 -0.17 0.00 0.00 0.00 0.00 51.96 50.92 3knl s ALA 65 Cb -0.16 -0.98 -0.08 0.00 0.00 0.00 0.00 23.12 21.90 3knl s ALA 65 CO 0.10 0.62 0.69 -0.47 0.00 0.00 0.00 175.76 176.69 3knl s TYR 66 N -1.05 3.55 -0.64 0.00 5.04 -0.43 -1.38 117.35 122.44 3knl s TYR 66 Ca 0.18 1.26 -0.12 0.00 -2.44 0.00 0.00 57.07 55.95 3knl s TYR 66 Cb -0.11 -2.54 0.17 0.00 0.35 0.00 0.00 41.96 39.83 3knl s TYR 66 CO 0.09 0.28 0.56 0.42 -1.34 0.00 0.00 175.55 175.56 3knl s ILE 67 N -1.65 4.90 0.54 3.14 1.01 -0.93 -0.29 121.20 127.92 3knl s ILE 67 Ca 0.45 -2.15 -0.22 0.00 0.00 0.00 0.00 60.65 58.73 3knl s ILE 67 Cb -0.14 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 3knl s ILE 67 CO 0.20 -0.91 1.35 -2.84 0.00 0.00 0.00 174.94 172.74 3knl s PRO 68 N 0.75 3.15 0.00 2.79 0.02 -1.26 -4.79 135.00 135.66 3knl s PRO 68 Ca 0.11 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3knl s PRO 68 Cb -0.20 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.06 3knl s PRO 68 CO -0.03 -1.18 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 3knl n GLY 69 N 0.72 1.33 3.45 0.52 0.00 -1.26 -4.92 105.19 105.02 3knl n GLY 69 Ca 0.10 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 3knl n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knl s GLU 70 N -1.66 2.98 0.03 1.61 2.12 -1.26 -4.86 118.70 117.66 3knl s GLU 70 Ca 0.00 -1.05 0.00 0.00 0.36 0.00 0.00 54.97 54.28 3knl s GLU 70 Cb 0.00 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.39 3knl s GLU 70 CO 0.00 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.33 3knl n GLY 71 N 5.16 -3.84 0.00 -1.50 0.00 -1.26 -4.76 105.19 98.99 3knl n GLY 71 Ca -0.11 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3knl n GLY 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3knl n HIS 72 N 0.47 -0.03 -2.73 1.61 1.44 -1.26 -4.72 115.22 110.00 3knl n HIS 72 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 3knl n HIS 72 Cb 0.00 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.21 3knl n HIS 72 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3knl n ASN 73 N -0.05 -1.99 -4.21 4.39 6.94 -1.26 -5.08 115.26 113.99 3knl n ASN 73 Ca 0.00 -3.12 -0.26 0.00 -0.02 0.00 0.00 54.58 51.18 3knl n ASN 73 Cb 0.00 1.42 -0.15 0.00 -2.36 0.00 0.00 39.78 38.69 3knl n ASN 73 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3knl s LEU 74 N -2.70 2.08 0.28 -4.53 1.43 -1.26 -4.76 118.68 109.22 3knl s LEU 74 Ca 0.23 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3knl s LEU 74 Cb 0.34 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 3knl s LEU 74 CO -0.07 0.21 0.27 -1.10 0.23 0.00 0.00 176.35 175.90 3knl s GLN 75 N -0.68 1.58 0.06 1.70 -0.21 -1.26 -4.92 119.66 115.91 3knl s GLN 75 Ca 0.07 -1.79 -0.31 0.00 0.02 0.00 0.00 55.36 53.35 3knl s GLN 75 Cb -0.08 0.34 -0.10 0.00 1.00 0.00 0.00 33.01 34.16 3knl s GLN 75 CO 0.00 -0.58 1.89 -1.91 -2.12 0.00 0.00 175.29 172.56 3knl n GLU 76 N -0.47 2.69 -0.28 2.91 2.13 -1.26 -0.87 120.64 125.49 3knl n GLU 76 Ca 0.04 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.84 3knl n GLU 76 Cb 0.63 -2.89 0.00 0.00 0.27 0.00 0.00 31.44 29.46 3knl n GLU 76 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3knl n HIS 77 N 6.43 0.00 -3.05 4.31 8.25 0.37 -4.98 115.22 126.56 3knl n HIS 77 Ca 0.20 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.24 3knl n HIS 77 Cb 0.37 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.42 3knl n HIS 77 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3knl s SER 78 N -2.13 6.63 -0.03 0.41 0.01 -0.05 -4.78 113.70 113.77 3knl s SER 78 Ca 0.00 0.74 -0.30 0.00 1.31 0.00 0.00 55.95 57.70 3knl s SER 78 Cb 0.00 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 3knl s SER 78 CO 0.00 -0.44 1.10 -0.69 0.41 0.00 0.00 173.24 173.62 3knl s VAL 79 N 2.64 4.49 0.37 3.43 1.01 -1.26 -2.43 120.40 128.64 3knl s VAL 79 Ca 0.29 1.78 0.07 0.00 0.00 0.00 0.00 61.98 64.12 3knl s VAL 79 Cb -0.15 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 3knl s VAL 79 CO 0.09 0.06 0.25 0.52 0.00 0.00 0.00 175.10 176.02 3knl n VAL 80 N 4.28 0.00 -4.33 2.92 0.31 0.39 -1.04 118.33 120.86 3knl n VAL 80 Ca 0.09 -2.50 -0.29 0.00 -0.01 0.00 0.00 64.34 61.63 3knl n VAL 80 Cb 0.48 1.14 -0.12 0.00 -0.91 0.00 0.00 33.84 34.43 3knl n VAL 80 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3knl s LEU 81 N 0.00 2.61 0.14 7.52 0.20 -1.26 0.62 118.68 128.51 3knl s LEU 81 Ca 0.35 -0.63 0.08 0.00 0.69 0.00 0.00 54.13 54.62 3knl s LEU 81 Cb 0.02 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.28 3knl s LEU 81 CO 0.25 0.17 -0.10 -0.63 -0.29 0.00 0.00 176.35 175.75 3knl s ILE 82 N -1.20 3.27 0.00 6.68 -1.09 -0.34 -1.81 121.20 126.71 3knl s ILE 82 Ca 0.18 -1.46 0.00 0.00 -2.23 0.00 0.00 60.65 57.14 3knl s ILE 82 Cb -0.10 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 3knl s ILE 82 CO 0.09 0.01 0.00 -1.14 -1.23 0.00 0.00 174.94 172.67 3knl n ARG 83 N 0.39 1.25 -0.10 2.79 0.63 0.15 -3.42 116.66 118.35 3knl n ARG 83 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 3knl n ARG 83 Cb 0.54 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 32.51 3knl n ARG 83 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3knl n GLY 84 N 2.25 -3.25 0.00 5.14 0.00 -1.26 -4.85 105.19 103.22 3knl n GLY 84 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3knl n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knl n GLY 85 N -0.72 3.93 3.90 -0.02 0.00 -0.47 -4.50 105.19 107.32 3knl n GLY 85 Ca 0.00 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 3knl n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3knl s ARG 86 N -3.59 3.16 -0.84 1.61 1.04 -1.24 -3.13 118.95 115.97 3knl s ARG 86 Ca 0.00 0.22 0.00 0.00 -1.04 0.00 0.00 55.73 54.92 3knl s ARG 86 Cb 0.00 -2.23 0.21 0.00 -2.04 0.00 0.00 34.95 30.89 3knl s ARG 86 CO 0.00 -0.61 0.72 0.28 -0.04 0.00 0.00 175.30 175.65 3knl n VAL 87 N -2.59 2.66 -0.05 4.99 0.31 -1.13 -4.96 118.33 117.56 3knl n VAL 87 Ca 0.04 -5.07 0.01 0.00 -0.01 0.00 0.00 64.34 59.31 3knl n VAL 87 Cb 0.56 -2.31 0.02 0.00 -0.91 0.00 0.00 33.84 31.20 3knl n VAL 87 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3knl n LYS 88 N 2.13 -0.02 0.25 5.55 3.00 -1.26 0.15 118.16 127.96 3knl n LYS 88 Ca 0.22 0.23 0.10 0.00 -0.00 0.00 0.00 58.31 58.85 3knl n LYS 88 Cb 0.36 -0.34 0.65 0.00 0.00 0.00 0.00 35.03 35.70 3knl n LYS 88 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3knl h ASP 89 N 0.00 0.00 -2.66 3.14 5.19 -1.97 -3.33 116.42 116.79 3knl h ASP 89 Ca 0.07 0.00 -0.70 0.00 -0.62 0.00 0.00 57.03 55.78 3knl h ASP 89 Cb 0.10 0.00 -0.35 0.00 0.18 0.00 0.00 39.33 39.26 3knl h ASP 89 CO -0.15 0.14 0.03 0.18 -3.12 0.00 0.00 179.24 176.31 3knl n LEU 90 N -3.95 4.87 -2.16 1.55 4.77 0.40 0.79 117.00 123.27 3knl n LEU 90 Ca -0.02 -5.31 -0.30 0.00 -0.03 0.00 0.00 56.01 50.36 3knl n LEU 90 Cb 0.23 -0.98 -0.04 0.00 -2.33 0.00 0.00 43.42 40.30 3knl n LEU 90 CO 0.33 1.83 0.39 -2.65 -1.33 0.00 0.00 177.39 175.96 3knl n PRO 91 N 1.27 0.00 0.00 3.23 -0.02 -1.25 -1.56 135.00 136.67 3knl n PRO 91 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3knl n PRO 91 Cb 0.37 -0.70 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 3knl n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knl n GLY 92 N 1.23 2.85 3.61 -1.23 0.00 -1.26 -4.99 105.19 105.39 3knl n GLY 92 Ca 0.12 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 3knl n GLY 92 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knl n VAL 93 N 0.00 0.46 0.01 1.61 0.31 -0.60 -4.76 118.33 115.36 3knl n VAL 93 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3knl n VAL 93 Cb 0.00 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 30.53 3knl n VAL 93 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3knl n ARG 94 N 8.28 0.33 -3.79 5.55 1.74 -1.26 -2.86 116.66 124.67 3knl n ARG 94 Ca 0.28 -0.85 -0.14 0.00 -0.77 0.00 0.00 57.85 56.37 3knl n ARG 94 Cb 0.41 -1.01 -0.15 0.00 -1.02 0.00 0.00 32.46 30.69 3knl n ARG 94 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3knl s TYR 95 N -0.35 -0.02 0.33 -1.55 1.51 -1.18 -1.36 117.35 114.72 3knl s TYR 95 Ca 0.01 0.18 -0.04 0.00 -1.01 0.00 0.00 57.07 56.20 3knl s TYR 95 Cb 0.00 -0.15 -0.05 0.00 -0.11 0.00 0.00 41.96 41.66 3knl s TYR 95 CO 0.01 -0.08 0.59 -1.01 -1.11 0.00 0.00 175.55 173.94 3knl s HIS 96 N 0.82 3.49 0.18 2.71 3.76 -1.23 -1.31 115.29 123.70 3knl s HIS 96 Ca -0.07 0.63 -0.06 0.00 -0.15 0.00 0.00 55.06 55.41 3knl s HIS 96 Cb -0.09 -2.11 -0.06 0.00 1.11 0.00 0.00 32.58 31.43 3knl s HIS 96 CO -0.03 0.10 0.44 0.42 -0.85 0.00 0.00 174.74 174.83 3knl s ILE 97 N -2.21 5.08 -0.47 0.60 1.01 0.60 -0.67 121.20 125.15 3knl s ILE 97 Ca 0.44 0.18 -0.23 0.00 0.00 0.00 0.00 60.65 61.04 3knl s ILE 97 Cb -0.10 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.77 3knl s ILE 97 CO 0.33 -0.02 0.80 -0.69 0.00 0.00 0.00 174.94 175.36 3knl s VAL 98 N -1.73 4.62 0.24 2.92 1.01 -0.75 -4.58 120.40 122.13 3knl s VAL 98 Ca 0.43 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 3knl s VAL 98 Cb -0.12 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.82 3knl s VAL 98 CO 0.24 -0.79 1.25 -0.13 0.00 0.00 0.00 175.10 175.67 3knl s ARG 99 N 3.35 4.44 0.00 2.72 1.81 -1.26 -3.00 118.95 127.01 3knl s ARG 99 Ca 0.29 2.01 0.00 0.00 -1.72 0.00 0.00 55.73 56.31 3knl s ARG 99 Cb -0.13 -3.18 0.00 0.00 -0.45 0.00 0.00 34.95 31.20 3knl s ARG 99 CO 0.21 -0.13 0.00 0.41 -0.68 0.00 0.00 175.30 175.11 3knl n GLY 100 N 1.81 0.58 2.92 -3.53 0.00 -0.74 -3.33 105.19 102.91 3knl n GLY 100 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 3knl n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knl s VAL 101 N -2.08 0.96 0.00 1.61 1.01 -0.80 -4.86 120.40 116.24 3knl s VAL 101 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3knl s VAL 101 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.41 3knl s VAL 101 CO 0.00 0.35 0.00 -1.22 0.00 0.00 0.00 175.10 174.23 3knl n TYR 102 N 4.68 0.00 1.00 5.22 0.53 -1.26 -3.56 117.16 123.77 3knl n TYR 102 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.73 3knl n TYR 102 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.82 3knl n TYR 102 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3knl n ASP 103 N 4.97 0.92 -3.93 7.72 8.00 -0.20 -4.61 116.55 129.41 3knl n ASP 103 Ca 0.00 -1.91 -0.29 0.00 0.71 0.00 0.00 54.79 53.30 3knl n ASP 103 Cb 0.00 -0.46 -0.16 0.00 -0.02 0.00 0.00 41.12 40.48 3knl n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knl s ALA 104 N -1.04 1.64 0.29 2.24 0.00 -1.23 -4.76 121.76 118.90 3knl s ALA 104 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.08 3knl s ALA 104 Cb 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 3knl s ALA 104 CO 0.00 -0.73 0.45 0.00 0.00 0.00 0.00 175.76 175.48 3knl s ALA 105 N 1.56 3.87 0.61 0.00 0.00 -1.26 -1.78 121.76 124.76 3knl s ALA 105 Ca 0.01 -1.13 -0.15 0.00 0.00 0.00 0.00 51.96 50.68 3knl s ALA 105 Cb -0.15 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 3knl s ALA 105 CO -0.08 0.10 1.07 0.20 0.00 0.00 0.00 175.76 177.05 3knl s GLY 106 N -4.02 2.12 -0.18 0.00 0.00 -1.24 -4.08 107.32 99.92 3knl s GLY 106 Ca 0.37 0.43 -0.37 0.00 0.00 0.00 0.00 44.72 45.15 3knl s GLY 106 CO 0.32 0.76 1.79 -0.62 0.00 0.00 0.00 173.10 175.35 3knl n VAL 107 N -2.17 0.41 -1.34 1.40 0.31 -1.24 -4.88 118.33 110.83 3knl n VAL 107 Ca 0.09 -0.07 -0.31 0.00 -0.01 0.00 0.00 64.34 64.03 3knl n VAL 107 Cb 0.53 -1.51 0.08 0.00 -0.91 0.00 0.00 33.84 32.03 3knl n VAL 107 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3knl s LYS 108 N 3.66 2.34 0.00 5.55 2.20 -1.26 -3.41 119.74 128.82 3knl s LYS 108 Ca 0.95 1.20 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 3knl s LYS 108 Cb -0.90 -1.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 3knl s LYS 108 CO 0.59 -1.58 0.00 -0.25 -0.36 0.00 0.00 175.35 173.74 3knl n ASP 109 N -3.35 0.00 -4.08 1.43 10.43 -1.26 -4.93 116.55 114.78 3knl n ASP 109 Ca 0.09 0.00 -0.58 0.00 2.57 0.00 0.00 54.79 56.87 3knl n ASP 109 Cb 0.53 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 43.40 3knl n ASP 109 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3knl n ARG 110 N 0.00 0.00 -0.13 -1.24 3.00 -1.22 -4.89 116.66 112.19 3knl n ARG 110 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 3knl n ARG 110 Cb 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 32.46 31.07 3knl n ARG 110 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3knl n LYS 111 N 3.30 0.57 -0.03 -0.14 4.76 -1.26 -4.89 118.16 120.48 3knl n LYS 111 Ca 0.26 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 3knl n LYS 111 Cb -0.04 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 3knl n LYS 111 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3knl n LYS 112 N -3.72 0.90 0.00 1.97 5.02 -1.26 -4.63 118.16 116.44 3knl n LYS 112 Ca -0.47 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.82 3knl n LYS 112 Cb 0.90 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.91 3knl n LYS 112 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3knl n SER 113 N -0.81 0.00 0.06 4.39 7.64 -1.26 -4.66 113.62 118.98 3knl n SER 113 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 3knl n SER 113 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 3knl n SER 113 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3knl h ARG 114 N 0.00 0.04 -0.11 1.43 3.08 -1.88 -3.34 114.38 113.60 3knl h ARG 114 Ca 0.00 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3knl h ARG 114 Cb 0.00 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3knl h ARG 114 CO 0.00 1.02 -0.20 1.03 -1.07 0.00 0.00 179.97 180.74 3knl h SER 115 N 0.01 -0.67 -3.93 7.04 0.87 -1.83 -1.67 113.55 113.38 3knl h SER 115 Ca -0.04 0.08 -0.53 0.00 -1.23 0.00 0.00 61.79 60.08 3knl h SER 115 Cb 1.81 0.27 0.08 0.00 -0.44 0.00 0.00 62.40 64.11 3knl h SER 115 CO 0.14 -0.16 0.63 -0.54 -0.53 0.00 0.00 176.83 176.37 3knl s LYS 116 N -3.97 4.10 -0.47 2.24 1.02 -1.25 -1.68 119.74 119.72 3knl s LYS 116 Ca -0.05 2.19 -0.00 0.00 0.02 0.00 0.00 55.97 58.13 3knl s LYS 116 Cb 0.03 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 3knl s LYS 116 CO 0.22 -0.39 0.01 0.66 -0.92 0.00 0.00 175.35 174.93 3knl n TYR 117 N 0.36 -0.27 -0.62 3.18 4.02 -1.25 -4.58 117.16 117.99 3knl n TYR 117 Ca 0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3knl n TYR 117 Cb 0.43 -1.80 0.00 0.00 -0.02 0.00 0.00 39.34 37.95 3knl n TYR 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knl n GLY 118 N -1.00 0.00 3.84 2.72 0.00 -0.68 -3.60 105.19 106.47 3knl n GLY 118 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3knl n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3knl s THR 119 N -0.73 4.84 0.00 2.61 2.01 -0.67 -3.63 115.64 120.07 3knl s THR 119 Ca 0.00 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.25 3knl s THR 119 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 69.11 3knl s THR 119 CO 0.00 0.03 0.00 0.29 -0.69 0.00 0.00 174.62 174.25 3knl n LYS 120 N 0.06 0.00 -3.14 4.92 4.76 -1.26 -4.60 118.16 118.90 3knl n LYS 120 Ca -0.07 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.41 3knl n LYS 120 Cb 0.53 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.72 3knl n LYS 120 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3knl s LYS 121 N 0.00 0.45 1.17 1.97 2.47 -1.26 -4.90 119.74 119.64 3knl s LYS 121 Ca 0.00 0.36 -0.17 0.00 -1.56 0.00 0.00 55.97 54.60 3knl s LYS 121 Cb 0.00 0.18 0.20 0.00 -1.46 0.00 0.00 37.83 36.76 3knl s LYS 121 CO 0.00 -0.82 0.41 -0.35 0.16 0.00 0.00 175.35 174.74 3knl n PRO 122 N 5.21 -2.47 -4.49 4.03 -0.04 -1.26 -5.03 135.00 130.95 3knl n PRO 122 Ca 0.07 -0.71 -0.24 0.00 -0.04 0.00 0.00 63.50 62.57 3knl n PRO 122 Cb 0.56 -1.79 -0.09 0.00 -0.04 0.00 0.00 33.50 32.14 3knl n PRO 122 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3knl s LYS 123 N -3.89 1.83 -1.12 0.54 2.47 -1.26 -5.05 119.74 113.26 3knl s LYS 123 Ca 0.57 -2.09 -0.22 0.00 -1.56 0.00 0.00 55.97 52.67 3knl s LYS 123 Cb -0.14 -0.67 -0.04 0.00 -1.46 0.00 0.00 37.83 35.52 3knl s LYS 123 CO 0.59 -0.39 1.87 -1.21 0.16 0.00 0.00 175.35 176.36 3knl s GLU 124 N -3.78 2.83 -0.25 4.03 0.41 -1.26 -4.93 118.70 115.74 3knl s GLU 124 Ca 0.28 -1.07 -0.13 0.00 -0.41 0.00 0.00 54.97 53.64 3knl s GLU 124 Cb 0.04 -5.25 -0.05 0.00 -1.78 0.00 0.00 34.13 27.10 3knl s GLU 124 CO 0.14 -3.42 0.26 0.00 -0.49 0.00 0.00 175.26 171.75 3knl s ALA 125 N 9.25 3.57 0.00 5.21 0.00 -1.26 -5.37 121.76 133.16 3knl s ALA 125 Ca 0.65 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3knl s ALA 125 Cb -0.01 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.59 3knl s ALA 125 CO 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 175.76 175.40