#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3koq h PHE 3 N 0.00 0.58 -0.23 -2.53 3.57 -2.05 -1.97 116.94 114.30 3koq h PHE 3 Ca 0.00 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 3koq h PHE 3 Cb 0.00 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3koq h PHE 3 CO 0.00 0.27 -0.19 -0.24 -2.23 0.00 0.00 178.31 175.92 3koq h VAL 4 N 0.59 1.24 -0.27 1.41 3.04 -2.05 -0.41 116.25 119.80 3koq h VAL 4 Ca 0.27 -1.09 -0.13 0.00 -1.01 0.00 0.00 66.70 64.74 3koq h VAL 4 Cb 0.19 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 3koq h VAL 4 CO -0.19 0.35 -0.38 -0.33 -1.01 0.00 0.00 177.57 176.02 3koq h GLU 5 N 0.37 0.62 -0.15 4.17 5.08 -1.87 -0.38 114.58 122.42 3koq h GLU 5 Ca 0.06 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3koq h GLU 5 Cb 0.55 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3koq h GLU 5 CO 0.04 0.89 0.06 1.25 -1.00 0.00 0.00 179.01 180.25 3koq h LEU 6 N 0.51 0.20 -0.73 1.33 5.85 -0.90 -0.73 115.31 120.85 3koq h LEU 6 Ca 0.05 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 3koq h LEU 6 Cb 0.88 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3koq h LEU 6 CO 0.08 0.29 -0.08 0.00 -0.34 0.00 0.00 178.44 178.39 3koq h ALA 7 N 0.92 0.93 -0.55 1.25 0.00 -0.91 -2.17 119.26 118.72 3koq h ALA 7 Ca 0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3koq h ALA 7 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3koq h ALA 7 CO -0.00 0.63 -0.05 0.87 0.00 0.00 0.00 179.25 180.70 3koq h LYS 8 N 0.81 0.98 0.00 0.00 1.57 -1.03 -3.22 116.57 115.68 3koq h LYS 8 Ca 0.14 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 3koq h LYS 8 Cb 0.59 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3koq h LYS 8 CO 0.04 0.99 -0.42 1.57 -0.57 0.00 0.00 179.45 181.06 3koq h LYS 9 N 0.89 0.00 -6.66 3.15 2.10 -0.84 -3.39 116.57 111.82 3koq h LYS 9 Ca 0.15 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.28 3koq h LYS 9 Cb 0.59 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 31.97 3koq h LYS 9 CO 0.04 0.42 0.95 0.50 -2.00 0.00 0.00 179.45 179.36 3koq s ARG 10 N -3.13 4.16 0.22 0.07 3.52 -0.84 -4.85 118.95 118.10 3koq s ARG 10 Ca 0.03 2.52 -0.02 0.00 -0.13 0.00 0.00 55.73 58.13 3koq s ARG 10 Cb 0.08 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.35 3koq s ARG 10 CO 0.72 -0.68 0.21 1.52 -0.81 0.00 0.00 175.30 176.26 3koq s TYR 11 N 0.97 1.09 -0.34 5.12 1.13 -1.26 -4.99 117.35 119.07 3koq s TYR 11 Ca 0.71 -1.30 -0.23 0.00 -1.41 0.00 0.00 57.07 54.84 3koq s TYR 11 Cb -0.47 -0.44 0.00 0.00 -1.10 0.00 0.00 41.96 39.95 3koq s TYR 11 CO 0.34 -0.74 0.79 -1.12 -2.51 0.00 0.00 175.55 172.32 3koq s SER 12 N -3.16 6.61 -0.17 -0.18 0.01 -1.26 -4.41 113.70 111.14 3koq s SER 12 Ca 0.36 0.52 -0.11 0.00 1.31 0.00 0.00 55.95 58.03 3koq s SER 12 Cb 0.05 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 3koq s SER 12 CO 0.13 -0.68 0.18 0.00 0.41 0.00 0.00 173.24 173.28 3koq n ARG 14 N 3.25 0.97 -3.66 0.00 1.74 -1.26 -4.30 116.66 113.39 3koq n ARG 14 Ca -0.16 -1.97 -0.08 0.00 -0.77 0.00 0.00 57.85 54.87 3koq n ARG 14 Cb 0.52 -1.14 -0.09 0.00 -1.02 0.00 0.00 32.46 30.73 3koq n ARG 14 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3koq s ASN 15 N -2.11 -0.35 0.10 0.55 3.84 -1.26 -4.87 114.94 110.85 3koq s ASN 15 Ca 0.19 1.02 0.09 0.00 0.21 0.00 0.00 52.86 54.37 3koq s ASN 15 Cb 0.17 1.32 -0.04 0.00 -0.55 0.00 0.00 41.25 42.15 3koq s ASN 15 CO 0.02 -0.23 -0.22 -0.31 -2.79 0.00 0.00 177.10 173.57 3koq s TYR 16 N 2.44 1.93 1.11 0.43 2.02 -1.26 -1.71 117.35 122.31 3koq s TYR 16 Ca -0.03 -0.41 -0.13 0.00 -0.37 0.00 0.00 57.07 56.13 3koq s TYR 16 Cb -0.11 -1.06 0.25 0.00 -0.40 0.00 0.00 41.96 40.64 3koq s TYR 16 CO -0.13 0.23 1.05 -0.65 -1.57 0.00 0.00 175.55 174.48 3koq s GLN 17 N -1.88 -0.50 0.37 -0.62 -0.21 0.12 -4.69 119.66 112.25 3koq s GLN 17 Ca 0.08 0.61 0.17 0.00 0.02 0.00 0.00 55.36 56.24 3koq s GLN 17 Cb -0.10 -1.62 0.72 0.00 1.00 0.00 0.00 33.01 33.01 3koq s GLN 17 CO 0.04 -3.38 1.77 -0.44 -2.12 0.00 0.00 175.29 171.16 3koq h ASP 18 N -2.37 0.00 -1.51 5.90 3.32 -1.93 -3.44 116.42 116.39 3koq h ASP 18 Ca -0.59 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 55.74 3koq h ASP 18 Cb 1.34 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.92 3koq h ASP 18 CO 0.53 0.39 0.57 -1.14 -1.72 0.00 0.00 179.24 177.88 3koq n ARG 19 N -3.74 0.94 -1.78 3.56 0.63 -1.26 -4.92 116.66 110.09 3koq n ARG 19 Ca -0.01 0.34 -0.32 0.00 -0.92 0.00 0.00 57.85 56.94 3koq n ARG 19 Cb 0.47 -1.97 0.03 0.00 0.45 0.00 0.00 32.46 31.44 3koq n ARG 19 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3koq s LYS 20 N 1.62 3.07 -0.08 -0.14 -0.14 -1.26 -4.57 119.74 118.23 3koq s LYS 20 Ca 0.91 1.10 -0.30 0.00 -1.36 0.00 0.00 55.97 56.33 3koq s LYS 20 Cb -1.07 -2.00 -0.02 0.00 -1.68 0.00 0.00 37.83 33.06 3koq s LYS 20 CO 0.57 -1.00 1.00 0.08 -0.76 0.00 0.00 175.35 175.23 3koq s VAL 21 N -2.73 4.81 0.37 3.17 1.01 -1.26 -5.00 120.40 120.76 3koq s VAL 21 Ca 0.61 2.04 -0.28 0.00 0.00 0.00 0.00 61.98 64.35 3koq s VAL 21 Cb -0.15 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.81 3koq s VAL 21 CO 0.46 0.05 1.42 -1.61 0.00 0.00 0.00 175.10 175.42 3koq s GLU 22 N 1.75 4.16 0.30 2.72 8.01 -1.26 -4.86 118.70 129.52 3koq s GLU 22 Ca 0.49 2.44 0.07 0.00 0.01 0.00 0.00 54.97 57.97 3koq s GLU 22 Cb -0.19 -2.97 0.80 0.00 -4.31 0.00 0.00 34.13 27.46 3koq s GLU 22 CO 0.20 -0.44 1.72 -0.22 0.01 0.00 0.00 175.26 176.53 3koq h LYS 23 N 3.07 0.49 -0.47 1.61 3.64 -1.99 -1.70 116.57 121.21 3koq h LYS 23 Ca -0.50 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 3koq h LYS 23 Cb 1.24 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3koq h LYS 23 CO 0.64 0.32 0.09 0.93 -2.27 0.00 0.00 179.45 179.17 3koq h GLU 24 N 0.51 0.71 -0.02 1.90 3.07 -2.00 -0.83 114.58 117.91 3koq h GLU 24 Ca 0.60 -0.14 -0.23 0.00 -0.50 0.00 0.00 59.36 59.08 3koq h GLU 24 Cb 1.13 -0.11 0.02 0.00 -0.84 0.00 0.00 28.75 28.95 3koq h GLU 24 CO -0.49 0.67 -0.89 0.87 -1.40 0.00 0.00 179.01 177.76 3koq h LYS 25 N 0.69 0.65 -0.48 2.33 1.57 -1.71 -3.06 116.57 116.55 3koq h LYS 25 Ca 0.15 -0.66 0.06 0.00 -1.87 0.00 0.00 60.65 58.33 3koq h LYS 25 Cb 0.30 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 3koq h LYS 25 CO 0.00 1.26 0.18 1.25 -0.57 0.00 0.00 179.45 181.57 3koq h LEU 26 N 0.29 0.20 -1.08 2.94 5.85 -1.01 -1.81 115.31 120.69 3koq h LEU 26 Ca -0.11 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3koq h LEU 26 Cb 1.56 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.57 3koq h LEU 26 CO 0.18 0.15 0.62 -0.33 -0.34 0.00 0.00 178.44 178.72 3koq h GLU 27 N 0.36 1.22 -0.43 1.25 5.08 -1.19 0.15 114.58 121.02 3koq h GLU 27 Ca 0.22 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3koq h GLU 27 Cb 0.22 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3koq h GLU 27 CO -0.22 0.81 -0.12 0.87 -1.00 0.00 0.00 179.01 179.35 3koq h LYS 28 N 1.26 0.79 -0.15 2.33 1.57 -1.33 -0.49 116.57 120.56 3koq h LYS 28 Ca 0.35 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3koq h LYS 28 Cb -0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3koq h LYS 28 CO -0.08 0.88 0.06 0.28 -0.57 0.00 0.00 179.45 180.02 3koq h VAL 29 N 0.71 1.15 -0.60 0.50 2.07 -0.37 -2.82 116.25 116.90 3koq h VAL 29 Ca 0.12 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3koq h VAL 29 Cb 0.61 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3koq h VAL 29 CO 0.04 0.14 0.26 -0.07 0.02 0.00 0.00 177.57 177.96 3koq h LEU 30 N 0.08 0.79 -0.94 2.57 3.38 -0.60 -3.01 115.31 117.59 3koq h LEU 30 Ca 0.05 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.04 3koq h LEU 30 Cb 0.16 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 3koq h LEU 30 CO -0.00 0.69 0.57 0.44 0.09 0.00 0.00 178.44 180.23 3koq h ASP 31 N 0.86 0.83 1.19 -0.43 3.32 -0.82 -1.39 116.42 119.97 3koq h ASP 31 Ca 0.21 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3koq h ASP 31 Cb 0.14 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3koq h ASP 31 CO -0.02 0.45 0.00 -0.37 -1.72 0.00 0.00 179.24 177.57 3koq h VAL 32 N 0.91 0.00 -0.42 -1.35 -1.51 -1.51 -2.46 116.25 109.92 3koq h VAL 32 Ca 0.46 -0.48 -0.02 0.00 -1.23 0.00 0.00 66.70 65.43 3koq h VAL 32 Cb 0.45 1.39 -0.02 0.00 -2.13 0.00 0.00 31.29 30.97 3koq h VAL 32 CO -0.26 0.00 0.15 0.00 -1.23 0.00 0.00 177.57 176.23 3koq h ALA 33 N 2.23 1.49 0.17 5.19 0.00 -1.32 -1.78 119.26 125.23 3koq h ALA 33 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.48 3koq h ALA 33 Cb 0.59 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.23 3koq h ALA 33 CO 0.00 0.39 -1.32 -0.09 0.00 0.00 0.00 179.25 178.24 3koq h ARG 34 N 0.59 0.45 -0.44 0.00 2.43 -1.46 -3.36 114.38 112.59 3koq h ARG 34 Ca 0.14 -0.71 -0.06 0.00 -0.81 0.00 0.00 59.98 58.54 3koq h ARG 34 Cb 0.14 0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3koq h ARG 34 CO -0.01 1.33 0.04 0.82 -1.51 0.00 0.00 179.97 180.64 3koq h ILE 35 N 0.15 1.22 -2.99 1.20 1.08 -1.32 -3.45 117.51 113.40 3koq h ILE 35 Ca -0.19 -0.85 -0.58 0.00 -0.39 0.00 0.00 64.86 62.85 3koq h ILE 35 Cb 2.01 0.84 0.13 0.00 -3.07 0.00 0.00 36.82 36.74 3koq h ILE 35 CO 0.24 0.30 0.12 0.00 -0.69 0.00 0.00 178.15 178.12 3koq n ALA 36 N -2.47 0.04 -1.88 1.87 0.00 -0.68 -4.99 120.51 112.40 3koq n ALA 36 Ca 0.02 0.23 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 3koq n ALA 36 Cb 0.25 -2.06 -0.01 0.00 0.00 0.00 0.00 19.45 17.63 3koq n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3koq s PRO 37 N -1.98 3.77 0.03 0.00 0.04 -1.26 -5.02 135.00 130.58 3koq s PRO 37 Ca 0.63 0.82 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 3koq s PRO 37 Cb -0.56 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 3koq s PRO 37 CO 0.57 -0.40 0.07 0.95 0.04 0.00 0.00 177.00 178.22 3koq s THR 38 N -2.88 0.13 0.01 1.26 -4.23 -1.26 -4.77 115.64 103.91 3koq s THR 38 Ca 0.57 -1.07 -0.34 0.00 -1.18 0.00 0.00 61.69 59.67 3koq s THR 38 Cb -0.10 -0.77 -0.12 0.00 1.34 0.00 0.00 72.50 72.84 3koq s THR 38 CO 0.42 -0.59 1.80 0.61 -0.54 0.00 0.00 174.62 176.31 3koq n GLY 39 N 0.95 1.41 2.35 3.99 0.00 -1.26 -0.84 105.19 111.79 3koq n GLY 39 Ca -0.20 0.79 -0.00 0.00 0.00 0.00 0.00 46.02 46.60 3koq n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3koq n GLY 40 N 4.11 0.35 3.45 -0.02 0.00 -1.26 -1.74 105.19 110.09 3koq n GLY 40 Ca 0.20 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3koq n GLY 40 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3koq n ASN 41 N -0.30 -3.97 0.24 1.61 5.15 -0.02 -4.87 115.26 113.10 3koq n ASN 41 Ca -0.00 -0.47 0.12 0.00 -0.60 0.00 0.00 54.58 53.63 3koq n ASN 41 Cb 0.18 -3.26 0.48 0.00 -0.53 0.00 0.00 39.78 36.65 3koq n ASN 41 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3koq h ARG 42 N -1.15 0.00 -6.60 1.20 2.47 -1.51 -3.48 114.38 105.32 3koq h ARG 42 Ca -0.46 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.74 3koq h ARG 42 Cb 1.31 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.66 3koq h ARG 42 CO 0.57 0.14 -0.98 1.04 0.56 0.00 0.00 179.97 181.30 3koq n GLN 43 N -3.25 -0.79 0.00 0.04 6.02 -1.26 -4.81 117.38 113.33 3koq n GLN 43 Ca 0.01 0.26 0.15 0.00 -0.01 0.00 0.00 57.00 57.41 3koq n GLN 43 Cb 0.41 -3.34 0.74 0.00 1.02 0.00 0.00 30.24 29.08 3koq n GLN 43 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3koq n PRO 44 N -4.63 1.22 -2.41 -1.09 -0.04 -1.26 -4.91 135.00 121.87 3koq n PRO 44 Ca -0.11 -0.41 -0.39 0.00 -0.04 0.00 0.00 63.50 62.55 3koq n PRO 44 Cb 0.58 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 3koq n PRO 44 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3koq s GLN 45 N -2.06 4.42 -0.08 0.54 0.00 -1.26 0.07 119.66 121.28 3koq s GLN 45 Ca 0.42 1.80 -0.03 0.00 -0.00 0.00 0.00 55.36 57.55 3koq s GLN 45 Cb 0.21 -2.97 0.04 0.00 0.00 0.00 0.00 33.01 30.30 3koq s GLN 45 CO 0.37 0.01 0.12 0.50 0.00 0.00 0.00 175.29 176.29 3koq s ARG 46 N -1.82 0.00 -0.01 9.60 6.06 -0.24 -4.90 118.95 127.63 3koq s ARG 46 Ca 0.50 0.41 0.03 0.00 -2.50 0.00 0.00 55.73 54.17 3koq s ARG 46 Cb -0.31 -0.57 -0.03 0.00 0.06 0.00 0.00 34.95 34.10 3koq s ARG 46 CO 0.40 -0.37 -0.10 -0.51 -2.50 0.00 0.00 175.30 172.21 3koq s LEU 47 N 2.23 3.00 -0.22 -0.88 1.02 -1.26 -0.71 118.68 121.87 3koq s LEU 47 Ca 0.04 -0.17 0.02 0.00 0.02 0.00 0.00 54.13 54.03 3koq s LEU 47 Cb -0.13 -1.70 0.04 0.00 0.02 0.00 0.00 46.19 44.43 3koq s LEU 47 CO -0.05 0.31 -0.13 -0.63 0.02 0.00 0.00 176.35 175.87 3koq s ILE 48 N -0.90 1.95 -0.17 -0.59 1.01 -0.17 -4.98 121.20 117.35 3koq s ILE 48 Ca 0.15 -1.25 -0.29 0.00 0.00 0.00 0.00 60.65 59.26 3koq s ILE 48 Cb -0.11 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.38 3koq s ILE 48 CO 0.05 0.17 1.03 -0.69 0.00 0.00 0.00 174.94 175.50 3koq s VAL 49 N 1.25 4.71 -0.21 2.92 1.01 -1.26 -1.50 120.40 127.32 3koq s VAL 49 Ca -0.03 2.02 0.02 0.00 0.00 0.00 0.00 61.98 63.99 3koq s VAL 49 Cb -0.17 -4.30 0.04 0.00 0.00 0.00 0.00 36.38 31.95 3koq s VAL 49 CO -0.08 -0.09 -0.14 -0.63 0.00 0.00 0.00 175.10 174.16 3koq s ILE 50 N 2.62 1.94 0.00 2.22 1.01 0.10 -4.92 121.20 124.16 3koq s ILE 50 Ca 0.47 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.95 3koq s ILE 50 Cb -0.17 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.37 3koq s ILE 50 CO 0.12 0.24 0.00 0.00 0.00 0.00 0.00 174.94 175.30 3koq n GLN 51 N 4.59 -0.00 -3.90 2.79 10.64 -1.26 -1.14 117.38 129.09 3koq n GLN 51 Ca -0.17 -0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.79 3koq n GLN 51 Cb 0.46 -0.47 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 3koq n GLN 51 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3koq s GLU 52 N -0.00 3.11 0.14 2.61 2.02 -1.26 -4.95 118.70 120.37 3koq s GLU 52 Ca 0.00 -0.98 -0.18 0.00 0.02 0.00 0.00 54.97 53.83 3koq s GLU 52 Cb 0.00 -2.71 -0.00 0.00 0.10 0.00 0.00 34.13 31.52 3koq s GLU 52 CO 0.00 0.30 1.74 -0.22 0.02 0.00 0.00 175.26 177.11 3koq h LYS 53 N 1.23 0.18 -0.14 1.61 3.11 -1.99 -1.06 116.57 119.52 3koq h LYS 53 Ca -0.49 -0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.38 3koq h LYS 53 Cb 1.24 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 32.39 3koq h LYS 53 CO 0.59 0.12 -0.11 1.49 -2.81 0.00 0.00 179.45 178.73 3koq h GLU 54 N 0.19 -0.11 -0.47 1.90 4.81 -1.99 -0.05 114.58 118.85 3koq h GLU 54 Ca 0.12 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 3koq h GLU 54 Cb 0.10 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3koq h GLU 54 CO -0.13 -0.08 -0.08 0.78 -0.73 0.00 0.00 179.01 178.77 3koq h GLY 55 N -0.12 0.96 1.00 1.92 0.00 -1.89 -1.15 103.07 103.79 3koq h GLY 55 Ca 0.09 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 3koq h GLY 55 CO -0.21 0.70 0.40 -2.22 0.00 0.00 0.00 176.54 175.22 3koq h ILE 56 N 0.73 1.19 -0.35 2.60 1.08 -1.06 -1.43 117.51 120.27 3koq h ILE 56 Ca 0.12 -0.42 -0.10 0.00 -0.39 0.00 0.00 64.86 64.07 3koq h ILE 56 Cb 0.62 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 3koq h ILE 56 CO 0.04 0.20 -0.18 0.78 -0.69 0.00 0.00 178.15 178.30 3koq h ASN 57 N 0.91 0.65 -0.43 1.72 2.35 -0.84 -1.85 115.58 118.09 3koq h ASN 57 Ca 0.24 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3koq h ASN 57 Cb -0.03 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3koq h ASN 57 CO -0.05 0.84 0.28 0.11 -1.65 0.00 0.00 177.43 176.97 3koq h LYS 58 N 0.59 0.56 -0.70 0.81 1.57 -0.80 -2.44 116.57 116.16 3koq h LYS 58 Ca 0.09 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3koq h LYS 58 Cb 0.63 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 3koq h LYS 58 CO 0.04 0.37 0.42 -0.07 -0.57 0.00 0.00 179.45 179.65 3koq h LEU 59 N 0.58 0.68 -0.87 2.94 3.38 -0.98 -2.45 115.31 118.59 3koq h LEU 59 Ca 0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3koq h LEU 59 Cb -0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3koq h LEU 59 CO -0.03 0.46 0.00 0.77 0.09 0.00 0.00 178.44 179.73 3koq h SER 60 N 0.81 0.00 0.40 -0.43 4.64 -0.99 -0.02 113.55 117.97 3koq h SER 60 Ca 0.29 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.54 3koq h SER 60 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3koq h SER 60 CO -0.13 0.00 -0.34 0.11 -0.87 0.00 0.00 176.83 175.60 3koq h LYS 61 N 0.00 0.00 0.00 4.77 1.57 -0.97 -3.33 116.57 118.61 3koq h LYS 61 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3koq h LYS 61 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3koq h LYS 61 CO 0.00 0.34 -1.77 0.00 -0.57 0.00 0.00 179.45 177.44 3koq n ALA 62 N -2.44 2.87 -3.65 3.86 0.00 -0.13 -4.96 120.51 116.06 3koq n ALA 62 Ca -0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 53.44 52.87 3koq n ALA 62 Cb 0.39 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 3koq n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3koq s ALA 63 N -3.27 -1.43 -0.41 0.00 0.00 -0.57 -1.31 121.76 114.78 3koq s ALA 63 Ca -0.06 0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.78 3koq s ALA 63 Cb 0.12 0.84 0.02 0.00 0.00 0.00 0.00 23.12 24.11 3koq s ALA 63 CO 0.79 -0.91 0.76 1.21 0.00 0.00 0.00 175.76 177.61 3koq s ASN 64 N -2.83 6.45 0.00 0.00 3.84 -1.26 -4.15 114.94 116.99 3koq s ASN 64 Ca 0.06 0.06 0.15 0.00 0.21 0.00 0.00 52.86 53.34 3koq s ASN 64 Cb -0.03 -2.38 0.36 0.00 -0.55 0.00 0.00 41.25 38.65 3koq s ASN 64 CO -0.03 -0.82 1.28 2.30 -2.79 0.00 0.00 177.10 177.04 3koq n ILE 65 N 5.96 0.76 -2.86 -5.21 -6.64 -1.26 -4.99 119.36 105.13 3koq n ILE 65 Ca 0.02 -0.88 -0.21 0.00 -1.77 0.00 0.00 62.75 59.91 3koq n ILE 65 Cb 0.48 0.70 0.01 0.00 -1.44 0.00 0.00 39.64 39.39 3koq n ILE 65 CO 0.00 0.00 0.00 -1.22 -1.77 0.00 0.00 176.55 173.56 3koq n TYR 66 N 0.93 -1.65 -3.33 4.28 4.01 -1.26 -1.25 117.16 118.89 3koq n TYR 66 Ca 0.15 0.33 -0.21 0.00 -0.16 0.00 0.00 57.90 58.01 3koq n TYR 66 Cb 0.48 -3.93 -0.02 0.00 -0.31 0.00 0.00 39.34 35.56 3koq n TYR 66 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3koq n ASP 67 N -2.28 -2.71 -4.77 7.72 8.00 -1.26 -4.30 116.55 116.96 3koq n ASP 67 Ca -0.13 -0.31 -0.40 0.00 0.71 0.00 0.00 54.79 54.65 3koq n ASP 67 Cb 0.62 -2.30 0.01 0.00 -0.02 0.00 0.00 41.12 39.43 3koq n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3koq s ALA 68 N -2.75 3.38 -0.76 2.24 0.00 -0.38 -4.82 121.76 118.67 3koq s ALA 68 Ca 0.36 1.47 0.26 0.00 0.00 0.00 0.00 51.96 54.06 3koq s ALA 68 Cb -0.20 -3.58 0.88 0.00 0.00 0.00 0.00 23.12 20.22 3koq s ALA 68 CO 0.45 -1.08 1.79 -0.35 0.00 0.00 0.00 175.76 176.56 3koq n PRO 69 N 0.12 0.22 -3.95 0.00 -0.04 -1.26 -4.80 135.00 125.29 3koq n PRO 69 Ca 0.03 0.20 -0.14 0.00 -0.04 0.00 0.00 63.50 63.56 3koq n PRO 69 Cb 0.41 -1.76 -0.14 0.00 -0.04 0.00 0.00 33.50 31.96 3koq n PRO 69 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3koq s LEU 70 N -4.30 1.90 0.02 1.53 1.98 -1.26 -4.61 118.68 113.93 3koq s LEU 70 Ca 0.11 -0.03 0.01 0.00 -2.89 0.00 0.00 54.13 51.33 3koq s LEU 70 Cb 0.13 -0.09 -0.01 0.00 0.66 0.00 0.00 46.19 46.88 3koq s LEU 70 CO 0.57 0.00 -0.04 0.00 -1.89 0.00 0.00 176.35 174.99 3koq s ALA 71 N 0.09 0.30 -0.20 5.97 0.00 -0.29 -4.46 121.76 123.17 3koq s ALA 71 Ca -0.01 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3koq s ALA 71 Cb -0.02 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3koq s ALA 71 CO -0.00 -0.02 -0.17 0.42 0.00 0.00 0.00 175.76 175.98 3koq s ILE 72 N -0.78 2.16 -0.33 0.00 1.01 0.15 0.01 121.20 123.41 3koq s ILE 72 Ca -0.06 -1.04 -0.23 0.00 0.00 0.00 0.00 60.65 59.32 3koq s ILE 72 Cb -0.06 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.44 3koq s ILE 72 CO -0.00 0.43 0.77 -0.22 0.00 0.00 0.00 174.94 175.92 3koq s LEU 73 N 1.27 4.11 -0.37 2.97 2.96 -0.56 -1.06 118.68 128.00 3koq s LEU 73 Ca 0.03 0.49 -0.13 0.00 -0.22 0.00 0.00 54.13 54.30 3koq s LEU 73 Cb -0.14 -3.03 0.01 0.00 0.50 0.00 0.00 46.19 43.52 3koq s LEU 73 CO -0.11 -0.66 0.25 -0.69 -1.32 0.00 0.00 176.35 173.82 3koq s VAL 74 N 3.00 5.06 0.22 1.68 1.01 0.84 -1.00 120.40 131.21 3koq s VAL 74 Ca 0.31 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.81 3koq s VAL 74 Cb -0.14 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3koq s VAL 74 CO 0.15 -0.17 0.19 0.00 0.00 0.00 0.00 175.10 175.26 3koq s GLY 76 N -3.63 1.53 -0.49 0.00 0.00 0.31 -1.08 107.32 103.96 3koq s GLY 76 Ca 0.32 -0.91 -0.22 0.00 0.00 0.00 0.00 44.72 43.92 3koq s GLY 76 CO 0.25 -0.34 0.74 -0.35 0.00 0.00 0.00 173.10 173.40 3koq s ASP 77 N 0.08 6.31 0.60 1.64 -1.08 0.11 -1.49 116.67 122.84 3koq s ASP 77 Ca -0.06 -0.50 0.39 0.00 -0.52 0.00 0.00 52.55 51.87 3koq s ASP 77 Cb -0.15 -2.35 1.96 0.00 -1.46 0.00 0.00 42.92 40.92 3koq s ASP 77 CO 0.05 -0.96 2.18 0.11 0.52 0.00 0.00 175.17 177.07 3koq h LYS 78 N 9.06 0.00 0.00 4.34 1.57 -1.19 -0.84 116.57 129.51 3koq h LYS 78 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3koq h LYS 78 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3koq h LYS 78 CO 0.98 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.61 3koq n ASP 79 N -3.02 0.01 -0.02 0.86 8.00 -1.26 -4.14 116.55 116.97 3koq n ASP 79 Ca -0.01 0.50 -0.03 0.00 0.71 0.00 0.00 54.79 55.95 3koq n ASP 79 Cb 0.16 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 3koq n ASP 79 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3koq n LYS 80 N -1.51 1.06 -1.72 -1.24 5.02 -0.62 -5.07 118.16 114.08 3koq n LYS 80 Ca 0.07 0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 3koq n LYS 80 Cb 0.32 -1.10 0.06 0.00 -0.02 0.00 0.00 35.03 34.29 3koq n LYS 80 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3koq n VAL 81 N -2.51 4.67 -2.24 -0.18 3.14 -0.42 -4.85 118.33 115.94 3koq n VAL 81 Ca -0.08 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.38 3koq n VAL 81 Cb 0.61 -1.50 -0.03 0.00 -1.06 0.00 0.00 33.84 31.86 3koq n VAL 81 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 3koq s TRP 82 N -1.38 3.27 -0.24 1.45 -0.00 -1.26 -4.89 118.94 115.88 3koq s TRP 82 Ca 0.80 1.34 -0.07 0.00 -0.00 0.00 0.00 56.10 58.18 3koq s TRP 82 Cb -0.39 -3.56 -0.03 0.00 -0.00 0.00 0.00 33.47 29.49 3koq s TRP 82 CO 0.42 -1.64 0.06 0.99 -0.00 0.00 0.00 176.95 176.78 3koq s THR 83 N -0.34 4.24 -0.21 5.86 2.01 -1.26 -1.69 115.64 124.26 3koq s THR 83 Ca 0.53 -0.20 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 3koq s THR 83 Cb -0.36 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 3koq s THR 83 CO 0.42 0.35 1.57 -0.60 -0.69 0.00 0.00 174.62 175.67 3koq s ARG 84 N 1.55 3.86 0.38 4.92 3.52 0.16 -4.91 118.95 128.44 3koq s ARG 84 Ca 0.06 1.67 0.08 0.00 -0.13 0.00 0.00 55.73 57.41 3koq s ARG 84 Cb -0.15 -4.00 0.82 0.00 -1.56 0.00 0.00 34.95 30.06 3koq s ARG 84 CO 0.03 -1.21 1.96 -1.35 -0.81 0.00 0.00 175.30 173.92 3koq h PRO 85 N 10.35 0.64 -0.46 5.12 0.11 -1.95 0.46 132.00 146.27 3koq h PRO 85 Ca -0.33 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.82 3koq h PRO 85 Cb 1.15 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.05 3koq h PRO 85 CO 1.00 0.42 0.09 0.35 -0.21 0.00 0.00 178.00 179.65 3koq h PHE 86 N 0.66 0.15 0.00 0.65 3.57 -1.97 -3.30 116.94 116.69 3koq h PHE 86 Ca 0.31 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.84 3koq h PHE 86 Cb 0.36 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3koq h PHE 86 CO -0.00 0.00 0.00 -0.40 -2.23 0.00 0.00 178.31 175.68 3koq n ASP 87 N -5.11 0.75 0.00 0.41 5.75 -1.16 -5.02 116.55 112.16 3koq n ASP 87 Ca 0.05 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 3koq n ASP 87 Cb 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 3koq n ASP 87 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3koq n GLY 88 N -0.09 0.35 3.74 6.12 0.00 0.16 -5.01 105.19 110.47 3koq n GLY 88 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3koq n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3koq s LYS 89 N -0.66 4.36 0.10 1.61 2.20 -1.22 -4.66 119.74 121.47 3koq s LYS 89 Ca 0.00 2.13 0.04 0.00 -0.36 0.00 0.00 55.97 57.78 3koq s LYS 89 Cb 0.00 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 3koq s LYS 89 CO 0.00 -0.29 0.08 -0.65 -0.36 0.00 0.00 175.35 174.13 3koq s GLN 90 N -0.34 2.84 -0.03 4.03 -0.21 -1.26 0.39 119.66 125.08 3koq s GLN 90 Ca 0.57 -0.75 0.07 0.00 0.02 0.00 0.00 55.36 55.26 3koq s GLN 90 Cb -0.38 -2.68 0.26 0.00 1.00 0.00 0.00 33.01 31.20 3koq s GLN 90 CO 0.41 0.54 1.09 1.28 -2.12 0.00 0.00 175.29 176.49 3koq n LEU 91 N 0.29 1.93 -0.17 2.90 4.32 -0.68 -4.51 117.00 121.08 3koq n LEU 91 Ca -0.09 -0.97 -0.02 0.00 -0.02 0.00 0.00 56.01 54.92 3koq n LEU 91 Cb 0.52 -0.33 0.08 0.00 -1.62 0.00 0.00 43.42 42.07 3koq n LEU 91 CO 0.43 0.37 0.92 0.74 -1.22 0.00 0.00 177.39 178.62 3koq h THR 92 N 1.49 0.71 -0.06 -5.08 2.02 -1.95 -0.14 112.91 109.90 3koq h THR 92 Ca 0.00 -0.09 -0.19 0.00 0.77 0.00 0.00 66.41 66.90 3koq h THR 92 Cb 0.63 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3koq h THR 92 CO 0.07 0.05 -0.76 0.44 0.37 0.00 0.00 175.52 175.69 3koq h ASP 93 N 0.25 0.46 0.74 4.18 3.32 -2.00 -2.84 116.42 120.54 3koq h ASP 93 Ca 0.27 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3koq h ASP 93 Cb 0.36 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.78 3koq h ASP 93 CO -0.34 1.06 -0.36 0.40 -1.72 0.00 0.00 179.24 178.29 3koq h ILE 94 N 0.25 0.00 -0.41 0.35 2.04 -1.56 -1.64 117.51 116.55 3koq h ILE 94 Ca -0.04 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.70 3koq h ILE 94 Cb 1.35 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 3koq h ILE 94 CO 0.13 0.00 0.02 0.44 0.00 0.00 0.00 178.15 178.74 3koq h ASP 95 N -1.20 -0.12 0.37 1.72 3.32 -1.19 -1.08 116.42 118.24 3koq h ASP 95 Ca -0.10 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3koq h ASP 95 Cb 0.77 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3koq h ASP 95 CO 0.17 -0.03 -0.35 0.71 -1.72 0.00 0.00 179.24 178.02 3koq h THR 96 N 0.13 1.23 0.02 0.35 1.35 -1.56 -2.67 112.91 111.76 3koq h THR 96 Ca 0.20 -1.22 -0.21 0.00 -0.55 0.00 0.00 66.41 64.63 3koq h THR 96 Cb 0.28 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 3koq h THR 96 CO -0.32 0.35 -0.95 0.28 -0.25 0.00 0.00 175.52 174.64 3koq h SER 97 N 0.00 0.15 -0.25 5.36 0.02 -0.58 -0.18 113.55 118.07 3koq h SER 97 Ca -0.00 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3koq h SER 97 Cb 0.63 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3koq h SER 97 CO 0.05 1.01 0.13 0.40 -1.14 0.00 0.00 176.83 177.28 3koq h ILE 98 N 0.05 1.12 -0.33 3.27 2.04 -1.06 0.11 117.51 122.72 3koq h ILE 98 Ca -0.04 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.51 3koq h ILE 98 Cb 1.62 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 3koq h ILE 98 CO 0.14 0.12 0.19 0.58 0.00 0.00 0.00 178.15 179.17 3koq h VAL 99 N 0.29 1.03 -0.57 1.67 2.07 -1.35 -1.28 116.25 118.10 3koq h VAL 99 Ca 0.09 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 3koq h VAL 99 Cb 0.07 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3koq h VAL 99 CO -0.01 0.07 -0.06 0.74 0.02 0.00 0.00 177.57 178.33 3koq h THR 100 N 0.38 1.27 -0.47 2.57 2.02 -0.84 -2.95 112.91 114.89 3koq h THR 100 Ca 0.13 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 3koq h THR 100 Cb 0.01 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3koq h THR 100 CO -0.07 0.43 0.24 -0.78 0.37 0.00 0.00 175.52 175.72 3koq h ASP 101 N 0.94 0.61 -0.01 4.18 3.58 -0.57 -3.43 116.42 121.72 3koq h ASP 101 Ca 0.16 -0.11 -0.46 0.00 0.42 0.00 0.00 57.03 57.04 3koq h ASP 101 Cb 0.62 -0.15 0.12 0.00 1.72 0.00 0.00 39.33 41.63 3koq h ASP 101 CO 0.04 0.54 1.14 1.41 -2.88 0.00 0.00 179.24 179.49 3koq n HIS 102 N -4.65 0.08 0.00 0.28 8.25 -0.50 -4.58 115.22 114.10 3koq n HIS 102 Ca 0.01 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 3koq n HIS 102 Cb 0.10 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.35 3koq n HIS 102 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3koq n LEU 105 N 9.19 0.00 -0.06 2.41 4.77 -1.26 -4.60 117.00 127.45 3koq n LEU 105 Ca 0.40 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.24 3koq n LEU 105 Cb 0.40 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3koq n LEU 105 CO 1.02 0.00 0.57 -0.61 -1.33 0.00 0.00 177.39 177.03 3koq h GLN 106 N 0.00 0.48 -0.81 3.23 5.75 -1.96 -2.45 115.11 119.36 3koq h GLN 106 Ca 0.00 -0.27 0.10 0.00 -0.15 0.00 0.00 58.65 58.33 3koq h GLN 106 Cb 0.00 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.49 3koq h GLN 106 CO 0.00 0.85 0.45 0.00 -2.65 0.00 0.00 178.83 177.48 3koq h ALA 107 N 0.62 1.15 -0.63 3.38 0.00 -1.90 -2.43 119.26 119.46 3koq h ALA 107 Ca 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3koq h ALA 107 Cb 0.78 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3koq h ALA 107 CO 0.05 0.06 0.18 1.15 0.00 0.00 0.00 179.25 180.69 3koq h THR 108 N 0.75 1.25 -0.22 0.00 2.02 -1.57 -1.38 112.91 113.76 3koq h THR 108 Ca 0.39 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 3koq h THR 108 Cb 0.38 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3koq h THR 108 CO -0.26 0.33 0.11 -0.08 0.37 0.00 0.00 175.52 176.00 3koq h GLU 109 N 0.91 0.29 -0.19 6.66 4.81 -0.97 -1.81 114.58 124.28 3koq h GLU 109 Ca 0.20 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3koq h GLU 109 Cb 0.32 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3koq h GLU 109 CO -0.00 0.23 0.00 1.28 -0.73 0.00 0.00 179.01 179.78 3koq n LEU 110 N -4.47 1.45 0.00 1.64 4.77 -0.78 -4.89 117.00 114.71 3koq n LEU 110 Ca 0.00 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 3koq n LEU 110 Cb 0.10 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3koq n LEU 110 CO 0.35 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3koq n GLY 111 N 1.04 0.61 3.69 -0.72 0.00 -0.68 -5.04 105.19 104.09 3koq n GLY 111 Ca 0.14 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3koq n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3koq s LEU 112 N 0.00 4.22 0.67 0.99 2.01 -0.59 -4.85 118.68 121.12 3koq s LEU 112 Ca 0.00 0.89 -0.13 0.00 0.01 0.00 0.00 54.13 54.90 3koq s LEU 112 Cb 0.00 -2.86 -0.00 0.00 0.01 0.00 0.00 46.19 43.34 3koq s LEU 112 CO 0.00 -0.16 1.07 0.00 1.01 0.00 0.00 176.35 178.27 3koq s ALA 113 N 1.31 2.63 0.21 4.21 0.00 0.05 -3.68 121.76 126.48 3koq s ALA 113 Ca 0.29 0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 3koq s ALA 113 Cb -0.16 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.78 3koq s ALA 113 CO 0.12 -1.15 0.60 -1.54 0.00 0.00 0.00 175.76 173.79 3koq s SER 114 N -3.32 -0.35 -0.12 0.00 1.04 -1.26 -1.72 113.70 107.96 3koq s SER 114 Ca 0.61 -0.37 -0.10 0.00 0.48 0.00 0.00 55.95 56.57 3koq s SER 114 Cb -0.15 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.63 3koq s SER 114 CO 0.48 -1.11 0.31 0.54 0.98 0.00 0.00 173.24 174.44 3koq s VAL 115 N -3.85 -0.01 0.02 5.02 0.11 -0.83 -0.73 120.40 120.14 3koq s VAL 115 Ca 0.07 0.03 -0.28 0.00 -2.93 0.00 0.00 61.98 58.88 3koq s VAL 115 Cb -0.02 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 3koq s VAL 115 CO -0.03 0.01 0.87 0.86 -3.33 0.00 0.00 175.10 173.48 3koq s TRP 116 N 0.47 3.70 -0.14 1.54 -0.11 -1.26 -1.36 118.94 121.78 3koq s TRP 116 Ca -0.02 1.58 0.00 0.00 1.22 0.00 0.00 56.10 58.88 3koq s TRP 116 Cb -0.04 -2.97 0.02 0.00 -1.50 0.00 0.00 33.47 28.98 3koq s TRP 116 CO -0.02 0.13 -0.13 0.08 -4.62 0.00 0.00 176.95 172.38 3koq s VAL 117 N 0.48 1.45 -0.06 5.86 1.01 0.13 -4.94 120.40 124.33 3koq s VAL 117 Ca 0.45 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3koq s VAL 117 Cb -0.21 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 3koq s VAL 117 CO 0.25 0.44 0.23 0.00 0.00 0.00 0.00 175.10 176.03 3koq n TYR 119 N -0.58 3.49 -4.23 0.00 4.19 -1.26 -4.89 117.16 113.88 3koq n TYR 119 Ca 0.00 -2.92 -0.16 0.00 3.31 0.00 0.00 57.90 58.14 3koq n TYR 119 Cb 0.01 -2.24 -0.11 0.00 0.49 0.00 0.00 39.34 37.50 3koq n TYR 119 CO 0.00 0.00 0.00 -0.59 0.91 0.00 0.00 176.86 177.18 3koq s PHE 120 N 1.78 1.26 -0.60 2.98 -0.12 -1.26 -4.56 117.98 117.47 3koq s PHE 120 Ca 0.44 -0.66 -0.27 0.00 -0.05 0.00 0.00 56.93 56.39 3koq s PHE 120 Cb 0.09 -0.66 0.03 0.00 -0.63 0.00 0.00 43.02 41.86 3koq s PHE 120 CO -0.02 0.09 1.12 1.21 -0.05 0.00 0.00 175.22 177.57 3koq s ASN 121 N -2.75 6.37 0.39 1.98 3.84 -0.42 -4.91 114.94 119.44 3koq s ASN 121 Ca 0.11 -0.15 0.17 0.00 0.21 0.00 0.00 52.86 53.21 3koq s ASN 121 Cb -0.01 -2.51 0.82 0.00 -0.55 0.00 0.00 41.25 38.99 3koq s ASN 121 CO 0.01 -1.46 1.82 1.55 -2.79 0.00 0.00 177.10 176.24 3koq h PRO 122 N 9.54 0.00 -0.40 0.43 0.13 -1.96 -2.21 132.00 137.54 3koq h PRO 122 Ca -0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.75 3koq h PRO 122 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3koq h PRO 122 CO 1.17 0.34 -0.24 -0.44 -0.23 0.00 0.00 178.00 178.60 3koq h ASP 123 N 0.00 0.84 -0.42 1.44 3.32 -1.99 -0.94 116.42 118.67 3koq h ASP 123 Ca -0.00 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.66 3koq h ASP 123 Cb 0.71 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3koq h ASP 123 CO 0.04 1.04 -0.03 0.40 -1.72 0.00 0.00 179.24 178.97 3koq h ILE 124 N 0.71 1.27 -0.43 0.35 2.04 -1.86 -1.44 117.51 118.14 3koq h ILE 124 Ca 0.09 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.88 3koq h ILE 124 Cb 0.77 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3koq h ILE 124 CO 0.06 0.37 0.28 0.40 0.00 0.00 0.00 178.15 179.26 3koq h ILE 125 N 0.59 1.09 -0.41 -0.67 2.04 -1.21 0.88 117.51 119.82 3koq h ILE 125 Ca 0.11 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3koq h ILE 125 Cb 0.53 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3koq h ILE 125 CO 0.03 0.10 0.18 0.03 0.00 0.00 0.00 178.15 178.49 3koq h ARG 126 N 0.57 0.60 0.06 2.37 3.08 -1.13 0.05 114.38 119.98 3koq h ARG 126 Ca 0.16 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3koq h ARG 126 Cb -0.05 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3koq h ARG 126 CO -0.04 0.55 -0.03 1.49 -1.07 0.00 0.00 179.97 180.86 3koq h GLU 127 N 0.52 -0.08 -0.36 0.04 4.81 -1.05 -0.63 114.58 117.82 3koq h GLU 127 Ca 0.14 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3koq h GLU 127 Cb 0.16 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3koq h GLU 127 CO -0.01 0.09 -0.04 0.93 -0.73 0.00 0.00 179.01 179.25 3koq h GLU 128 N -0.24 0.59 -0.67 1.92 4.39 -0.65 -2.85 114.58 117.06 3koq h GLU 128 Ca -0.01 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3koq h GLU 128 Cb 0.21 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3koq h GLU 128 CO 0.01 0.64 0.00 1.19 -1.16 0.00 0.00 179.01 179.69 3koq n PHE 129 N -4.24 0.96 -4.13 4.33 3.72 -0.01 -4.98 117.46 113.12 3koq n PHE 129 Ca 0.01 -0.51 -0.31 0.00 -0.05 0.00 0.00 57.45 56.59 3koq n PHE 129 Cb 0.28 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 38.76 3koq n PHE 129 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3koq n SER 130 N 1.44 -1.22 -4.73 4.37 7.64 -0.32 -4.87 113.62 115.92 3koq n SER 130 Ca 0.23 -1.06 -0.42 0.00 1.01 0.00 0.00 58.87 58.63 3koq n SER 130 Cb 0.63 -2.67 -0.03 0.00 -1.01 0.00 0.00 64.21 61.12 3koq n SER 130 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3koq s LEU 131 N -7.15 4.40 0.85 -3.43 1.43 -0.71 -5.02 118.68 109.05 3koq s LEU 131 Ca 0.29 2.33 -0.11 0.00 -1.03 0.00 0.00 54.13 55.61 3koq s LEU 131 Cb -0.16 -3.60 0.10 0.00 0.03 0.00 0.00 46.19 42.56 3koq s LEU 131 CO 0.92 -0.54 1.09 -2.16 0.23 0.00 0.00 176.35 175.90 3koq s PRO 132 N 0.27 1.62 0.56 1.29 0.04 -1.26 -4.92 135.00 132.60 3koq s PRO 132 Ca 0.58 0.90 0.30 0.00 0.04 0.00 0.00 61.00 62.82 3koq s PRO 132 Cb -0.36 -1.84 1.68 0.00 0.04 0.00 0.00 34.50 34.02 3koq s PRO 132 CO 0.35 -2.01 2.17 -0.44 0.04 0.00 0.00 177.00 177.12 3koq h ASP 133 N -1.38 0.00 1.08 6.66 3.32 -2.02 -2.06 116.42 122.02 3koq h ASP 133 Ca -0.48 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 3koq h ASP 133 Cb 1.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 3koq h ASP 133 CO 0.54 0.06 -0.12 -0.55 -1.72 0.00 0.00 179.24 177.44 3koq h ASN 134 N 0.00 0.00 -3.74 6.45 -1.07 -1.94 -3.43 115.58 111.85 3koq h ASN 134 Ca -0.00 0.00 -0.63 0.00 0.07 0.00 0.00 56.30 55.74 3koq h ASN 134 Cb 0.17 0.00 -0.15 0.00 -2.07 0.00 0.00 38.32 36.27 3koq h ASN 134 CO 0.01 0.12 -0.40 -0.76 0.07 0.00 0.00 177.43 176.47 3koq s LEU 135 N -6.49 4.06 -0.21 6.14 1.43 -0.78 -0.61 118.68 122.22 3koq s LEU 135 Ca 0.01 0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 53.21 3koq s LEU 135 Cb 0.09 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3koq s LEU 135 CO 0.61 -0.07 0.04 -0.70 0.23 0.00 0.00 176.35 176.46 3koq s GLU 136 N 1.66 3.73 -0.01 1.70 2.12 -0.56 -4.72 118.70 122.61 3koq s GLU 136 Ca 0.11 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 3koq s GLU 136 Cb -0.15 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 3koq s GLU 136 CO 0.09 0.01 1.16 -1.25 -0.54 0.00 0.00 175.26 174.73 3koq s PRO 137 N 1.05 4.41 -0.04 4.30 0.04 -1.26 -0.53 135.00 142.97 3koq s PRO 137 Ca 0.03 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 62.65 3koq s PRO 137 Cb -0.14 -3.48 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 3koq s PRO 137 CO 0.03 -0.33 -0.17 -0.89 0.04 0.00 0.00 177.00 175.67 3koq n ILE 138 N 4.30 1.33 -4.57 0.56 2.08 0.73 -4.95 119.36 118.84 3koq n ILE 138 Ca 0.10 0.25 -0.23 0.00 0.56 0.00 0.00 62.75 63.42 3koq n ILE 138 Cb 0.47 -1.95 -0.14 0.00 -0.75 0.00 0.00 39.64 37.27 3koq n ILE 138 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 3koq s ASN 139 N -5.97 2.10 -0.24 4.38 0.01 -0.97 -4.78 114.94 109.46 3koq s ASN 139 Ca -0.15 -0.46 -0.03 0.00 -0.71 0.00 0.00 52.86 51.51 3koq s ASN 139 Cb 0.02 -0.17 0.01 0.00 0.41 0.00 0.00 41.25 41.52 3koq s ASN 139 CO 0.21 0.12 -0.03 -0.63 -1.51 0.00 0.00 177.10 175.27 3koq s ILE 140 N -0.75 3.27 -0.34 0.60 1.01 -0.16 -0.11 121.20 124.71 3koq s ILE 140 Ca 0.05 -0.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.85 3koq s ILE 140 Cb -0.08 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 3koq s ILE 140 CO 0.01 0.29 0.24 -0.22 0.00 0.00 0.00 174.94 175.27 3koq s LEU 141 N 1.43 4.56 0.45 2.97 2.96 -0.22 0.18 118.68 131.00 3koq s LEU 141 Ca 0.03 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 3koq s LEU 141 Cb -0.15 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.41 3koq s LEU 141 CO -0.03 -0.25 0.65 -0.76 -1.32 0.00 0.00 176.35 174.64 3koq s LEU 142 N 1.71 3.62 0.00 -0.68 1.43 -0.46 -0.68 118.68 123.63 3koq s LEU 142 Ca 0.06 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3koq s LEU 142 Cb -0.18 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3koq s LEU 142 CO 0.10 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.53 3koq n GLY 144 N -2.04 0.73 3.28 -3.19 0.00 -0.70 -1.96 105.19 101.31 3koq n GLY 144 Ca 0.03 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 3koq n GLY 144 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3koq s TYR 145 N -3.39 2.73 0.51 1.61 2.02 -1.26 -0.77 117.35 118.79 3koq s TYR 145 Ca 0.00 -0.94 -0.22 0.00 -0.37 0.00 0.00 57.07 55.53 3koq s TYR 145 Cb 0.00 -1.82 -0.06 0.00 -0.40 0.00 0.00 41.96 39.68 3koq s TYR 145 CO 0.00 -0.39 1.29 -1.83 -1.57 0.00 0.00 175.55 173.05 3koq s GLU 146 N 0.55 3.40 0.16 -0.62 -1.05 -1.26 0.12 118.70 119.99 3koq s GLU 146 Ca -0.11 2.07 0.13 0.00 -0.15 0.00 0.00 54.97 56.91 3koq s GLU 146 Cb -0.16 -2.33 -0.09 0.00 -0.44 0.00 0.00 34.13 31.11 3koq s GLU 146 CO 0.04 -0.93 1.20 0.77 0.95 0.00 0.00 175.26 177.28 3koq h SER 147 N 1.72 0.00 -4.84 0.83 0.02 -1.61 -3.39 113.55 106.28 3koq h SER 147 Ca -0.50 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.93 3koq h SER 147 Cb 1.28 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.70 3koq h SER 147 CO 0.58 0.71 -0.46 2.29 -1.14 0.00 0.00 176.83 178.82 3koq n LYS 148 N -3.18 0.50 -1.70 3.45 2.85 -1.26 -4.97 118.16 113.85 3koq n LYS 148 Ca -0.03 -3.36 -0.43 0.00 -1.05 0.00 0.00 58.31 53.44 3koq n LYS 148 Cb 0.85 2.22 -0.03 0.00 -0.65 0.00 0.00 35.03 37.42 3koq n LYS 148 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 3koq n ILE 149 N -0.79 0.60 -0.98 0.58 5.41 -1.26 -4.94 119.36 117.99 3koq n ILE 149 Ca 0.00 -0.15 -0.32 0.00 1.00 0.00 0.00 62.75 63.28 3koq n ILE 149 Cb 0.60 -1.75 0.13 0.00 -0.71 0.00 0.00 39.64 37.91 3koq n ILE 149 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3koq s PRO 150 N 0.13 1.53 0.69 0.38 0.04 -1.26 -4.99 135.00 131.52 3koq s PRO 150 Ca 0.70 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 63.10 3koq s PRO 150 Cb -0.57 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.19 3koq s PRO 150 CO 0.44 -2.24 1.19 -1.21 0.04 0.00 0.00 177.00 175.21 3koq s GLU 151 N -4.54 2.42 0.28 4.56 0.41 -1.26 -4.93 118.70 115.63 3koq s GLU 151 Ca 0.67 1.70 -0.30 0.00 -0.41 0.00 0.00 54.97 56.63 3koq s GLU 151 Cb -0.23 -1.87 -0.10 0.00 -1.78 0.00 0.00 34.13 30.14 3koq s GLU 151 CO 0.55 -1.60 1.48 0.45 -0.49 0.00 0.00 175.26 175.64 3koq s SER 152 N -2.06 6.56 0.32 -0.19 0.15 -1.26 -4.87 113.70 112.34 3koq s SER 152 Ca 0.73 2.77 0.24 0.00 0.70 0.00 0.00 55.95 60.39 3koq s SER 152 Cb -0.28 -2.63 1.15 0.00 -1.71 0.00 0.00 66.02 62.56 3koq s SER 152 CO 0.42 -0.76 1.72 -0.65 1.20 0.00 0.00 173.24 175.17 3koq h PRO 153 N 4.72 0.00 -0.64 5.44 0.11 -1.89 -2.67 132.00 137.07 3koq h PRO 153 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3koq h PRO 153 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3koq h PRO 153 CO 0.76 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.94 3koq n GLU 154 N -2.32 4.08 0.15 1.05 -0.58 -1.26 -4.61 120.64 117.15 3koq n GLU 154 Ca 0.00 -2.96 0.13 0.00 -0.42 0.00 0.00 57.16 53.91 3koq n GLU 154 Cb 0.12 -2.01 0.45 0.00 -0.57 0.00 0.00 31.44 29.44 3koq n GLU 154 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 3koq h ARG 155 N 4.11 0.00 0.00 3.49 0.11 -1.84 -3.36 114.38 116.89 3koq h ARG 155 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 3koq h ARG 155 Cb 1.61 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.69 3koq h ARG 155 CO 0.31 0.00 -0.04 0.45 0.10 0.00 0.00 179.97 180.79 3koq h HIS 156 N 0.00 0.00 -0.91 4.08 3.86 -1.85 0.08 115.15 120.41 3koq h HIS 156 Ca 0.00 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.32 3koq h HIS 156 Cb 0.58 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.99 3koq h HIS 156 CO 0.00 0.04 0.59 1.49 0.86 0.00 0.00 177.93 180.90 3koq h GLU 157 N 0.00 0.85 0.00 2.45 4.57 -1.86 -1.46 114.58 119.13 3koq h GLU 157 Ca -0.00 -0.05 -0.31 0.00 -1.18 0.00 0.00 59.36 57.82 3koq h GLU 157 Cb 0.18 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 3koq h GLU 157 CO 0.00 0.56 -1.85 1.63 -1.18 0.00 0.00 179.01 178.17 3koq n LYS 158 N -4.55 0.64 -0.10 1.92 4.76 -0.14 -4.51 118.16 116.19 3koq n LYS 158 Ca 0.16 0.23 0.11 0.00 -2.87 0.00 0.00 58.31 55.95 3koq n LYS 158 Cb 0.34 -1.74 0.15 0.00 -1.84 0.00 0.00 35.03 31.95 3koq n LYS 158 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3koq n THR 159 N -2.99 0.29 -4.04 -0.18 -2.24 -0.32 -4.89 114.28 99.91 3koq n THR 159 Ca -0.20 -0.65 -0.12 0.00 -2.27 0.00 0.00 64.05 60.81 3koq n THR 159 Cb 1.07 1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 70.37 3koq n THR 159 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3koq s ARG 160 N -1.59 0.47 0.76 -0.78 1.81 -0.57 -4.99 118.95 114.07 3koq s ARG 160 Ca 0.32 -0.72 -0.13 0.00 -1.72 0.00 0.00 55.73 53.47 3koq s ARG 160 Cb 0.20 -0.19 0.06 0.00 -0.45 0.00 0.00 34.95 34.57 3koq s ARG 160 CO 0.29 0.02 1.16 0.14 -0.68 0.00 0.00 175.30 176.23 3koq s VAL 161 N -1.42 2.60 0.59 3.52 -7.23 -1.26 -4.75 120.40 112.45 3koq s VAL 161 Ca -0.11 0.25 -0.20 0.00 -1.81 0.00 0.00 61.98 60.11 3koq s VAL 161 Cb -0.10 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 3koq s VAL 161 CO 0.00 -0.20 1.22 -2.65 -0.31 0.00 0.00 175.10 173.16 3koq n PRO 162 N -3.12 1.28 -0.31 4.82 -0.02 -1.26 -4.87 135.00 131.52 3koq n PRO 162 Ca 0.12 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.17 3koq n PRO 162 Cb 0.51 -2.43 0.31 0.00 -0.02 0.00 0.00 33.50 31.87 3koq n PRO 162 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3koq h LEU 163 N 0.90 0.79 -2.30 2.45 5.85 -2.00 -0.77 115.31 120.24 3koq h LEU 163 Ca -0.50 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.28 3koq h LEU 163 Cb 1.33 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3koq h LEU 163 CO 0.54 0.43 0.23 0.77 -0.34 0.00 0.00 178.44 180.07 3koq h SER 164 N 0.85 0.00 1.68 1.25 4.64 -1.89 0.26 113.55 120.34 3koq h SER 164 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3koq h SER 164 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3koq h SER 164 CO -0.22 0.00 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.32 3koq h GLU 165 N 0.00 0.00 -0.00 4.77 5.08 -1.48 -3.34 114.58 119.60 3koq h GLU 165 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3koq h GLU 165 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3koq h GLU 165 CO -0.00 0.00 -0.40 0.44 -1.00 0.00 0.00 179.01 178.05 3koq n ILE 166 N -2.71 0.00 -4.93 3.13 -5.35 0.01 -5.01 119.36 104.51 3koq n ILE 166 Ca 0.04 -0.30 -0.28 0.00 -0.27 0.00 0.00 62.75 61.95 3koq n ILE 166 Cb 0.49 1.01 -0.16 0.00 -1.74 0.00 0.00 39.64 39.24 3koq n ILE 166 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3koq s VAL 167 N -1.80 1.60 0.27 7.28 1.01 -0.77 -5.13 120.40 122.86 3koq s VAL 167 Ca 0.04 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.27 3koq s VAL 167 Cb 0.07 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 35.00 3koq s VAL 167 CO 0.36 0.46 0.04 -0.94 0.00 0.00 0.00 175.10 175.01 3koq s SER 168 N 0.26 1.94 -0.20 3.32 1.04 -1.26 -4.76 113.70 114.03 3koq s SER 168 Ca -0.11 -1.31 -0.02 0.00 0.48 0.00 0.00 55.95 55.00 3koq s SER 168 Cb -0.15 -0.00 -0.00 0.00 0.10 0.00 0.00 66.02 65.97 3koq s SER 168 CO 0.05 -0.58 -0.10 -0.31 0.98 0.00 0.00 173.24 173.28 3koq s TYR 169 N -3.42 2.89 0.00 5.02 1.51 -1.26 -4.82 117.35 117.27 3koq s TYR 169 Ca 0.33 -1.10 0.00 0.00 -1.01 0.00 0.00 57.07 55.30 3koq s TYR 169 Cb 0.07 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 3koq s TYR 169 CO 0.12 -0.58 0.00 0.39 -1.11 0.00 0.00 175.55 174.37 3koq n GLU 170 N 4.60 0.00 -4.39 -0.62 -0.58 -1.26 -4.80 120.64 113.59 3koq n GLU 170 Ca -0.19 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.36 3koq n GLU 170 Cb 0.51 -0.04 -0.10 0.00 -0.57 0.00 0.00 31.44 31.23 3koq n GLU 170 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3koq s THR 171 N 0.00 1.04 -1.31 2.62 -4.23 -1.26 -5.35 115.64 107.15 3koq s THR 171 Ca 0.00 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 3koq s THR 171 Cb 0.00 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.21 3koq s THR 171 CO 0.00 -0.10 0.33 0.18 -0.54 0.00 0.00 174.62 174.49