#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 0.49 -0.44 -2.53 3.57 -2.05 -1.56 116.94 114.42 3koq h PHE 3 Ca 0.00 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 3koq h PHE 3 Cb 0.00 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3koq h PHE 3 CO 0.00 0.63 0.23 -0.24 -2.23 0.00 0.00 178.31 176.70 3koq h VAL 4 N 0.21 1.14 -0.47 1.41 3.04 -2.05 0.14 116.25 119.67 3koq h VAL 4 Ca 0.07 -0.37 -0.12 0.00 -1.01 0.00 0.00 66.70 65.27 3koq h VAL 4 Cb 0.44 0.56 -0.02 0.00 -2.01 0.00 0.00 31.29 30.27 3koq h VAL 4 CO 0.02 0.16 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.24 3koq h GLU 5 N 0.61 0.92 -0.18 4.17 5.08 -1.92 0.69 114.58 123.95 3koq h GLU 5 Ca 0.16 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3koq h GLU 5 Cb 0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3koq h GLU 5 CO -0.02 1.01 0.05 1.25 -1.00 0.00 0.00 179.01 180.30 3koq h LEU 6 N 0.81 0.28 -1.28 1.33 5.85 -0.76 -0.20 115.31 121.33 3koq h LEU 6 Ca 0.12 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3koq h LEU 6 Cb 0.71 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3koq h LEU 6 CO 0.05 0.43 -0.10 0.00 -0.34 0.00 0.00 178.44 178.49 3koq h ALA 7 N 0.85 1.41 -0.15 1.25 0.00 -0.81 -2.30 119.26 119.52 3koq h ALA 7 Ca 0.06 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 3koq h ALA 7 Cb 0.26 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3koq h ALA 7 CO 0.00 0.41 -0.71 0.87 0.00 0.00 0.00 179.25 179.82 3koq h LYS 8 N 0.35 0.74 -0.75 0.00 1.57 -0.71 -3.25 116.57 114.53 3koq h LYS 8 Ca 0.07 -0.60 0.01 0.00 -1.87 0.00 0.00 60.65 58.26 3koq h LYS 8 Cb 0.39 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 3koq h LYS 8 CO 0.02 1.21 0.49 -0.22 -0.57 0.00 0.00 179.45 180.38 3koq h LYS 9 N 0.46 0.96 -6.67 3.15 3.64 -0.78 -3.39 116.57 113.93 3koq h LYS 9 Ca -0.05 -0.06 -0.54 0.00 -1.27 0.00 0.00 60.65 58.74 3koq h LYS 9 Cb 1.34 -0.22 0.07 0.00 -0.41 0.00 0.00 32.23 33.01 3koq h LYS 9 CO 0.15 0.64 0.90 -2.13 -2.27 0.00 0.00 179.45 176.73 3koq n ARG 10 N -4.58 2.59 -4.15 1.90 0.63 -0.89 -4.80 116.66 107.36 3koq n ARG 10 Ca 0.07 0.93 -0.13 0.00 -0.92 0.00 0.00 57.85 57.80 3koq n ARG 10 Cb 0.03 -2.72 -0.07 0.00 0.45 0.00 0.00 32.46 30.15 3koq n ARG 10 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 3koq s TYR 11 N 0.60 1.06 -0.30 -0.14 1.13 -1.26 -5.00 117.35 113.44 3koq s TYR 11 Ca 0.71 -1.26 -0.20 0.00 -1.41 0.00 0.00 57.07 54.91 3koq s TYR 11 Cb -0.54 -0.32 -0.01 0.00 -1.10 0.00 0.00 41.96 39.99 3koq s TYR 11 CO 0.40 -0.86 0.63 -1.12 -2.51 0.00 0.00 175.55 172.09 3koq s SER 12 N -3.18 6.50 -0.20 -0.18 0.01 -1.26 -4.40 113.70 110.98 3koq s SER 12 Ca 0.34 0.43 -0.10 0.00 1.31 0.00 0.00 55.95 57.93 3koq s SER 12 Cb 0.03 -2.33 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 3koq s SER 12 CO 0.16 -0.48 0.13 0.00 0.41 0.00 0.00 173.24 173.46 3koq n ARG 14 N 3.63 1.02 -3.60 0.00 1.74 -1.26 -4.29 116.66 113.89 3koq n ARG 14 Ca -0.16 -1.85 -0.28 0.00 -0.77 0.00 0.00 57.85 54.79 3koq n ARG 14 Cb 0.52 -1.08 -0.16 0.00 -1.02 0.00 0.00 32.46 30.72 3koq n ARG 14 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3koq s ASN 15 N -1.91 3.19 -0.07 0.55 -0.87 -1.26 -4.90 114.94 109.66 3koq s ASN 15 Ca 0.17 -1.09 0.01 0.00 -1.57 0.00 0.00 52.86 50.38 3koq s ASN 15 Cb 0.15 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.25 40.94 3koq s ASN 15 CO 0.02 -0.40 -0.09 -0.31 -2.57 0.00 0.00 177.10 173.75 3koq s TYR 16 N 2.03 2.87 0.86 2.20 2.02 -1.26 -1.45 117.35 124.62 3koq s TYR 16 Ca 0.06 -0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.56 3koq s TYR 16 Cb -0.16 -1.71 0.11 0.00 -0.40 0.00 0.00 41.96 39.79 3koq s TYR 16 CO -0.24 0.23 1.09 -0.65 -1.57 0.00 0.00 175.55 174.41 3koq s GLN 17 N -0.64 1.56 0.60 -0.62 -0.21 0.27 -4.71 119.66 115.89 3koq s GLN 17 Ca 0.10 1.03 0.35 0.00 0.02 0.00 0.00 55.36 56.86 3koq s GLN 17 Cb -0.11 -1.83 1.91 0.00 1.00 0.00 0.00 33.01 33.98 3koq s GLN 17 CO 0.02 -2.09 2.23 0.22 -2.12 0.00 0.00 175.29 173.54 3koq h ASP 18 N -1.45 0.00 -2.37 5.90 1.82 -1.91 -3.44 116.42 114.97 3koq h ASP 18 Ca -0.47 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 55.61 3koq h ASP 18 Cb 1.26 0.00 0.05 0.00 0.68 0.00 0.00 39.33 41.33 3koq h ASP 18 CO 0.52 0.03 0.91 -1.14 -1.61 0.00 0.00 179.24 177.95 3koq n ARG 19 N -3.45 2.38 -2.01 0.28 0.63 -1.26 -4.91 116.66 108.32 3koq n ARG 19 Ca -0.02 0.86 -0.32 0.00 -0.92 0.00 0.00 57.85 57.45 3koq n ARG 19 Cb 0.14 -2.67 0.01 0.00 0.45 0.00 0.00 32.46 30.39 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 1.39 3.45 -0.03 -0.14 -0.14 -1.26 -4.53 119.74 118.49 3koq s LYS 20 Ca 0.79 1.01 -0.30 0.00 -1.36 0.00 0.00 55.97 56.12 3koq s LYS 20 Cb -0.62 -2.06 -0.03 0.00 -1.68 0.00 0.00 37.83 33.45 3koq s LYS 20 CO 0.37 -0.69 1.01 0.08 -0.76 0.00 0.00 175.35 175.37 3koq s VAL 21 N -2.74 4.77 0.33 3.17 1.01 -1.26 -4.99 120.40 120.69 3koq s VAL 21 Ca 0.60 2.00 -0.29 0.00 0.00 0.00 0.00 61.98 64.29 3koq s VAL 21 Cb -0.13 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.86 3koq s VAL 21 CO 0.42 0.11 1.41 -1.61 0.00 0.00 0.00 175.10 175.42 3koq s GLU 22 N 1.35 4.24 0.26 2.72 8.01 -1.26 -4.85 118.70 129.18 3koq s GLU 22 Ca 0.51 2.37 -0.01 0.00 0.01 0.00 0.00 54.97 57.86 3koq s GLU 22 Cb -0.21 -3.04 0.55 0.00 -4.31 0.00 0.00 34.13 27.12 3koq s GLU 22 CO 0.25 -0.38 1.74 -0.22 0.01 0.00 0.00 175.26 176.66 3koq h LYS 23 N 3.69 0.52 -0.88 1.61 3.64 -1.99 -0.78 116.57 122.38 3koq h LYS 23 Ca -0.49 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 58.94 3koq h LYS 23 Cb 1.23 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 3koq h LYS 23 CO 0.68 0.34 0.54 1.49 -2.27 0.00 0.00 179.45 180.24 3koq h GLU 24 N 0.54 0.93 -0.07 1.90 4.81 -2.00 0.12 114.58 120.81 3koq h GLU 24 Ca 0.47 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.48 3koq h GLU 24 Cb 0.73 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.91 3koq h GLU 24 CO -0.41 0.61 -0.60 0.87 -0.73 0.00 0.00 179.01 178.76 3koq h LYS 25 N 0.95 0.53 -0.34 1.92 1.57 -1.56 -3.07 116.57 116.57 3koq h LYS 25 Ca 0.40 -0.48 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3koq h LYS 25 Cb 0.25 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 3koq h LYS 25 CO -0.20 1.11 -0.00 1.25 -0.57 0.00 0.00 179.45 181.03 3koq h LEU 26 N 0.12 -0.14 -1.18 2.94 5.85 -0.87 -1.20 115.31 120.83 3koq h LEU 26 Ca -0.05 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3koq h LEU 26 Cb 1.26 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.38 3koq h LEU 26 CO 0.12 -0.04 0.56 -0.33 -0.34 0.00 0.00 178.44 178.42 3koq h GLU 27 N 0.09 1.06 -0.32 1.25 5.08 -0.82 -0.55 114.58 120.37 3koq h GLU 27 Ca 0.17 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 3koq h GLU 27 Cb 0.23 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3koq h GLU 27 CO -0.28 0.70 -0.28 0.87 -1.00 0.00 0.00 179.01 179.02 3koq h LYS 28 N 1.09 0.66 -0.36 2.33 1.57 -1.34 -0.64 116.57 119.88 3koq h LYS 28 Ca 0.33 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3koq h LYS 28 Cb -0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3koq h LYS 28 CO -0.09 0.87 0.20 0.28 -0.57 0.00 0.00 179.45 180.13 3koq h VAL 29 N 0.57 1.14 -0.35 0.50 2.07 -0.47 -2.93 116.25 116.78 3koq h VAL 29 Ca 0.07 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 3koq h VAL 29 Cb 0.77 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3koq h VAL 29 CO 0.06 0.14 -0.05 -0.07 0.02 0.00 0.00 177.57 177.68 3koq h LEU 30 N 0.45 0.54 -1.29 2.57 3.38 -0.90 -2.90 115.31 117.17 3koq h LEU 30 Ca 0.13 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.07 3koq h LEU 30 Cb 0.05 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3koq h LEU 30 CO -0.02 0.65 0.54 0.44 0.09 0.00 0.00 178.44 180.14 3koq h ASP 31 N 0.54 0.72 1.45 -0.43 3.32 -0.92 -2.03 116.42 119.06 3koq h ASP 31 Ca 0.11 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3koq h ASP 31 Cb 0.42 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3koq h ASP 31 CO 0.02 0.43 0.00 -0.37 -1.72 0.00 0.00 179.24 177.60 3koq h VAL 32 N 0.80 0.00 -0.04 -1.35 -1.51 -1.51 -2.45 116.25 110.18 3koq h VAL 32 Ca 0.38 -0.64 -0.06 0.00 -1.23 0.00 0.00 66.70 65.16 3koq h VAL 32 Cb 0.41 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 3koq h VAL 32 CO -0.15 0.00 -0.25 0.00 -1.23 0.00 0.00 177.57 175.94 3koq h ALA 33 N 2.18 1.51 0.13 5.19 0.00 -1.44 -0.85 119.26 125.97 3koq h ALA 33 Ca 0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 3koq h ALA 33 Cb 0.72 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3koq h ALA 33 CO 0.00 0.36 -1.13 -0.09 0.00 0.00 0.00 179.25 178.39 3koq h ARG 34 N 0.07 0.27 -0.21 0.00 2.43 -1.50 -3.36 114.38 112.09 3koq h ARG 34 Ca 0.01 -0.46 -0.04 0.00 -0.81 0.00 0.00 59.98 58.68 3koq h ARG 34 Cb 0.48 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3koq h ARG 34 CO 0.03 1.22 -0.04 0.97 -1.51 0.00 0.00 179.97 180.65 3koq h ILE 35 N -0.34 1.15 -2.80 1.20 2.10 -1.38 -3.45 117.51 114.00 3koq h ILE 35 Ca -0.23 -0.62 -0.59 0.00 1.08 0.00 0.00 64.86 64.50 3koq h ILE 35 Cb 1.70 1.04 0.14 0.00 -1.09 0.00 0.00 36.82 38.62 3koq h ILE 35 CO 0.10 0.20 -0.10 0.00 -1.08 0.00 0.00 178.15 177.27 3koq n ALA 36 N -2.49 -0.59 -1.93 0.18 0.00 -0.33 -4.99 120.51 110.36 3koq n ALA 36 Ca -0.00 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.29 3koq n ALA 36 Cb 0.22 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.91 4.04 0.03 0.00 0.04 -1.26 -5.03 135.00 130.91 3koq s PRO 37 Ca 0.65 0.90 -0.00 0.00 0.04 0.00 0.00 61.00 62.58 3koq s PRO 37 Cb -0.56 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 3koq s PRO 37 CO 0.56 -0.07 -0.03 0.95 0.04 0.00 0.00 177.00 178.45 3koq s THR 38 N -2.31 0.14 0.23 1.26 -4.23 -1.26 -4.80 115.64 104.66 3koq s THR 38 Ca 0.58 -1.06 -0.32 0.00 -1.18 0.00 0.00 61.69 59.71 3koq s THR 38 Cb -0.10 -0.47 -0.13 0.00 1.34 0.00 0.00 72.50 73.14 3koq s THR 38 CO 0.22 -0.58 1.55 0.61 -0.54 0.00 0.00 174.62 175.88 3koq n GLY 39 N 1.35 1.13 2.70 3.99 0.00 -1.26 -0.81 105.19 112.29 3koq n GLY 39 Ca -0.22 0.55 -0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 2.79 0.64 2.51 -0.02 0.00 -1.26 -1.81 105.19 108.04 3koq n GLY 40 Ca 0.13 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.79 -3.42 0.23 1.61 5.15 0.01 -4.86 115.26 113.18 3koq n ASN 41 Ca -0.06 0.21 0.10 0.00 -0.60 0.00 0.00 54.58 54.23 3koq n ASN 41 Cb 0.46 -2.93 0.50 0.00 -0.53 0.00 0.00 39.78 37.28 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 -0.06 0.00 -6.28 1.20 2.47 -1.52 -3.48 114.38 106.71 3koq h ARG 42 Ca -0.25 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 58.04 3koq h ARG 42 Cb 1.19 0.00 0.06 0.00 -1.65 0.00 0.00 29.97 29.57 3koq h ARG 42 CO 0.30 0.22 -0.89 1.04 0.56 0.00 0.00 179.97 181.20 3koq n GLN 43 N -3.44 -1.16 -0.01 0.04 6.02 -1.26 -4.82 117.38 112.75 3koq n GLN 43 Ca -0.00 0.53 0.13 0.00 -0.01 0.00 0.00 57.00 57.64 3koq n GLN 43 Cb 0.40 -3.91 0.65 0.00 1.02 0.00 0.00 30.24 28.41 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 -3.94 1.29 -2.60 -1.09 -0.04 -1.26 -4.90 135.00 122.46 3koq n PRO 44 Ca -0.11 -0.43 -0.40 0.00 -0.04 0.00 0.00 63.50 62.52 3koq n PRO 44 Cb 0.59 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.96 4.68 -0.08 0.54 0.00 -1.26 -0.38 119.66 121.20 3koq s GLN 45 Ca 0.38 1.63 -0.03 0.00 -0.00 0.00 0.00 55.36 57.35 3koq s GLN 45 Cb 0.19 -3.15 0.04 0.00 0.00 0.00 0.00 33.01 30.09 3koq s GLN 45 CO 0.31 0.31 0.12 0.50 0.00 0.00 0.00 175.29 176.52 3koq s ARG 46 N -1.46 -0.00 -0.06 9.60 6.06 0.06 -4.92 118.95 128.23 3koq s ARG 46 Ca 0.44 0.41 0.01 0.00 -2.50 0.00 0.00 55.73 54.10 3koq s ARG 46 Cb -0.28 -0.55 -0.03 0.00 0.06 0.00 0.00 34.95 34.14 3koq s ARG 46 CO 0.36 -0.37 -0.07 -0.51 -2.50 0.00 0.00 175.30 172.21 3koq s LEU 47 N 2.23 3.18 -0.22 -0.88 1.02 -1.26 0.04 118.68 122.79 3koq s LEU 47 Ca 0.04 -0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.17 3koq s LEU 47 Cb -0.13 -1.71 0.04 0.00 0.02 0.00 0.00 46.19 44.41 3koq s LEU 47 CO -0.05 0.35 -0.16 -0.63 0.02 0.00 0.00 176.35 175.88 3koq s ILE 48 N -0.84 2.09 -0.16 -0.59 1.01 0.00 -4.98 121.20 117.74 3koq s ILE 48 Ca 0.13 -1.26 -0.27 0.00 0.00 0.00 0.00 60.65 59.26 3koq s ILE 48 Cb -0.11 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 3koq s ILE 48 CO 0.02 0.27 0.89 -0.69 0.00 0.00 0.00 174.94 175.43 3koq s VAL 49 N 1.21 4.84 -0.23 2.92 1.01 -1.26 -1.17 120.40 127.71 3koq s VAL 49 Ca -0.02 1.77 0.02 0.00 0.00 0.00 0.00 61.98 63.75 3koq s VAL 49 Cb -0.16 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.07 3koq s VAL 49 CO -0.09 0.00 -0.10 -0.63 0.00 0.00 0.00 175.10 174.28 3koq s ILE 50 N 2.19 1.90 0.00 2.22 1.01 0.48 -4.92 121.20 124.08 3koq s ILE 50 Ca 0.41 -1.35 0.00 0.00 0.00 0.00 0.00 60.65 59.71 3koq s ILE 50 Cb -0.17 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.29 3koq s ILE 50 CO 0.13 0.04 0.05 0.00 0.00 0.00 0.00 174.94 175.16 3koq n GLN 51 N 4.56 0.00 -4.01 2.79 10.64 -1.26 -1.42 117.38 128.67 3koq n GLN 51 Ca -0.14 -0.05 -0.22 0.00 -1.83 0.00 0.00 57.00 54.76 3koq n GLN 51 Cb 0.44 -0.45 -0.04 0.00 -0.86 0.00 0.00 30.24 29.33 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 2.80 0.15 2.61 2.02 -1.26 -4.94 118.70 120.08 3koq s GLU 52 Ca 0.00 -1.18 -0.18 0.00 0.02 0.00 0.00 54.97 53.63 3koq s GLU 52 Cb 0.00 -2.50 0.05 0.00 0.10 0.00 0.00 34.13 31.78 3koq s GLU 52 CO 0.00 0.28 1.69 -0.22 0.02 0.00 0.00 175.26 177.02 3koq h LYS 53 N 1.42 0.02 -0.40 1.61 3.64 -1.99 0.00 116.57 120.89 3koq h LYS 53 Ca -0.47 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 3koq h LYS 53 Cb 1.25 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 3koq h LYS 53 CO 0.60 0.02 0.23 1.49 -2.27 0.00 0.00 179.45 179.51 3koq h GLU 54 N 0.02 0.45 -0.36 1.90 4.81 -1.99 -0.22 114.58 119.21 3koq h GLU 54 Ca 0.16 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 3koq h GLU 54 Cb 0.23 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3koq h GLU 54 CO -0.32 0.30 -0.37 0.78 -0.73 0.00 0.00 179.01 178.67 3koq h GLY 55 N 0.47 0.97 0.95 1.92 0.00 -1.88 -0.85 103.07 104.65 3koq h GLY 55 Ca 0.16 -0.99 0.01 0.00 0.00 0.00 0.00 47.33 46.50 3koq h GLY 55 CO -0.07 0.90 0.11 -2.22 0.00 0.00 0.00 176.54 175.25 3koq h ILE 56 N 0.69 1.02 -0.76 2.60 1.08 -0.84 -0.65 117.51 120.65 3koq h ILE 56 Ca 0.06 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 3koq h ILE 56 Cb 0.96 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 35.45 3koq h ILE 56 CO 0.09 0.04 0.44 0.78 -0.69 0.00 0.00 178.15 178.81 3koq h ASN 57 N 0.23 0.92 0.18 1.72 2.35 -0.98 -0.93 115.58 119.07 3koq h ASN 57 Ca 0.07 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3koq h ASN 57 Cb -0.00 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.14 3koq h ASN 57 CO -0.04 0.73 -0.09 0.11 -1.65 0.00 0.00 177.43 176.49 3koq h LYS 58 N 1.05 -0.23 -0.78 0.81 1.57 -0.78 -2.84 116.57 115.38 3koq h LYS 58 Ca 0.27 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.19 3koq h LYS 58 Cb -0.01 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.27 3koq h LYS 58 CO -0.05 -0.13 0.38 -0.07 -0.57 0.00 0.00 179.45 179.01 3koq h LEU 59 N -0.27 0.45 -2.23 2.94 3.38 -0.90 -2.12 115.31 116.57 3koq h LEU 59 Ca -0.02 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3koq h LEU 59 Cb 0.21 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3koq h LEU 59 CO 0.04 0.22 0.00 0.28 0.09 0.00 0.00 178.44 179.07 3koq h SER 60 N 0.58 0.00 1.06 -0.43 0.02 -0.98 0.15 113.55 113.96 3koq h SER 60 Ca 0.41 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.35 3koq h SER 60 Cb 0.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 3koq h SER 60 CO -0.33 0.00 -0.04 0.11 -1.14 0.00 0.00 176.83 175.43 3koq h LYS 61 N 0.00 0.00 0.00 3.45 1.57 -1.15 -3.34 116.57 117.11 3koq h LYS 61 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3koq h LYS 61 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3koq h LYS 61 CO 0.00 0.04 -1.63 0.00 -0.57 0.00 0.00 179.45 177.29 3koq n ALA 62 N -2.12 2.37 -3.36 3.86 0.00 0.47 -4.95 120.51 116.78 3koq n ALA 62 Ca 0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 3koq n ALA 62 Cb 0.34 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.81 -1.41 -0.45 0.00 0.00 -0.94 -1.36 121.76 114.79 3koq s ALA 63 Ca -0.05 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 3koq s ALA 63 Cb 0.08 0.85 0.03 0.00 0.00 0.00 0.00 23.12 24.07 3koq s ALA 63 CO 0.53 -0.77 0.99 1.21 0.00 0.00 0.00 175.76 177.73 3koq s ASN 64 N -2.78 6.56 -0.10 0.00 3.84 -1.26 -4.24 114.94 116.97 3koq s ASN 64 Ca 0.02 0.28 0.18 0.00 0.21 0.00 0.00 52.86 53.56 3koq s ASN 64 Cb -0.01 -2.48 0.68 0.00 -0.55 0.00 0.00 41.25 38.89 3koq s ASN 64 CO -0.11 -1.09 1.59 2.30 -2.79 0.00 0.00 177.10 177.01 3koq n ILE 65 N 6.49 1.74 -2.96 -5.21 -5.35 -1.26 -4.97 119.36 107.83 3koq n ILE 65 Ca 0.08 -1.21 -0.20 0.00 -0.27 0.00 0.00 62.75 61.15 3koq n ILE 65 Cb 0.49 0.16 0.01 0.00 -1.74 0.00 0.00 39.64 38.56 3koq n ILE 65 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3koq n TYR 66 N 1.05 -1.69 -2.42 4.28 4.01 -1.26 -1.18 117.16 119.95 3koq n TYR 66 Ca 0.25 0.33 -0.13 0.00 -0.16 0.00 0.00 57.90 58.19 3koq n TYR 66 Cb 0.84 -3.42 -0.01 0.00 -0.31 0.00 0.00 39.34 36.44 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 -2.22 -4.03 -4.77 7.72 8.00 -1.26 -4.29 116.55 115.70 3koq n ASP 67 Ca -0.09 0.18 -0.40 0.00 0.71 0.00 0.00 54.79 55.19 3koq n ASP 67 Cb 0.59 -3.43 0.01 0.00 -0.02 0.00 0.00 41.12 38.28 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 -2.63 3.22 -0.91 2.24 0.00 -0.32 -4.82 121.76 118.53 3koq s ALA 68 Ca 0.00 1.43 0.28 0.00 0.00 0.00 0.00 51.96 53.66 3koq s ALA 68 Cb 0.00 -3.57 1.09 0.00 0.00 0.00 0.00 23.12 20.64 3koq s ALA 68 CO 0.00 -1.15 1.87 -0.35 0.00 0.00 0.00 175.76 176.13 3koq n PRO 69 N -0.19 0.08 -3.74 0.00 -0.04 -1.26 -4.80 135.00 125.05 3koq n PRO 69 Ca 0.05 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 3koq n PRO 69 Cb 0.42 -1.60 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 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 -3.48 0.54 0.01 1.53 1.98 -1.26 -4.59 118.68 113.41 3koq s LEU 70 Ca 0.13 0.56 0.02 0.00 -2.89 0.00 0.00 54.13 51.94 3koq s LEU 70 Cb 0.17 0.84 -0.01 0.00 0.66 0.00 0.00 46.19 47.84 3koq s LEU 70 CO 0.54 -0.15 -0.06 0.00 -1.89 0.00 0.00 176.35 174.80 3koq s ALA 71 N 0.94 0.46 -0.18 5.97 0.00 -0.51 -4.43 121.76 124.02 3koq s ALA 71 Ca -0.07 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.54 3koq s ALA 71 Cb -0.08 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.00 3koq s ALA 71 CO -0.06 0.07 -0.20 0.42 0.00 0.00 0.00 175.76 175.99 3koq s ILE 72 N -0.46 2.07 -0.26 0.00 1.01 0.40 -0.39 121.20 123.57 3koq s ILE 72 Ca -0.01 -0.94 -0.24 0.00 0.00 0.00 0.00 60.65 59.45 3koq s ILE 72 Cb -0.04 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.56 3koq s ILE 72 CO -0.00 0.54 0.83 -0.22 0.00 0.00 0.00 174.94 176.09 3koq s LEU 73 N 1.25 4.07 -0.34 2.97 2.96 -0.32 -0.91 118.68 128.37 3koq s LEU 73 Ca 0.04 0.93 -0.08 0.00 -0.22 0.00 0.00 54.13 54.81 3koq s LEU 73 Cb -0.13 -3.18 0.03 0.00 0.50 0.00 0.00 46.19 43.41 3koq s LEU 73 CO -0.12 -0.56 0.12 -0.69 -1.32 0.00 0.00 176.35 173.78 3koq s VAL 74 N 2.92 4.01 0.19 1.68 1.01 0.15 -0.82 120.40 129.55 3koq s VAL 74 Ca 0.35 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3koq s VAL 74 Cb -0.15 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 3koq s VAL 74 CO 0.09 -0.14 0.27 0.00 0.00 0.00 0.00 175.10 175.32 3koq s GLY 76 N -3.51 1.53 -0.45 0.00 0.00 0.17 -0.76 107.32 104.30 3koq s GLY 76 Ca 0.33 -0.95 -0.17 0.00 0.00 0.00 0.00 44.72 43.93 3koq s GLY 76 CO 0.27 -0.58 0.46 -0.35 0.00 0.00 0.00 173.10 172.90 3koq s ASP 77 N -0.37 6.18 0.13 1.64 -1.08 0.49 -1.08 116.67 122.58 3koq s ASP 77 Ca 0.04 -0.89 0.18 0.00 -0.52 0.00 0.00 52.55 51.36 3koq s ASP 77 Cb -0.12 -2.22 0.77 0.00 -1.46 0.00 0.00 42.92 39.88 3koq s ASP 77 CO 0.02 -0.65 1.56 0.29 0.52 0.00 0.00 175.17 176.91 3koq n LYS 78 N 5.60 0.09 0.04 4.34 4.01 0.93 -1.66 118.16 131.51 3koq n LYS 78 Ca -0.09 0.35 0.13 0.00 -0.51 0.00 0.00 58.31 58.20 3koq n LYS 78 Cb 0.46 -1.68 0.40 0.00 -0.51 0.00 0.00 35.03 33.70 3koq n LYS 78 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3koq n ASP 79 N -1.86 0.45 -0.06 4.39 8.00 -1.26 -4.18 116.55 122.03 3koq n ASP 79 Ca 0.03 0.30 -0.07 0.00 0.71 0.00 0.00 54.79 55.75 3koq n ASP 79 Cb 0.18 -0.30 -0.07 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.81 1.38 -1.75 -1.24 5.02 -0.67 -5.07 118.16 114.03 3koq n LYS 80 Ca 0.06 0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 56.00 3koq n LYS 80 Cb 0.38 -1.26 0.06 0.00 -0.02 0.00 0.00 35.03 34.19 3koq n LYS 80 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3koq s VAL 81 N -2.25 2.02 0.33 -0.18 0.11 -0.92 -4.82 120.40 114.69 3koq s VAL 81 Ca -0.11 0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.68 3koq s VAL 81 Cb 0.04 -3.01 -0.10 0.00 -1.53 0.00 0.00 36.38 31.79 3koq s VAL 81 CO 0.36 -0.00 1.18 0.86 -3.33 0.00 0.00 175.10 174.17 3koq s TRP 82 N -1.35 3.28 -0.11 1.54 -0.00 -1.26 -4.92 118.94 116.12 3koq s TRP 82 Ca 0.78 1.57 0.02 0.00 -0.00 0.00 0.00 56.10 58.48 3koq s TRP 82 Cb -0.39 -3.43 -0.01 0.00 -0.00 0.00 0.00 33.47 29.64 3koq s TRP 82 CO 0.43 -1.15 -0.18 0.99 -0.00 0.00 0.00 176.95 177.04 3koq s THR 83 N -1.23 2.58 -0.05 5.86 2.01 -1.26 -2.32 115.64 121.22 3koq s THR 83 Ca 0.49 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 3koq s THR 83 Cb -0.34 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 3koq s THR 83 CO 0.44 0.55 0.97 -0.60 -0.69 0.00 0.00 174.62 175.28 3koq s ARG 84 N 0.24 4.49 0.42 4.92 3.52 0.11 -4.94 118.95 127.72 3koq s ARG 84 Ca -0.12 1.36 0.17 0.00 -0.13 0.00 0.00 55.73 57.01 3koq s ARG 84 Cb -0.16 -3.50 0.92 0.00 -1.56 0.00 0.00 34.95 30.65 3koq s ARG 84 CO 0.07 -0.16 1.90 -1.00 -0.81 0.00 0.00 175.30 175.29 3koq h PRO 85 N 6.94 0.00 -0.72 5.12 0.13 -1.95 0.15 132.00 141.66 3koq h PRO 85 Ca -0.36 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.72 3koq h PRO 85 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 3koq h PRO 85 CO 0.80 0.29 0.26 0.74 -0.23 0.00 0.00 178.00 179.86 3koq h PHE 86 N 0.00 1.12 0.00 1.56 0.04 -1.98 -3.37 116.94 114.32 3koq h PHE 86 Ca -0.00 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.67 3koq h PHE 86 Cb 0.56 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3koq h PHE 86 CO 0.00 0.88 0.00 -0.40 -0.60 0.00 0.00 178.31 178.19 3koq n ASP 87 N -4.32 0.10 -0.29 2.17 5.75 -1.22 -5.02 116.55 113.73 3koq n ASP 87 Ca 0.06 -1.01 -0.04 0.00 -0.01 0.00 0.00 54.79 53.78 3koq n ASP 87 Cb 0.20 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 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 -0.01 0.60 3.74 6.12 0.00 0.51 -4.98 105.19 111.17 3koq n GLY 88 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.67 4.16 0.01 1.61 2.20 -1.24 -4.53 119.74 120.28 3koq s LYS 89 Ca 0.00 2.51 0.01 0.00 -0.36 0.00 0.00 55.97 58.13 3koq s LYS 89 Cb 0.00 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 3koq s LYS 89 CO 0.00 -0.62 0.06 -0.65 -0.36 0.00 0.00 175.35 173.78 3koq s GLN 90 N 0.12 2.98 -0.12 4.03 -0.21 -1.26 0.09 119.66 125.29 3koq s GLN 90 Ca 0.66 -0.54 0.05 0.00 0.02 0.00 0.00 55.36 55.54 3koq s GLN 90 Cb -0.47 -2.80 0.31 0.00 1.00 0.00 0.00 33.01 31.06 3koq s GLN 90 CO 0.41 0.63 1.10 1.28 -2.12 0.00 0.00 175.29 176.59 3koq n LEU 91 N 1.12 3.33 -0.16 2.90 4.77 -0.98 -4.57 117.00 123.40 3koq n LEU 91 Ca -0.13 -1.70 -0.07 0.00 -0.03 0.00 0.00 56.01 54.08 3koq n LEU 91 Cb 0.52 -0.59 0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3koq n LEU 91 CO 0.38 0.49 1.05 0.74 -1.33 0.00 0.00 177.39 178.71 3koq h THR 92 N 1.29 1.15 -0.01 -5.08 2.02 -1.95 0.12 112.91 110.44 3koq h THR 92 Ca 0.07 -0.32 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 3koq h THR 92 Cb 1.27 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3koq h THR 92 CO 0.26 0.15 -0.71 0.44 0.37 0.00 0.00 175.52 176.03 3koq h ASP 93 N 0.65 0.06 0.15 4.18 5.19 -2.00 -2.75 116.42 121.90 3koq h ASP 93 Ca 0.17 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 3koq h ASP 93 Cb -0.02 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.48 3koq h ASP 93 CO -0.03 0.75 -0.07 0.40 -3.12 0.00 0.00 179.24 177.16 3koq h ILE 94 N 0.03 0.80 -0.20 0.35 2.04 -1.62 -2.07 117.51 116.84 3koq h ILE 94 Ca -0.01 -1.17 0.04 0.00 1.00 0.00 0.00 64.86 64.72 3koq h ILE 94 Cb 1.26 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.67 3koq h ILE 94 CO 0.10 0.22 -0.09 0.44 0.00 0.00 0.00 178.15 178.82 3koq h ASP 95 N -0.90 -0.30 0.60 1.72 3.32 -0.90 -0.83 116.42 119.14 3koq h ASP 95 Ca -0.02 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 3koq h ASP 95 Cb 0.51 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3koq h ASP 95 CO 0.03 -0.12 -0.28 0.71 -1.72 0.00 0.00 179.24 177.86 3koq h THR 96 N -0.06 0.85 0.11 0.35 1.35 -1.57 -2.60 112.91 111.33 3koq h THR 96 Ca 0.11 -1.13 -0.27 0.00 -0.55 0.00 0.00 66.41 64.57 3koq h THR 96 Cb 0.22 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3koq h THR 96 CO -0.24 0.28 -1.19 0.28 -0.25 0.00 0.00 175.52 174.39 3koq h SER 97 N 0.00 0.42 -0.21 5.36 0.02 -0.97 -0.33 113.55 117.84 3koq h SER 97 Ca -0.00 -0.43 0.02 0.00 -0.84 0.00 0.00 61.79 60.54 3koq h SER 97 Cb 0.66 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 3koq h SER 97 CO 0.04 1.32 0.05 0.40 -1.14 0.00 0.00 176.83 177.50 3koq h ILE 98 N 0.09 0.92 -0.10 3.27 2.04 -1.03 0.97 117.51 123.67 3koq h ILE 98 Ca -0.12 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.72 3koq h ILE 98 Cb 1.91 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 3koq h ILE 98 CO 0.20 0.03 -0.12 0.58 0.00 0.00 0.00 178.15 178.83 3koq h VAL 99 N 0.14 0.66 -0.66 1.67 2.07 -1.41 -0.23 116.25 118.49 3koq h VAL 99 Ca 0.09 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 3koq h VAL 99 Cb 0.08 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3koq h VAL 99 CO -0.11 0.00 0.22 0.74 0.02 0.00 0.00 177.57 178.44 3koq h THR 100 N -0.16 1.25 0.06 2.57 2.02 -0.89 -3.04 112.91 114.72 3koq h THR 100 Ca 0.08 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3koq h THR 100 Cb 0.27 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3koq h THR 100 CO -0.20 0.32 -0.04 -0.78 0.37 0.00 0.00 175.52 175.19 3koq h ASP 101 N 0.96 -0.11 0.00 4.18 3.58 -0.50 -3.42 116.42 121.11 3koq h ASP 101 Ca 0.22 0.01 -0.20 0.00 0.42 0.00 0.00 57.03 57.48 3koq h ASP 101 Cb 0.27 0.04 0.05 0.00 1.72 0.00 0.00 39.33 41.41 3koq h ASP 101 CO -0.01 -0.07 0.80 1.41 -2.88 0.00 0.00 179.24 178.49 3koq n HIS 102 N -5.15 0.00 0.00 0.28 8.25 -0.12 -4.56 115.22 113.92 3koq n HIS 102 Ca -0.07 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3koq n HIS 102 Cb 0.08 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.66 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 5.45 0.00 -0.13 2.41 4.77 -1.26 -4.59 117.00 123.64 3koq n LEU 105 Ca 0.16 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 3koq n LEU 105 Cb 0.22 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 3koq n LEU 105 CO 0.57 0.00 0.87 -0.61 -1.33 0.00 0.00 177.39 176.89 3koq h GLN 106 N 0.00 0.62 -0.65 3.23 5.75 -1.95 -2.06 115.11 120.05 3koq h GLN 106 Ca 0.00 -0.14 0.13 0.00 -0.15 0.00 0.00 58.65 58.49 3koq h GLN 106 Cb 0.00 -0.09 -0.10 0.00 1.07 0.00 0.00 27.48 28.36 3koq h GLN 106 CO 0.00 0.64 0.09 0.00 -2.65 0.00 0.00 178.83 176.91 3koq h ALA 107 N 0.96 0.74 -0.72 3.38 0.00 -1.92 -2.13 119.26 119.56 3koq h ALA 107 Ca 0.13 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3koq h ALA 107 Cb 0.29 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3koq h ALA 107 CO -0.00 -0.36 0.41 1.15 0.00 0.00 0.00 179.25 180.45 3koq h THR 108 N 0.20 1.21 -0.05 0.00 2.02 -1.54 -1.59 112.91 113.16 3koq h THR 108 Ca 0.35 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3koq h THR 108 Cb 0.57 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3koq h THR 108 CO -0.49 0.23 0.03 -0.08 0.37 0.00 0.00 175.52 175.58 3koq h GLU 109 N 0.98 0.05 -0.35 6.66 4.81 -0.73 -2.54 114.58 123.45 3koq h GLU 109 Ca 0.25 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3koq h GLU 109 Cb 0.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3koq h GLU 109 CO -0.04 0.03 0.00 1.28 -0.73 0.00 0.00 179.01 179.55 3koq n LEU 110 N -4.53 2.07 0.00 1.64 4.77 -0.65 -4.91 117.00 115.39 3koq n LEU 110 Ca -0.02 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3koq n LEU 110 Cb 0.10 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3koq n LEU 110 CO 0.34 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 3koq n GLY 111 N 1.14 0.64 3.79 -0.72 0.00 -0.96 -5.03 105.19 104.05 3koq n GLY 111 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 4.57 0.57 0.99 1.43 -0.87 -4.84 118.68 120.53 3koq s LEU 112 Ca 0.00 1.54 -0.09 0.00 -1.03 0.00 0.00 54.13 54.55 3koq s LEU 112 Cb 0.00 -3.19 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 3koq s LEU 112 CO 0.00 0.23 0.94 0.00 0.23 0.00 0.00 176.35 177.74 3koq s ALA 113 N -1.15 3.21 0.19 4.21 0.00 0.72 -4.03 121.76 124.92 3koq s ALA 113 Ca 0.34 -0.29 -0.22 0.00 0.00 0.00 0.00 51.96 51.79 3koq s ALA 113 Cb -0.22 -2.87 0.05 0.00 0.00 0.00 0.00 23.12 20.09 3koq s ALA 113 CO 0.24 -0.60 0.63 -1.54 0.00 0.00 0.00 175.76 174.49 3koq s SER 114 N -4.17 -0.47 -0.10 0.00 1.04 -1.26 -1.66 113.70 107.08 3koq s SER 114 Ca 0.52 -0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.70 3koq s SER 114 Cb -0.11 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.68 3koq s SER 114 CO 0.50 -1.07 0.25 0.54 0.98 0.00 0.00 173.24 174.43 3koq s VAL 115 N -3.80 -0.01 0.09 5.02 0.11 -0.76 -0.77 120.40 120.28 3koq s VAL 115 Ca 0.04 0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 58.85 3koq s VAL 115 Cb -0.02 -0.36 -0.06 0.00 -1.53 0.00 0.00 36.38 34.41 3koq s VAL 115 CO -0.07 0.02 0.90 0.86 -3.33 0.00 0.00 175.10 173.48 3koq s TRP 116 N 0.49 3.78 -0.18 1.54 -0.11 -1.26 -1.51 118.94 121.69 3koq s TRP 116 Ca -0.03 1.70 0.00 0.00 1.22 0.00 0.00 56.10 58.99 3koq s TRP 116 Cb -0.04 -2.98 0.04 0.00 -1.50 0.00 0.00 33.47 28.98 3koq s TRP 116 CO -0.03 0.22 -0.08 0.08 -4.62 0.00 0.00 176.95 172.52 3koq s VAL 117 N 0.01 1.39 -0.66 5.86 1.01 0.15 -4.94 120.40 123.23 3koq s VAL 117 Ca 0.44 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.71 3koq s VAL 117 Cb -0.22 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3koq s VAL 117 CO 0.28 0.18 0.50 0.00 0.00 0.00 0.00 175.10 176.06 3koq n TYR 119 N -0.69 3.83 -4.06 0.00 4.19 -1.26 -4.88 117.16 114.29 3koq n TYR 119 Ca 0.03 -2.95 -0.07 0.00 3.31 0.00 0.00 57.90 58.22 3koq n TYR 119 Cb 0.17 -2.42 -0.10 0.00 0.49 0.00 0.00 39.34 37.49 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 2.71 0.46 -0.47 2.98 -0.12 -1.26 -4.60 117.98 117.68 3koq s PHE 120 Ca 0.47 -0.99 -0.22 0.00 -0.05 0.00 0.00 56.93 56.14 3koq s PHE 120 Cb 0.09 -0.34 0.03 0.00 -0.63 0.00 0.00 43.02 42.17 3koq s PHE 120 CO -0.02 -0.39 0.73 1.21 -0.05 0.00 0.00 175.22 176.70 3koq s ASN 121 N -2.85 6.34 0.38 1.98 3.84 -0.46 -4.94 114.94 119.23 3koq s ASN 121 Ca 0.06 -0.34 0.18 0.00 0.21 0.00 0.00 52.86 52.97 3koq s ASN 121 Cb 0.07 -2.36 0.71 0.00 -0.55 0.00 0.00 41.25 39.12 3koq s ASN 121 CO -0.10 -0.91 1.75 1.55 -2.79 0.00 0.00 177.10 176.61 3koq h PRO 122 N 8.99 0.00 -0.60 0.43 0.13 -1.95 -2.48 132.00 136.53 3koq h PRO 122 Ca -0.26 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.77 3koq h PRO 122 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3koq h PRO 122 CO 0.95 0.37 -0.02 -0.44 -0.23 0.00 0.00 178.00 178.64 3koq h ASP 123 N 0.00 1.05 -0.59 1.44 3.32 -1.99 0.56 116.42 120.21 3koq h ASP 123 Ca -0.00 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 56.65 3koq h ASP 123 Cb 0.86 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3koq h ASP 123 CO 0.05 1.11 0.03 0.40 -1.72 0.00 0.00 179.24 179.11 3koq h ILE 124 N 0.97 1.26 -0.52 0.35 2.04 -1.90 -1.02 117.51 118.70 3koq h ILE 124 Ca 0.17 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 3koq h ILE 124 Cb 0.58 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3koq h ILE 124 CO 0.03 0.40 0.18 0.40 0.00 0.00 0.00 178.15 179.16 3koq h ILE 125 N 0.92 1.23 -0.61 -0.67 2.04 -1.15 -0.05 117.51 119.21 3koq h ILE 125 Ca 0.17 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3koq h ILE 125 Cb 0.51 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3koq h ILE 125 CO 0.02 0.27 0.40 0.03 0.00 0.00 0.00 178.15 178.87 3koq h ARG 126 N 0.70 0.81 0.05 2.37 3.08 -0.70 -1.45 114.38 119.24 3koq h ARG 126 Ca 0.17 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3koq h ARG 126 Cb 0.24 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3koq h ARG 126 CO -0.01 0.54 -0.02 1.49 -1.07 0.00 0.00 179.97 180.90 3koq h GLU 127 N 0.82 -0.06 -0.29 0.04 4.81 -0.97 -0.54 114.58 118.40 3koq h GLU 127 Ca 0.22 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 3koq h GLU 127 Cb -0.08 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3koq h GLU 127 CO -0.05 0.31 -0.07 0.93 -0.73 0.00 0.00 179.01 179.40 3koq h GLU 128 N -0.45 0.47 -0.50 1.92 4.39 -0.93 -2.68 114.58 116.79 3koq h GLU 128 Ca -0.01 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3koq h GLU 128 Cb 0.41 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3koq h GLU 128 CO 0.01 0.55 0.00 1.19 -1.16 0.00 0.00 179.01 179.61 3koq n PHE 129 N -4.24 0.66 -4.03 4.33 3.72 -0.55 -4.99 117.46 112.36 3koq n PHE 129 Ca 0.01 -0.42 -0.29 0.00 -0.05 0.00 0.00 57.45 56.70 3koq n PHE 129 Cb 0.28 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 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 1.21 -0.90 -4.73 4.37 7.64 -0.33 -4.90 113.62 115.98 3koq n SER 130 Ca 0.18 -1.11 -0.41 0.00 1.01 0.00 0.00 58.87 58.54 3koq n SER 130 Cb 0.54 -2.58 -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 -7.07 4.44 0.83 -3.43 1.43 -0.50 -5.02 118.68 109.36 3koq s LEU 131 Ca 0.10 2.16 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 3koq s LEU 131 Cb -0.05 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.66 3koq s LEU 131 CO 0.92 -0.36 1.09 -2.16 0.23 0.00 0.00 176.35 176.07 3koq s PRO 132 N 0.02 1.79 0.50 1.29 0.04 -1.26 -4.91 135.00 132.47 3koq s PRO 132 Ca 0.53 0.94 0.34 0.00 0.04 0.00 0.00 61.00 62.85 3koq s PRO 132 Cb -0.31 -1.86 1.64 0.00 0.04 0.00 0.00 34.50 34.01 3koq s PRO 132 CO 0.35 -1.90 2.02 -0.44 0.04 0.00 0.00 177.00 177.06 3koq h ASP 133 N -1.31 0.00 0.93 6.66 3.32 -2.02 -1.69 116.42 122.32 3koq h ASP 133 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3koq h ASP 133 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3koq h ASP 133 CO 0.54 0.00 -0.27 -0.46 -1.72 0.00 0.00 179.24 177.33 3koq n ASN 134 N -2.80 0.45 -4.48 6.45 6.94 -1.26 -4.74 115.26 115.81 3koq n ASN 134 Ca -0.01 0.23 -0.36 0.00 -0.02 0.00 0.00 54.58 54.42 3koq n ASN 134 Cb 0.16 -0.21 -0.12 0.00 -2.36 0.00 0.00 39.78 37.25 3koq n ASN 134 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3koq s LEU 135 N -3.57 3.52 -0.16 -4.53 1.43 -0.64 -0.05 118.68 114.69 3koq s LEU 135 Ca 0.11 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 3koq s LEU 135 Cb 0.16 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3koq s LEU 135 CO 0.63 0.00 -0.01 -0.70 0.23 0.00 0.00 176.35 176.50 3koq s GLU 136 N 1.40 3.75 -0.09 1.70 2.12 -0.24 -4.73 118.70 122.61 3koq s GLU 136 Ca 0.05 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.62 3koq s GLU 136 Cb -0.15 -2.99 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 3koq s GLU 136 CO 0.04 0.25 1.14 -1.25 -0.54 0.00 0.00 175.26 174.90 3koq s PRO 137 N 0.36 4.36 -0.07 4.30 0.04 -1.26 -0.66 135.00 142.06 3koq s PRO 137 Ca -0.02 1.58 -0.08 0.00 0.04 0.00 0.00 61.00 62.51 3koq s PRO 137 Cb -0.14 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 3koq s PRO 137 CO 0.02 -0.44 -0.17 -0.89 0.04 0.00 0.00 177.00 175.56 3koq n ILE 138 N 4.68 1.14 -4.42 0.56 2.08 -0.19 -4.96 119.36 118.24 3koq n ILE 138 Ca 0.11 0.10 -0.22 0.00 0.56 0.00 0.00 62.75 63.30 3koq n ILE 138 Cb 0.47 -1.86 -0.13 0.00 -0.75 0.00 0.00 39.64 37.37 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 -6.06 1.94 -0.19 4.38 0.01 -1.05 -4.80 114.94 109.17 3koq s ASN 139 Ca -0.16 -0.49 -0.02 0.00 -0.71 0.00 0.00 52.86 51.47 3koq s ASN 139 Cb 0.04 -0.13 -0.00 0.00 0.41 0.00 0.00 41.25 41.56 3koq s ASN 139 CO 0.22 0.07 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.15 3koq s ILE 140 N -0.87 3.03 -0.28 0.60 1.01 -0.34 -0.67 121.20 123.68 3koq s ILE 140 Ca 0.03 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 3koq s ILE 140 Cb -0.08 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 3koq s ILE 140 CO 0.02 0.47 0.13 -0.22 0.00 0.00 0.00 174.94 175.33 3koq s LEU 141 N 1.22 3.80 0.45 2.97 2.96 -0.09 0.32 118.68 130.32 3koq s LEU 141 Ca 0.02 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 3koq s LEU 141 Cb -0.14 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.57 3koq s LEU 141 CO -0.04 -0.09 0.60 -0.76 -1.32 0.00 0.00 176.35 174.74 3koq s LEU 142 N 1.66 3.51 0.00 -0.68 1.43 -0.57 -0.46 118.68 123.57 3koq s LEU 142 Ca 0.06 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3koq s LEU 142 Cb -0.16 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.69 3koq s LEU 142 CO 0.06 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.38 3koq n GLY 144 N -1.90 0.79 3.34 -3.19 0.00 -0.66 -1.82 105.19 101.74 3koq n GLY 144 Ca 0.09 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.27 2.80 0.19 1.61 2.02 -1.26 -0.20 117.35 119.24 3koq s TYR 145 Ca 0.00 -0.75 -0.33 0.00 -0.37 0.00 0.00 57.07 55.62 3koq s TYR 145 Cb 0.00 -1.85 -0.13 0.00 -0.40 0.00 0.00 41.96 39.57 3koq s TYR 145 CO 0.00 -0.29 1.61 -1.91 -1.57 0.00 0.00 175.55 173.39 3koq n GLU 146 N 3.67 2.35 0.02 -0.62 4.07 -1.26 -0.57 120.64 128.31 3koq n GLU 146 Ca -0.18 0.85 0.11 0.00 -0.06 0.00 0.00 57.16 57.87 3koq n GLU 146 Cb 0.52 -2.63 -0.09 0.00 -0.06 0.00 0.00 31.44 29.18 3koq n GLU 146 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3koq n SER 147 N 3.40 0.39 0.00 4.31 3.41 -0.53 -4.65 113.62 119.95 3koq n SER 147 Ca 0.16 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3koq n SER 147 Cb 0.31 1.36 0.00 0.00 -0.26 0.00 0.00 64.21 65.62 3koq n SER 147 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3koq n LYS 148 N -2.18 1.51 -4.02 4.33 5.02 -1.26 -4.97 118.16 116.59 3koq n LYS 148 Ca -0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.93 3koq n LYS 148 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.42 3koq n LYS 148 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3koq s ILE 149 N 4.20 4.75 0.69 -0.18 1.01 -1.26 -5.09 121.20 125.32 3koq s ILE 149 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 60.65 60.43 3koq s ILE 149 Cb 0.00 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.34 3koq s ILE 149 CO 0.00 0.46 1.26 -2.16 0.00 0.00 0.00 174.94 174.50 3koq s PRO 150 N 0.37 2.35 0.75 2.79 0.04 -1.26 -4.98 135.00 135.06 3koq s PRO 150 Ca 0.03 1.94 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 3koq s PRO 150 Cb -0.12 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.63 3koq s PRO 150 CO 0.00 -1.72 1.13 -1.21 0.04 0.00 0.00 177.00 175.24 3koq s GLU 151 N -3.60 2.20 0.23 4.56 0.41 -1.26 -4.99 118.70 116.24 3koq s GLU 151 Ca 0.79 1.41 -0.30 0.00 -0.41 0.00 0.00 54.97 56.47 3koq s GLU 151 Cb -0.34 -1.87 -0.09 0.00 -1.78 0.00 0.00 34.13 30.05 3koq s GLU 151 CO 0.42 -1.72 1.04 0.45 -0.49 0.00 0.00 175.26 174.96 3koq s SER 152 N -2.76 7.39 0.02 -0.19 0.15 -1.26 -4.93 113.70 112.12 3koq s SER 152 Ca 0.66 2.09 0.13 0.00 0.70 0.00 0.00 55.95 59.54 3koq s SER 152 Cb -0.21 -2.61 0.56 0.00 -1.71 0.00 0.00 66.02 62.04 3koq s SER 152 CO 0.50 -0.07 1.42 -0.81 1.20 0.00 0.00 173.24 175.47 3koq n PRO 153 N 1.73 0.01 -0.77 5.44 -0.04 -1.26 -2.40 135.00 137.71 3koq n PRO 153 Ca -0.00 0.30 -0.03 0.00 -0.04 0.00 0.00 63.50 63.72 3koq n PRO 153 Cb 0.46 -1.52 0.21 0.00 -0.04 0.00 0.00 33.50 32.60 3koq n PRO 153 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3koq n GLU 154 N -1.55 2.02 0.12 0.54 -0.58 -1.26 -4.66 120.64 115.27 3koq n GLU 154 Ca 0.03 -3.12 0.13 0.00 -0.42 0.00 0.00 57.16 53.78 3koq n GLU 154 Cb 0.15 -1.84 0.40 0.00 -0.57 0.00 0.00 31.44 29.58 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 1.12 0.00 0.00 3.49 0.11 -1.84 -3.38 114.38 113.87 3koq h ARG 155 Ca 0.21 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.27 3koq h ARG 155 Cb 1.69 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.76 3koq h ARG 155 CO 0.40 0.00 -0.07 0.45 0.10 0.00 0.00 179.97 180.85 3koq h HIS 156 N 0.00 0.00 0.00 4.08 -0.00 -1.84 0.22 115.15 117.60 3koq h HIS 156 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3koq h HIS 156 Cb 0.72 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.13 3koq h HIS 156 CO 0.00 0.07 -0.02 1.05 -0.00 0.00 0.00 177.93 179.03 3koq h GLU 157 N 0.00 0.00 0.00 2.45 9.09 -1.87 -1.08 114.58 123.18 3koq h GLU 157 Ca -0.00 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.22 3koq h GLU 157 Cb 0.26 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.32 3koq h GLU 157 CO 0.01 0.02 -1.79 1.63 0.05 0.00 0.00 179.01 178.93 3koq n LYS 158 N -4.36 0.65 -0.08 1.06 5.02 -0.02 -4.59 118.16 115.83 3koq n LYS 158 Ca -0.03 0.07 0.07 0.00 -2.02 0.00 0.00 58.31 56.40 3koq n LYS 158 Cb 0.11 -1.67 0.11 0.00 -0.02 0.00 0.00 35.03 33.55 3koq n LYS 158 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3koq n THR 159 N -2.72 0.40 -4.05 -0.18 -2.24 -0.71 -4.97 114.28 99.81 3koq n THR 159 Ca -0.15 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 60.81 3koq n THR 159 Cb 0.87 0.96 -0.12 0.00 -2.10 0.00 0.00 70.33 69.94 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 -1.06 0.44 0.74 -0.78 1.81 -0.44 -5.00 118.95 114.66 3koq s ARG 160 Ca 0.20 -0.61 -0.11 0.00 -1.72 0.00 0.00 55.73 53.49 3koq s ARG 160 Cb 0.12 -0.20 0.04 0.00 -0.45 0.00 0.00 34.95 34.46 3koq s ARG 160 CO 0.17 0.03 1.08 0.14 -0.68 0.00 0.00 175.30 176.05 3koq s VAL 161 N -1.15 3.50 0.56 3.52 -7.23 -1.26 -4.78 120.40 113.56 3koq s VAL 161 Ca -0.09 0.51 -0.21 0.00 -1.81 0.00 0.00 61.98 60.38 3koq s VAL 161 Cb -0.08 -3.06 -0.05 0.00 0.56 0.00 0.00 36.38 33.75 3koq s VAL 161 CO -0.00 -0.62 1.27 -2.65 -0.31 0.00 0.00 175.10 172.79 3koq n PRO 162 N -3.31 1.47 -0.31 4.82 -0.02 -1.26 -4.91 135.00 131.48 3koq n PRO 162 Ca 0.09 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 3koq n PRO 162 Cb 0.53 -2.47 0.29 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.17 0.47 -1.62 2.45 5.85 -2.00 -1.61 115.31 120.02 3koq h LEU 163 Ca -0.50 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3koq h LEU 163 Cb 1.32 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.42 3koq h LEU 163 CO 0.55 0.10 0.00 0.77 -0.34 0.00 0.00 178.44 179.53 3koq h SER 164 N 0.52 0.00 1.44 1.25 4.64 -1.91 -1.02 113.55 118.48 3koq h SER 164 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3koq h SER 164 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3koq h SER 164 CO -0.46 0.00 -0.33 -0.33 -0.87 0.00 0.00 176.83 174.84 3koq h GLU 165 N 0.00 0.00 -0.01 4.77 5.08 -1.65 -3.36 114.58 119.42 3koq h GLU 165 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3koq h GLU 165 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3koq h GLU 165 CO 0.00 0.00 -0.10 0.44 -1.00 0.00 0.00 179.01 178.35 3koq n ILE 166 N -2.62 0.00 -4.82 3.13 -5.35 -0.41 -5.02 119.36 104.28 3koq n ILE 166 Ca 0.03 -0.45 -0.27 0.00 -0.27 0.00 0.00 62.75 61.79 3koq n ILE 166 Cb 0.49 1.13 -0.17 0.00 -1.74 0.00 0.00 39.64 39.36 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 -0.99 1.46 0.29 7.28 1.01 -1.06 -5.14 120.40 123.24 3koq s VAL 167 Ca 0.08 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.41 3koq s VAL 167 Cb 0.07 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 3koq s VAL 167 CO 0.16 0.43 0.05 -0.94 0.00 0.00 0.00 175.10 174.80 3koq s SER 168 N 0.46 1.96 -0.17 3.32 1.04 -1.26 -4.77 113.70 114.26 3koq s SER 168 Ca -0.14 -1.34 -0.01 0.00 0.48 0.00 0.00 55.95 54.94 3koq s SER 168 Cb -0.16 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 3koq s SER 168 CO 0.05 -0.61 -0.11 -0.31 0.98 0.00 0.00 173.24 173.24 3koq s TYR 169 N -3.43 2.86 0.00 5.02 1.51 -1.26 -4.80 117.35 117.25 3koq s TYR 169 Ca 0.35 -0.94 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 3koq s TYR 169 Cb 0.08 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.97 3koq s TYR 169 CO 0.13 -0.45 0.00 0.39 -1.11 0.00 0.00 175.55 174.51 3koq n GLU 170 N 4.23 0.00 -4.38 -0.62 -0.58 -1.26 -4.78 120.64 113.25 3koq n GLU 170 Ca -0.19 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.37 3koq n GLU 170 Cb 0.51 -0.27 -0.10 0.00 -0.57 0.00 0.00 31.44 31.01 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 1.01 -1.64 2.62 -4.23 -1.26 -5.35 115.64 106.79 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 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3koq s THR 171 CO 0.00 -0.13 0.41 0.18 -0.54 0.00 0.00 174.62 174.54