#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kth s PRO 4 N 0.00 3.67 -0.47 0.00 0.04 -1.26 -4.88 135.00 132.10 3kth s PRO 4 Ca 0.00 0.44 -0.28 0.00 0.04 0.00 0.00 61.00 61.20 3kth s PRO 4 Cb 0.00 -3.91 -0.01 0.00 0.04 0.00 0.00 34.50 30.62 3kth s PRO 4 CO 0.00 -1.32 1.68 0.99 0.04 0.00 0.00 177.00 178.38 3kth s THR 5 N 4.21 3.57 -0.21 1.26 2.01 -1.26 -2.95 115.64 122.27 3kth s THR 5 Ca 0.44 0.51 -0.04 0.00 0.31 0.00 0.00 61.69 62.92 3kth s THR 5 Cb -0.08 -3.98 0.10 0.00 0.01 0.00 0.00 72.50 68.55 3kth s THR 5 CO 0.30 -0.76 0.23 0.54 -0.69 0.00 0.00 174.62 174.24 3kth s VAL 6 N 7.11 -0.35 -1.51 3.82 0.11 -1.26 -3.97 120.40 124.35 3kth s VAL 6 Ca 0.68 -0.12 0.25 0.00 -2.93 0.00 0.00 61.98 59.86 3kth s VAL 6 Cb -0.16 -0.69 0.10 0.00 -1.53 0.00 0.00 36.38 34.10 3kth s VAL 6 CO 0.28 -0.20 1.38 -0.38 -3.33 0.00 0.00 175.10 172.85 3kth n ILE 7 N 5.32 0.00 0.00 7.04 -0.00 -1.26 -4.62 119.36 125.84 3kth n ILE 7 Ca -0.05 -0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.60 3kth n ILE 7 Cb 0.50 0.56 0.00 0.00 -0.00 0.00 0.00 39.64 40.69 3kth n ILE 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3kth n TYR 17 N -0.87 0.00 -1.91 1.39 9.36 -1.25 -5.24 117.16 118.64 3kth n TYR 17 Ca 0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.31 3kth n TYR 17 Cb 0.36 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 3kth n TYR 17 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3kth n ASP 18 N 0.00 -6.57 -0.01 2.98 2.03 -1.26 -4.31 116.55 109.41 3kth n ASP 18 Ca 0.00 1.30 -0.10 0.00 0.52 0.00 0.00 54.79 56.51 3kth n ASP 18 Cb 0.00 -4.13 -0.03 0.00 -0.72 0.00 0.00 41.12 36.23 3kth n ASP 18 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3kth h ILE 19 N 3.69 0.33 -0.67 5.18 6.09 -1.85 -2.12 117.51 128.17 3kth h ILE 19 Ca 0.00 0.00 0.15 0.00 -1.37 0.00 0.00 64.86 63.64 3kth h ILE 19 Cb 0.00 0.33 -0.04 0.00 0.47 0.00 0.00 36.82 37.58 3kth h ILE 19 CO 0.00 0.00 0.46 1.88 -3.07 0.00 0.00 178.15 177.42 3kth h TYR 20 N -0.36 0.28 -0.19 2.19 0.05 -1.91 -1.90 116.97 115.13 3kth h TYR 20 Ca 0.10 0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.75 3kth h TYR 20 Cb 0.52 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.17 3kth h TYR 20 CO -0.39 0.11 -0.43 0.77 -1.05 0.00 0.00 178.16 177.16 3kth h SER 21 N 0.24 0.70 -0.40 3.88 0.02 -1.61 -2.31 113.55 114.07 3kth h SER 21 Ca 0.32 -0.57 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3kth h SER 21 Cb 0.93 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 3kth h SER 21 CO -0.07 1.14 0.15 -0.09 -1.14 0.00 0.00 176.83 176.82 3kth h ARG 22 N 0.30 0.67 0.00 3.45 9.65 -1.17 -1.02 114.38 126.26 3kth h ARG 22 Ca -0.00 -0.11 -0.08 0.00 -1.10 0.00 0.00 59.98 58.69 3kth h ARG 22 Cb 1.04 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.49 3kth h ARG 22 CO 0.09 0.59 -0.38 1.25 2.80 0.00 0.00 179.97 184.32 3kth h LEU 23 N 0.66 0.00 -1.10 3.80 5.85 -1.36 -1.67 115.31 121.48 3kth h LEU 23 Ca 0.16 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3kth h LEU 23 Cb 0.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3kth h LEU 23 CO -0.01 0.38 -0.36 0.25 -0.34 0.00 0.00 178.44 178.35 3kth h LEU 24 N 0.00 0.00 -1.81 2.25 5.85 -0.62 -2.44 115.31 118.55 3kth h LEU 24 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3kth h LEU 24 Cb 0.71 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 3kth h LEU 24 CO 0.05 0.36 -0.06 0.50 -0.34 0.00 0.00 178.44 178.96 3kth h LYS 25 N 0.00 0.05 -0.67 1.25 3.64 -0.82 0.10 116.57 120.13 3kth h LYS 25 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3kth h LYS 25 Cb 0.80 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3kth h LYS 25 CO 0.05 0.11 0.00 -0.25 -2.27 0.00 0.00 179.45 177.09 3kth n ASP 26 N -4.44 4.69 -3.06 4.20 10.43 -0.98 -4.91 116.55 122.46 3kth n ASP 26 Ca -0.02 -2.71 -0.14 0.00 2.57 0.00 0.00 54.79 54.49 3kth n ASP 26 Cb 0.15 -0.64 0.08 0.00 1.84 0.00 0.00 41.12 42.55 3kth n ASP 26 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3kth n ARG 27 N 0.53 -5.45 -4.44 -1.24 1.74 0.36 -4.93 116.66 103.23 3kth n ARG 27 Ca 0.22 0.72 -0.26 0.00 -0.77 0.00 0.00 57.85 57.76 3kth n ARG 27 Cb 0.98 -5.36 -0.17 0.00 -1.02 0.00 0.00 32.46 26.90 3kth n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kth s ILE 28 N -3.31 1.20 -0.14 0.55 1.01 -0.96 -2.09 121.20 117.47 3kth s ILE 28 Ca 0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 3kth s ILE 28 Cb -0.00 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 3kth s ILE 28 CO 0.62 0.38 -0.07 -0.63 0.00 0.00 0.00 174.94 175.24 3kth s ILE 29 N 0.92 3.60 -0.28 2.92 1.01 0.43 -3.51 121.20 126.30 3kth s ILE 29 Ca -0.09 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 3kth s ILE 29 Cb -0.15 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 3kth s ILE 29 CO 0.00 0.52 0.08 -0.04 0.00 0.00 0.00 174.94 175.50 3kth s MET 30 N 0.22 3.31 -0.40 2.79 -1.94 -1.26 -1.24 119.30 120.77 3kth s MET 30 Ca -0.04 -0.71 -0.05 0.00 -1.71 0.00 0.00 55.69 53.18 3kth s MET 30 Cb -0.14 -3.36 0.09 0.00 2.01 0.00 0.00 34.83 33.43 3kth s MET 30 CO 0.04 -0.35 0.19 -1.17 -0.01 0.00 0.00 175.02 173.72 3kth s LEU 31 N 1.55 5.01 -0.39 -0.03 2.96 -0.66 -4.95 118.68 122.17 3kth s LEU 31 Ca 0.04 -1.75 0.12 0.00 -0.22 0.00 0.00 54.13 52.32 3kth s LEU 31 Cb -0.16 -1.86 0.42 0.00 0.50 0.00 0.00 46.19 45.09 3kth s LEU 31 CO 0.03 -0.50 0.98 0.61 -1.32 0.00 0.00 176.35 176.15 3kth n GLY 32 N 4.70 3.61 3.83 7.98 0.00 -1.26 -1.33 105.19 122.72 3kth n GLY 32 Ca -0.07 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 43.94 3kth n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kth s SER 33 N -3.21 -0.08 0.99 1.61 1.04 -1.22 -4.94 113.70 107.90 3kth s SER 33 Ca 0.37 -0.78 -0.11 0.00 0.48 0.00 0.00 55.95 55.91 3kth s SER 33 Cb 0.41 0.66 0.19 0.00 0.10 0.00 0.00 66.02 67.38 3kth s SER 33 CO -0.07 -1.29 1.09 0.00 0.98 0.00 0.00 173.24 173.95 3kth s ALA 34 N -2.73 0.83 -0.32 5.32 0.00 -1.26 -4.42 121.76 119.18 3kth s ALA 34 Ca 0.16 0.13 -0.07 0.00 0.00 0.00 0.00 51.96 52.17 3kth s ALA 34 Cb -0.04 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.81 3kth s ALA 34 CO 0.07 -2.99 0.11 0.42 0.00 0.00 0.00 175.76 173.37 3kth s ILE 35 N -2.68 4.03 0.23 0.00 1.01 0.73 -4.87 121.20 119.64 3kth s ILE 35 Ca 0.66 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.51 3kth s ILE 35 Cb -0.22 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 3kth s ILE 35 CO 0.60 -0.03 0.06 1.51 0.00 0.00 0.00 174.94 177.08 3kth s ASP 36 N 1.49 1.19 0.34 3.58 3.84 -1.26 -0.18 116.67 125.67 3kth s ASP 36 Ca 0.01 -1.30 0.20 0.00 -0.00 0.00 0.00 52.55 51.46 3kth s ASP 36 Cb -0.18 0.15 1.24 0.00 -1.38 0.00 0.00 42.92 42.75 3kth s ASP 36 CO 0.03 -0.67 1.45 0.47 -0.00 0.00 0.00 175.17 176.45 3kth n ASP 37 N -0.38 0.32 0.09 2.11 10.43 -1.26 -0.76 116.55 127.10 3kth n ASP 37 Ca -0.02 1.51 -0.12 0.00 2.57 0.00 0.00 54.79 58.73 3kth n ASP 37 Cb 0.65 -0.74 -0.08 0.00 1.84 0.00 0.00 41.12 42.79 3kth n ASP 37 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 177.20 175.00 3kth h ASN 38 N 0.00 -0.23 -0.74 -2.24 -0.73 -1.99 -1.46 115.58 108.19 3kth h ASN 38 Ca 0.78 -0.29 0.04 0.00 1.87 0.00 0.00 56.30 58.70 3kth h ASN 38 Cb 2.09 0.06 -0.05 0.00 0.27 0.00 0.00 38.32 40.69 3kth h ASN 38 CO -0.69 0.22 0.46 0.58 -0.37 0.00 0.00 177.43 177.62 3kth h VAL 39 N -0.76 1.08 -0.28 2.57 2.07 -1.28 -1.46 116.25 118.18 3kth h VAL 39 Ca -0.03 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3kth h VAL 39 Cb 0.51 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3kth h VAL 39 CO 0.05 0.16 0.15 0.00 0.02 0.00 0.00 177.57 177.95 3kth h ALA 40 N 1.33 0.35 -0.85 1.67 0.00 -1.06 -1.10 119.26 119.59 3kth h ALA 40 Ca 0.30 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.29 3kth h ALA 40 Cb 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3kth h ALA 40 CO -0.13 -0.23 0.55 -0.97 0.00 0.00 0.00 179.25 178.48 3kth h ASN 41 N 0.31 0.82 0.20 0.00 -0.00 -0.36 0.12 115.58 116.68 3kth h ASN 41 Ca 0.11 0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.41 3kth h ASN 41 Cb 0.02 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 38.18 3kth h ASN 41 CO -0.07 0.52 -0.10 -1.28 -0.00 0.00 0.00 177.43 176.51 3kth h SER 42 N 0.93 -0.23 -0.92 1.15 0.87 -0.69 -2.22 113.55 112.44 3kth h SER 42 Ca 0.37 -0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3kth h SER 42 Cb 0.25 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.22 3kth h SER 42 CO -0.14 0.21 0.61 0.40 -0.53 0.00 0.00 176.83 177.38 3kth h ILE 43 N -0.73 1.21 -0.39 2.23 2.04 -0.91 0.11 117.51 121.08 3kth h ILE 43 Ca -0.03 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3kth h ILE 43 Cb 0.50 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 3kth h ILE 43 CO 0.05 0.22 0.15 0.58 0.00 0.00 0.00 178.15 179.15 3kth h VAL 44 N 1.22 1.20 -0.95 1.67 2.07 -0.81 0.39 116.25 121.03 3kth h VAL 44 Ca 0.35 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.29 3kth h VAL 44 Cb -0.09 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3kth h VAL 44 CO -0.09 0.22 0.61 0.28 0.02 0.00 0.00 177.57 178.62 3kth h SER 45 N 0.48 1.01 -0.39 0.57 0.02 -0.63 0.62 113.55 115.23 3kth h SER 45 Ca 0.13 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3kth h SER 45 Cb 0.20 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3kth h SER 45 CO -0.01 0.69 0.08 1.56 -1.14 0.00 0.00 176.83 178.00 3kth h GLN 46 N 1.18 0.64 0.01 3.45 4.20 -0.19 -1.18 115.11 123.22 3kth h GLN 46 Ca 0.38 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.94 3kth h GLN 46 Cb 0.03 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3kth h GLN 46 CO -0.13 0.68 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.59 3kth h LEU 47 N 0.49 -0.13 -0.89 1.46 3.38 -0.11 -0.85 115.31 118.67 3kth h LEU 47 Ca 0.12 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3kth h LEU 47 Cb 0.34 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3kth h LEU 47 CO 0.00 -0.07 0.55 -0.07 0.09 0.00 0.00 178.44 178.94 3kth h LEU 48 N -0.09 0.83 -0.06 1.67 3.38 -0.76 -1.66 115.31 118.62 3kth h LEU 48 Ca 0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kth h LEU 48 Cb 0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kth h LEU 48 CO -0.04 0.50 0.03 0.15 0.09 0.00 0.00 178.44 179.16 3kth h PHE 49 N 0.94 0.10 -0.81 1.13 3.57 -0.74 -2.49 116.94 118.65 3kth h PHE 49 Ca 0.41 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.94 3kth h PHE 49 Cb 0.29 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 3kth h PHE 49 CO -0.03 0.20 0.53 -0.07 -2.23 0.00 0.00 178.31 176.71 3kth h LEU 50 N -0.04 0.86 -1.53 0.59 3.38 -0.69 -1.49 115.31 116.39 3kth h LEU 50 Ca 0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3kth h LEU 50 Cb 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3kth h LEU 50 CO -0.00 0.59 -0.22 0.00 0.09 0.00 0.00 178.44 178.91 3kth h ALA 51 N 1.53 1.23 0.00 1.53 0.00 -1.09 -2.47 119.26 119.98 3kth h ALA 51 Ca 0.32 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 3kth h ALA 51 Cb 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3kth h ALA 51 CO -0.09 0.27 -1.03 0.00 0.00 0.00 0.00 179.25 178.40 3kth h ALA 52 N 1.78 0.45 -0.11 0.00 0.00 -0.84 -2.92 119.26 117.63 3kth h ALA 52 Ca -0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 54.91 53.81 3kth h ALA 52 Cb 0.53 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kth h ALA 52 CO 0.03 1.20 -0.71 0.93 0.00 0.00 0.00 179.25 180.70 3kth h GLU 53 N 0.00 0.52 -0.58 0.00 4.39 -0.97 -3.43 114.58 114.50 3kth h GLU 53 Ca -0.05 -0.40 0.06 0.00 0.34 0.00 0.00 59.36 59.31 3kth h GLU 53 Cb 1.74 0.08 -0.19 0.00 -0.10 0.00 0.00 28.75 30.28 3kth h GLU 53 CO 0.11 1.03 -0.25 0.34 -1.16 0.00 0.00 179.01 179.09 3kth s ASP 54 N -6.99 -0.91 0.00 1.42 -1.08 -1.06 -5.01 116.67 103.04 3kth s ASP 54 Ca -0.07 -0.31 0.11 0.00 -0.52 0.00 0.00 52.55 51.75 3kth s ASP 54 Cb 0.10 1.26 0.63 0.00 -1.46 0.00 0.00 42.92 43.45 3kth s ASP 54 CO 0.85 -0.12 1.06 -0.81 0.52 0.00 0.00 175.17 176.67 3kth n PRO 55 N 4.34 0.38 -0.10 4.34 -0.04 -1.10 -3.02 135.00 139.80 3kth n PRO 55 Ca 0.08 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 3kth n PRO 55 Cb 0.59 -1.43 -0.12 0.00 -0.04 0.00 0.00 33.50 32.50 3kth n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kth n GLU 56 N -0.93 0.62 -2.10 0.54 -0.58 -1.26 -3.28 120.64 113.65 3kth n GLU 56 Ca 0.08 0.36 -0.38 0.00 -0.42 0.00 0.00 57.16 56.80 3kth n GLU 56 Cb 0.04 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 3kth n GLU 56 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kth s LYS 57 N -2.47 3.67 0.83 3.49 1.02 -1.17 -4.79 119.74 120.33 3kth s LYS 57 Ca -0.32 1.97 -0.11 0.00 0.02 0.00 0.00 55.97 57.54 3kth s LYS 57 Cb 0.09 -2.46 0.09 0.00 -0.52 0.00 0.00 37.83 35.04 3kth s LYS 57 CO 0.60 -0.68 1.10 -2.00 -0.92 0.00 0.00 175.35 173.45 3kth s GLU 58 N -2.63 1.73 0.00 1.68 2.12 -1.26 -4.52 118.70 115.83 3kth s GLU 58 Ca 0.64 1.23 0.04 0.00 0.36 0.00 0.00 54.97 57.23 3kth s GLU 58 Cb -0.33 -1.83 -0.01 0.00 0.26 0.00 0.00 34.13 32.21 3kth s GLU 58 CO 0.41 -2.03 -0.12 0.42 -0.54 0.00 0.00 175.26 173.40 3kth s ILE 59 N -2.83 0.94 -0.14 -3.70 1.01 -0.76 -4.94 121.20 110.79 3kth s ILE 59 Ca 0.63 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.66 3kth s ILE 59 Cb -0.19 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 3kth s ILE 59 CO 0.57 0.18 -0.16 -0.44 0.00 0.00 0.00 174.94 175.09 3kth s SER 60 N -0.50 3.70 -0.44 3.58 0.01 -0.89 0.54 113.70 119.70 3kth s SER 60 Ca 0.03 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.86 3kth s SER 60 Cb -0.05 -1.56 0.12 0.00 0.21 0.00 0.00 66.02 64.74 3kth s SER 60 CO -0.00 0.12 0.21 -0.22 0.41 0.00 0.00 173.24 173.76 3kth s LEU 61 N 0.62 4.97 0.26 2.44 2.96 0.13 -0.42 118.68 129.63 3kth s LEU 61 Ca -0.09 -2.36 -0.29 0.00 -0.22 0.00 0.00 54.13 51.17 3kth s LEU 61 Cb -0.16 -1.75 -0.09 0.00 0.50 0.00 0.00 46.19 44.69 3kth s LEU 61 CO 0.03 -0.42 1.19 -0.31 -1.32 0.00 0.00 176.35 175.52 3kth s TYR 62 N 0.65 3.39 -0.09 5.38 1.51 -0.38 -2.46 117.35 125.34 3kth s TYR 62 Ca 0.12 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.71 3kth s TYR 62 Cb -0.22 -3.44 0.02 0.00 -0.11 0.00 0.00 41.96 38.21 3kth s TYR 62 CO -0.05 -1.13 -0.09 0.42 -1.11 0.00 0.00 175.55 173.59 3kth s ILE 63 N -0.77 1.03 -0.43 2.71 1.01 0.07 -1.65 121.20 123.17 3kth s ILE 63 Ca 0.49 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.85 3kth s ILE 63 Cb -0.34 -1.01 0.17 0.00 0.01 0.00 0.00 42.46 41.28 3kth s ILE 63 CO 0.43 0.36 0.45 0.21 0.00 0.00 0.00 174.94 176.38 3kth s ASN 64 N 1.35 0.64 0.01 3.58 2.47 -0.44 -0.83 114.94 121.72 3kth s ASN 64 Ca -0.02 -2.43 0.01 0.00 0.42 0.00 0.00 52.86 50.84 3kth s ASN 64 Cb -0.14 0.37 -0.01 0.00 -1.45 0.00 0.00 41.25 40.02 3kth s ASN 64 CO -0.04 -0.16 -0.04 -0.55 -3.72 0.00 0.00 177.10 172.60 3kth s SER 65 N 0.55 0.38 0.00 -4.21 0.15 0.90 -3.37 113.70 108.09 3kth s SER 65 Ca 0.29 -0.26 0.28 0.00 0.70 0.00 0.00 55.95 56.96 3kth s SER 65 Cb -0.01 0.02 1.44 0.00 -1.71 0.00 0.00 66.02 65.75 3kth s SER 65 CO -0.12 -0.10 1.96 -0.81 1.20 0.00 0.00 173.24 175.37 3kth n PRO 66 N 2.35 0.45 0.00 5.44 -0.04 -1.26 -1.65 135.00 140.29 3kth n PRO 66 Ca -0.17 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3kth n PRO 66 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3kth n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kth n GLY 67 N 1.04 -0.27 0.00 0.55 0.00 -1.15 -4.41 105.19 100.94 3kth n GLY 67 Ca 0.14 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3kth n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kth n GLY 68 N 0.00 -0.65 3.74 -0.02 0.00 -1.26 -0.19 105.19 106.80 3kth n GLY 68 Ca 0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 3kth n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kth s SER 69 N -4.00 7.15 0.17 1.61 0.15 0.75 -4.77 113.70 114.76 3kth s SER 69 Ca 0.00 2.18 -0.15 0.00 0.70 0.00 0.00 55.95 58.69 3kth s SER 69 Cb 0.00 -2.61 0.10 0.00 -1.71 0.00 0.00 66.02 61.80 3kth s SER 69 CO 0.00 -0.32 1.76 0.40 1.20 0.00 0.00 173.24 176.29 3kth h ILE 70 N 3.74 0.92 -0.07 6.45 5.03 -1.96 -1.32 117.51 130.30 3kth h ILE 70 Ca -0.44 -0.13 -0.01 0.00 -0.12 0.00 0.00 64.86 64.16 3kth h ILE 70 Cb 1.21 0.51 -0.00 0.00 -3.03 0.00 0.00 36.82 35.51 3kth h ILE 70 CO 0.74 0.07 0.00 0.71 -0.68 0.00 0.00 178.15 178.98 3kth h THR 71 N 0.37 1.25 -1.00 -0.27 1.35 -1.98 -1.87 112.91 110.76 3kth h THR 71 Ca 0.19 -0.77 0.18 0.00 -0.55 0.00 0.00 66.41 65.46 3kth h THR 71 Cb 0.14 1.63 -0.10 0.00 -1.73 0.00 0.00 68.15 68.09 3kth h THR 71 CO -0.17 0.21 0.61 0.00 -0.25 0.00 0.00 175.52 175.93 3kth h ALA 72 N 0.73 1.65 0.46 6.62 0.00 -1.87 -0.43 119.26 126.42 3kth h ALA 72 Ca 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kth h ALA 72 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kth h ALA 72 CO 0.00 -0.01 -0.22 0.78 0.00 0.00 0.00 179.25 179.80 3kth h GLY 73 N 0.80 -0.64 0.63 0.00 0.00 -0.95 -2.91 103.07 100.00 3kth h GLY 73 Ca 0.57 0.24 0.14 0.00 0.00 0.00 0.00 47.33 48.28 3kth h GLY 73 CO -0.37 -0.23 0.53 -0.33 0.00 0.00 0.00 176.54 176.14 3kth h MET 74 N -0.82 0.53 -0.03 4.80 2.86 -0.57 0.11 114.93 121.80 3kth h MET 74 Ca -0.06 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3kth h MET 74 Cb 0.56 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 3kth h MET 74 CO 0.10 0.35 -0.18 0.00 1.06 0.00 0.00 176.91 178.24 3kth h ALA 75 N 1.62 -0.19 0.47 6.32 0.00 -0.95 0.22 119.26 126.75 3kth h ALA 75 Ca 0.40 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3kth h ALA 75 Cb 0.78 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3kth h ALA 75 CO -0.15 -0.66 -0.34 0.82 0.00 0.00 0.00 179.25 178.91 3kth h ILE 76 N -0.27 0.30 -0.10 0.00 1.08 -0.71 -1.47 117.51 116.34 3kth h ILE 76 Ca 0.07 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.55 3kth h ILE 76 Cb 0.36 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 3kth h ILE 76 CO -0.19 0.00 -0.08 0.22 -0.69 0.00 0.00 178.15 177.41 3kth h TYR 77 N -0.79 -0.24 -0.81 1.37 3.20 -0.42 0.81 116.97 120.08 3kth h TYR 77 Ca -0.05 0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.01 3kth h TYR 77 Cb 0.67 0.12 -0.11 0.00 1.54 0.00 0.00 36.73 38.95 3kth h TYR 77 CO -0.14 -0.06 0.31 -0.44 -1.64 0.00 0.00 178.16 176.20 3kth h ASP 78 N -0.03 0.25 -0.87 -2.11 3.45 -0.58 0.22 116.42 116.75 3kth h ASP 78 Ca 0.02 0.14 0.03 0.00 0.43 0.00 0.00 57.03 57.64 3kth h ASP 78 Cb 0.07 0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 38.92 3kth h ASP 78 CO -0.10 0.04 0.58 0.74 -1.57 0.00 0.00 179.24 178.92 3kth h THR 79 N 0.40 1.16 -0.34 0.35 2.02 -0.07 0.35 112.91 116.78 3kth h THR 79 Ca 0.47 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 3kth h THR 79 Cb 0.81 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3kth h THR 79 CO -0.48 0.20 0.15 0.24 0.37 0.00 0.00 175.52 176.00 3kth h MET 80 N 1.11 0.49 -0.01 6.66 2.86 0.17 -2.20 114.93 124.01 3kth h MET 80 Ca 0.34 -0.08 -0.14 0.00 -2.06 0.00 0.00 59.70 57.76 3kth h MET 80 Cb -0.01 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3kth h MET 80 CO -0.10 0.47 -0.64 1.96 1.06 0.00 0.00 176.91 179.66 3kth h GLN 81 N 0.40 0.04 0.17 1.72 1.08 -0.89 -3.32 115.11 114.30 3kth h GLN 81 Ca 0.11 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 3kth h GLN 81 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3kth h GLN 81 CO -0.01 0.66 -0.08 0.35 -0.95 0.00 0.00 178.83 178.80 3kth h PHE 82 N 0.03 -0.21 -4.18 2.96 3.57 -0.03 -3.45 116.94 115.62 3kth h PHE 82 Ca -0.01 -0.01 -0.53 0.00 3.53 0.00 0.00 57.97 60.96 3kth h PHE 82 Cb 1.14 0.07 0.15 0.00 2.79 0.00 0.00 35.95 40.11 3kth h PHE 82 CO 0.00 0.10 0.39 0.96 -2.23 0.00 0.00 178.31 177.53 3kth s ILE 83 N -4.88 2.36 0.03 1.41 -4.36 -0.85 -4.97 121.20 109.93 3kth s ILE 83 Ca -0.15 0.17 -0.25 0.00 -0.26 0.00 0.00 60.65 60.17 3kth s ILE 83 Cb 0.03 -2.73 -0.18 0.00 1.25 0.00 0.00 42.46 40.83 3kth s ILE 83 CO 0.61 -0.10 1.47 0.50 0.24 0.00 0.00 174.94 177.66 3kth h LYS 84 N -0.32 0.00 -6.76 0.37 1.63 -1.88 -3.45 116.57 106.17 3kth h LYS 84 Ca -0.47 -0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 58.76 3kth h LYS 84 Cb 1.29 -0.00 0.17 0.00 -0.60 0.00 0.00 32.23 33.09 3kth h LYS 84 CO 0.50 0.28 -0.06 -2.30 -3.45 0.00 0.00 179.45 174.42 3kth n PRO 85 N -4.95 0.66 -3.20 1.90 -0.02 -1.20 -4.95 135.00 123.23 3kth n PRO 85 Ca -0.08 0.27 -0.39 0.00 -2.02 0.00 0.00 63.50 61.28 3kth n PRO 85 Cb 0.16 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 3kth n PRO 85 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3kth s LYS 86 N -2.72 4.23 -0.32 -0.52 1.02 -1.26 -4.94 119.74 115.23 3kth s LYS 86 Ca 0.73 0.51 -0.17 0.00 0.02 0.00 0.00 55.97 57.06 3kth s LYS 86 Cb -0.40 -3.54 -0.01 0.00 -0.52 0.00 0.00 37.83 33.35 3kth s LYS 86 CO 0.50 -0.12 0.48 0.08 -0.92 0.00 0.00 175.35 175.37 3kth s VAL 87 N 1.54 5.06 -0.04 3.17 1.01 -1.26 -1.83 120.40 128.04 3kth s VAL 87 Ca 0.27 0.46 -0.16 0.00 0.00 0.00 0.00 61.98 62.55 3kth s VAL 87 Cb -0.16 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3kth s VAL 87 CO 0.10 -0.09 0.44 -0.55 0.00 0.00 0.00 175.10 175.00 3kth s SER 88 N 1.70 6.77 -0.01 3.32 0.15 0.19 -0.61 113.70 125.20 3kth s SER 88 Ca 0.18 0.91 0.05 0.00 0.70 0.00 0.00 55.95 57.80 3kth s SER 88 Cb -0.16 -2.27 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 3kth s SER 88 CO 0.12 0.21 -0.15 0.42 1.20 0.00 0.00 173.24 175.03 3kth s THR 89 N -0.45 3.00 -0.20 6.45 -4.23 -1.02 0.20 115.64 119.38 3kth s THR 89 Ca 0.24 -0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 59.83 3kth s THR 89 Cb -0.16 -2.22 0.06 0.00 1.34 0.00 0.00 72.50 71.52 3kth s THR 89 CO 0.12 0.47 0.00 -0.63 -0.54 0.00 0.00 174.62 174.05 3kth s ILE 90 N -0.83 0.86 -0.41 2.99 1.09 -1.03 0.07 121.20 123.93 3kth s ILE 90 Ca 0.13 -0.73 -0.29 0.00 -1.10 0.00 0.00 60.65 58.67 3kth s ILE 90 Cb -0.11 -1.25 0.02 0.00 -1.06 0.00 0.00 42.46 40.06 3kth s ILE 90 CO 0.03 -0.13 1.28 0.00 -0.10 0.00 0.00 174.94 176.02 3kth s ILE 92 N 4.83 2.91 0.00 0.00 2.07 -0.01 -2.86 121.20 128.14 3kth s ILE 92 Ca 0.55 -1.03 0.00 0.00 -1.41 0.00 0.00 60.65 58.76 3kth s ILE 92 Cb -0.12 -2.49 0.00 0.00 0.13 0.00 0.00 42.46 39.98 3kth s ILE 92 CO 0.30 0.18 0.00 0.61 -1.91 0.00 0.00 174.94 174.12 3kth n GLY 93 N 4.67 2.17 3.51 1.50 0.00 -1.26 -4.09 105.19 111.69 3kth n GLY 93 Ca -0.16 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 3kth n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kth s MET 94 N 0.00 0.69 -0.19 1.61 -2.45 -1.26 -2.17 119.30 115.53 3kth s MET 94 Ca 0.00 0.88 -0.04 0.00 -1.25 0.00 0.00 55.69 55.29 3kth s MET 94 Cb 0.00 0.30 0.06 0.00 1.25 0.00 0.00 34.83 36.44 3kth s MET 94 CO 0.00 -0.10 0.07 0.00 1.05 0.00 0.00 175.02 176.04 3kth s ALA 95 N 0.55 0.75 0.27 4.11 0.00 -0.58 -0.07 121.76 126.78 3kth s ALA 95 Ca -0.02 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.43 3kth s ALA 95 Cb -0.05 -1.14 -0.06 0.00 0.00 0.00 0.00 23.12 21.88 3kth s ALA 95 CO -0.02 -1.22 -0.09 0.00 0.00 0.00 0.00 175.76 174.43 3kth s ALA 96 N 1.98 2.36 0.00 0.00 0.00 -0.66 -1.60 121.76 123.85 3kth s ALA 96 Ca 0.01 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.11 3kth s ALA 96 Cb -0.17 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3kth s ALA 96 CO -0.11 -0.00 0.00 0.45 0.00 0.00 0.00 175.76 176.10 3kth n SER 97 N -0.56 0.00 -0.33 0.00 2.88 -0.85 0.53 113.62 115.28 3kth n SER 97 Ca -0.06 0.00 0.26 0.00 -1.33 0.00 0.00 58.87 57.75 3kth n SER 97 Cb 0.62 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.65 3kth n SER 97 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3kth h MET 98 N 0.00 0.28 -0.04 -1.46 2.07 -1.89 0.79 114.93 114.68 3kth h MET 98 Ca 0.00 -0.02 0.04 0.00 -2.07 0.00 0.00 59.70 57.65 3kth h MET 98 Cb 0.00 -0.06 -0.05 0.00 -1.87 0.00 0.00 31.60 29.62 3kth h MET 98 CO 0.00 0.18 -0.25 0.78 1.07 0.00 0.00 176.91 178.69 3kth h GLY 99 N 0.29 -0.35 0.55 8.32 0.00 -0.20 0.51 103.07 112.19 3kth h GLY 99 Ca 0.61 0.30 0.06 0.00 0.00 0.00 0.00 47.33 48.30 3kth h GLY 99 CO -0.25 -0.21 0.10 0.00 0.00 0.00 0.00 176.54 176.18 3kth h ALA 100 N 0.49 0.45 -0.19 3.60 0.00 -0.68 -1.41 119.26 121.53 3kth h ALA 100 Ca 0.07 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3kth h ALA 100 Cb 0.47 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 3kth h ALA 100 CO -0.25 -0.30 -0.42 0.35 0.00 0.00 0.00 179.25 178.64 3kth h PHE 101 N 0.24 -1.19 -0.94 0.00 3.57 -0.47 -0.69 116.94 117.46 3kth h PHE 101 Ca 0.19 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.85 3kth h PHE 101 Cb 0.22 0.55 -0.07 0.00 2.79 0.00 0.00 35.95 39.43 3kth h PHE 101 CO -0.18 -0.46 0.60 -0.07 -2.23 0.00 0.00 178.31 175.97 3kth h LEU 102 N -0.45 0.86 -0.77 0.59 3.38 0.60 -0.47 115.31 119.05 3kth h LEU 102 Ca 0.09 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3kth h LEU 102 Cb 0.61 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3kth h LEU 102 CO -0.43 0.49 0.49 0.25 0.09 0.00 0.00 178.44 179.33 3kth h LEU 103 N 0.94 0.80 -1.22 1.67 5.85 -0.10 -1.33 115.31 121.92 3kth h LEU 103 Ca 0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.16 3kth h LEU 103 Cb 0.43 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3kth h LEU 103 CO -0.21 0.55 0.00 0.00 -0.34 0.00 0.00 178.44 178.44 3kth h ALA 104 N 1.33 1.00 0.00 1.25 0.00 -0.11 -2.88 119.26 119.86 3kth h ALA 104 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kth h ALA 104 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kth h ALA 104 CO -0.12 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.13 3kth n ALA 105 N -2.05 2.21 -1.49 0.00 0.00 -0.51 -4.87 120.51 113.80 3kth n ALA 105 Ca 0.01 -0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 3kth n ALA 105 Cb 0.32 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.40 3kth n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kth n GLY 106 N 1.17 0.05 3.59 0.00 0.00 -1.09 -4.78 105.19 104.13 3kth n GLY 106 Ca 0.05 -0.26 -0.58 0.00 0.00 0.00 0.00 46.02 45.23 3kth n GLY 106 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kth n GLU 107 N -2.02 0.84 -1.63 1.61 4.07 0.22 -4.76 120.64 118.96 3kth n GLU 107 Ca 0.14 0.29 -0.54 0.00 -0.06 0.00 0.00 57.16 56.99 3kth n GLU 107 Cb 0.49 -2.03 -0.06 0.00 -0.06 0.00 0.00 31.44 29.78 3kth n GLU 107 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3kth n LYS 108 N 6.16 1.12 0.00 5.31 3.00 -1.26 -0.27 118.16 132.21 3kth n LYS 108 Ca 0.34 0.40 0.00 0.00 -0.00 0.00 0.00 58.31 59.06 3kth n LYS 108 Cb 0.10 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 33.08 3kth n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kth n GLY 109 N 3.09 2.70 1.63 3.14 0.00 -1.26 -4.90 105.19 109.59 3kth n GLY 109 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 3kth n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kth n LYS 110 N -1.45 1.86 -3.50 1.61 5.02 0.62 -4.91 118.16 117.42 3kth n LYS 110 Ca 0.00 -3.32 -0.42 0.00 -2.02 0.00 0.00 58.31 52.55 3kth n LYS 110 Cb 0.00 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.47 3kth n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kth s ARG 111 N -2.77 2.72 0.51 1.97 0.52 -1.25 -2.44 118.95 118.21 3kth s ARG 111 Ca 0.39 -1.93 0.08 0.00 -0.52 0.00 0.00 55.73 53.74 3kth s ARG 111 Cb 0.38 -4.03 0.04 0.00 0.52 0.00 0.00 34.95 31.86 3kth s ARG 111 CO -0.05 -1.23 0.60 0.71 0.02 0.00 0.00 175.30 175.34 3kth s TYR 112 N 1.08 1.96 -0.22 -0.53 1.51 0.11 0.30 117.35 121.56 3kth s TYR 112 Ca 0.08 -0.64 -0.26 0.00 -1.01 0.00 0.00 57.07 55.23 3kth s TYR 112 Cb -0.24 -2.18 0.08 0.00 -0.11 0.00 0.00 41.96 39.51 3kth s TYR 112 CO -0.02 -0.69 0.75 0.00 -1.11 0.00 0.00 175.55 174.49 3kth s ALA 113 N -2.59 -1.80 0.61 3.71 0.00 -1.11 -1.43 121.76 119.15 3kth s ALA 113 Ca 0.52 1.85 -0.10 0.00 0.00 0.00 0.00 51.96 54.23 3kth s ALA 113 Cb -0.05 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 3kth s ALA 113 CO 0.32 -0.33 1.00 -0.51 0.00 0.00 0.00 175.76 176.24 3kth s LEU 114 N -0.03 3.24 0.14 0.00 1.43 -1.13 -1.76 118.68 120.56 3kth s LEU 114 Ca -0.02 1.27 -0.22 0.00 -1.03 0.00 0.00 54.13 54.13 3kth s LEU 114 Cb -0.04 -4.26 0.01 0.00 0.03 0.00 0.00 46.19 41.93 3kth s LEU 114 CO 0.02 -0.91 1.23 -2.65 0.23 0.00 0.00 176.35 174.27 3kth n PRO 115 N -2.71 -0.31 -0.69 1.29 -0.02 -1.26 -1.01 135.00 130.30 3kth n PRO 115 Ca 0.05 1.21 0.06 0.00 -2.02 0.00 0.00 63.50 62.80 3kth n PRO 115 Cb 0.55 -1.78 0.32 0.00 -0.02 0.00 0.00 33.50 32.58 3kth n PRO 115 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kth n ASN 116 N -5.04 4.68 -4.69 2.55 4.13 -1.26 -4.52 115.26 111.12 3kth n ASN 116 Ca 0.03 -2.67 -0.31 0.00 1.68 0.00 0.00 54.58 53.32 3kth n ASN 116 Cb 0.24 -0.62 0.15 0.00 -1.54 0.00 0.00 39.78 38.00 3kth n ASN 116 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3kth s SER 117 N -0.68 3.22 0.01 6.41 0.01 -0.18 -4.79 113.70 117.70 3kth s SER 117 Ca 0.44 2.07 0.01 0.00 1.31 0.00 0.00 55.95 59.78 3kth s SER 117 Cb 0.32 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 3kth s SER 117 CO 0.15 -2.89 -0.04 -0.70 0.41 0.00 0.00 173.24 170.17 3kth s GLU 118 N -4.71 0.28 -0.03 12.44 2.12 -0.92 -3.33 118.70 124.56 3kth s GLU 118 Ca 0.65 -0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.75 3kth s GLU 118 Cb -0.21 -0.20 0.01 0.00 0.26 0.00 0.00 34.13 33.99 3kth s GLU 118 CO 0.58 0.05 -0.05 0.08 -0.54 0.00 0.00 175.26 175.37 3kth s VAL 119 N -0.41 0.52 -0.02 3.70 1.01 -0.20 -1.53 120.40 123.46 3kth s VAL 119 Ca -0.02 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3kth s VAL 119 Cb -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.84 3kth s VAL 119 CO -0.00 0.19 -0.10 -0.32 0.00 0.00 0.00 175.10 174.86 3kth s MET 120 N 0.44 1.05 0.14 2.72 0.00 -0.62 0.11 119.30 123.14 3kth s MET 120 Ca -0.06 -0.36 0.09 0.00 0.00 0.00 0.00 55.69 55.36 3kth s MET 120 Cb -0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 34.83 33.72 3kth s MET 120 CO 0.00 0.15 -0.20 0.96 0.00 0.00 0.00 175.02 175.93 3kth s ILE 121 N 0.09 1.85 0.04 10.11 -4.36 -0.85 -2.01 121.20 126.07 3kth s ILE 121 Ca -0.02 -1.80 -0.28 0.00 -0.26 0.00 0.00 60.65 58.29 3kth s ILE 121 Cb -0.08 -1.78 0.09 0.00 1.25 0.00 0.00 42.46 41.94 3kth s ILE 121 CO 0.00 -0.20 1.06 -1.38 0.24 0.00 0.00 174.94 174.67 3kth s HIS 122 N -1.68 -0.14 0.65 1.37 -3.43 -1.26 -1.94 115.29 108.86 3kth s HIS 122 Ca 0.13 -0.05 -0.13 0.00 -0.80 0.00 0.00 55.06 54.21 3kth s HIS 122 Cb -0.08 0.58 -0.01 0.00 -1.43 0.00 0.00 32.58 31.65 3kth s HIS 122 CO 0.06 -0.56 1.06 1.14 -2.00 0.00 0.00 174.74 174.43 3kth s GLN 123 N -2.93 3.12 0.63 -0.38 -2.07 -0.16 -4.93 119.66 112.93 3kth s GLN 123 Ca 0.11 1.04 -0.18 0.00 -1.82 0.00 0.00 55.36 54.51 3kth s GLN 123 Cb 0.00 -2.01 -0.03 0.00 -1.09 0.00 0.00 33.01 29.88 3kth s GLN 123 CO -0.02 -0.96 1.07 -2.30 -1.32 0.00 0.00 175.29 171.75 3kth n PRO 124 N -2.69 0.93 -4.70 9.60 -0.02 -1.26 -5.05 135.00 131.81 3kth n PRO 124 Ca 0.08 0.37 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 3kth n PRO 124 Cb 0.53 -2.29 -0.13 0.00 -0.02 0.00 0.00 33.50 31.59 3kth n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kth s LEU 125 N -2.84 2.43 0.00 2.45 1.43 -1.26 -5.10 118.68 115.78 3kth s LEU 125 Ca 0.79 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 3kth s LEU 125 Cb -0.40 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3kth s LEU 125 CO 0.44 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.88 3kth n GLY 126 N 1.52 1.90 3.60 -3.19 0.00 -1.26 -5.03 105.19 102.73 3kth n GLY 126 Ca -0.17 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 3kth n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kth s GLY 127 N -0.77 -0.34 0.29 -0.02 0.00 -1.26 -5.17 107.32 100.04 3kth s GLY 127 Ca 0.00 2.11 0.11 0.00 0.00 0.00 0.00 44.72 46.94 3kth s GLY 127 CO 0.00 1.44 -0.12 0.00 0.00 0.00 0.00 173.10 174.42 3kth s ALA 128 N -0.36 2.91 -0.30 3.20 0.00 -1.26 -5.05 121.76 120.90 3kth s ALA 128 Ca -0.01 -1.84 -0.13 0.00 0.00 0.00 0.00 51.96 49.97 3kth s ALA 128 Cb -0.03 -0.39 0.14 0.00 0.00 0.00 0.00 23.12 22.85 3kth s ALA 128 CO 0.00 0.24 0.82 -1.14 0.00 0.00 0.00 175.76 175.69 3kth s GLN 129 N -3.58 0.45 0.00 0.00 2.00 -1.26 -5.05 119.66 112.21 3kth s GLN 129 Ca 0.31 1.09 0.00 0.00 -2.00 0.00 0.00 55.36 54.76 3kth s GLN 129 Cb -0.04 0.62 0.00 0.00 0.80 0.00 0.00 33.01 34.38 3kth s GLN 129 CO 0.17 -0.15 0.00 0.41 -0.50 0.00 0.00 175.29 175.22 3kth n GLY 130 N 5.11 0.45 3.81 2.59 0.00 -1.26 -4.83 105.19 111.06 3kth n GLY 130 Ca -0.11 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 3kth n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kth s GLN 131 N -1.45 3.39 0.22 1.61 -0.21 -1.26 -4.80 119.66 117.15 3kth s GLN 131 Ca 0.00 1.18 -0.17 0.00 0.02 0.00 0.00 55.36 56.39 3kth s GLN 131 Cb 0.00 -2.04 0.22 0.00 1.00 0.00 0.00 33.01 32.19 3kth s GLN 131 CO 0.00 -0.75 1.58 0.00 -2.12 0.00 0.00 175.29 174.00 3kth h ALA 132 N 0.50 0.17 -0.09 6.09 0.00 -1.99 0.10 119.26 124.04 3kth h ALA 132 Ca -0.47 0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3kth h ALA 132 Cb 1.22 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 3kth h ALA 132 CO 0.58 -0.59 -0.35 1.15 0.00 0.00 0.00 179.25 180.04 3kth h THR 133 N -0.07 0.00 -0.94 0.00 2.02 -1.99 -0.76 112.91 111.16 3kth h THR 133 Ca 0.31 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.77 3kth h THR 133 Cb 0.58 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.84 3kth h THR 133 CO -0.82 0.00 0.38 -0.33 0.37 0.00 0.00 175.52 175.12 3kth h GLU 134 N -0.36 0.25 -0.45 6.66 5.08 -1.24 0.30 114.58 124.81 3kth h GLU 134 Ca 0.02 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3kth h GLU 134 Cb 0.43 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3kth h GLU 134 CO -0.28 0.16 -0.17 0.82 -1.00 0.00 0.00 179.01 178.54 3kth h ILE 135 N 0.25 1.27 -0.47 3.13 2.04 -0.27 -2.23 117.51 121.24 3kth h ILE 135 Ca 0.64 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 3kth h ILE 135 Cb 1.38 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 3kth h ILE 135 CO -0.64 0.44 0.14 -0.08 0.00 0.00 0.00 178.15 178.01 3kth h GLU 136 N 0.77 0.73 -0.79 2.37 4.81 0.93 0.28 114.58 123.69 3kth h GLU 136 Ca 0.11 -0.16 0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3kth h GLU 136 Cb 0.71 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.91 3kth h GLU 136 CO 0.05 0.70 0.44 0.82 -0.73 0.00 0.00 179.01 180.30 3kth h ILE 137 N 0.62 0.90 -0.14 2.32 1.08 -0.74 0.20 117.51 121.74 3kth h ILE 137 Ca 0.15 -0.25 -0.18 0.00 -0.39 0.00 0.00 64.86 64.19 3kth h ILE 137 Cb 0.29 0.09 0.01 0.00 -3.07 0.00 0.00 36.82 34.13 3kth h ILE 137 CO -0.00 0.14 -0.60 0.00 -0.69 0.00 0.00 178.15 176.99 3kth h ALA 138 N 1.44 0.26 -0.52 1.87 0.00 -0.87 -2.32 119.26 119.12 3kth h ALA 138 Ca 0.38 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3kth h ALA 138 Cb 0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kth h ALA 138 CO -0.25 0.52 0.25 0.00 0.00 0.00 0.00 179.25 179.77 3kth h ALA 139 N 0.52 0.68 -0.81 0.00 0.00 0.09 -0.81 119.26 118.93 3kth h ALA 139 Ca -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3kth h ALA 139 Cb 1.24 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3kth h ALA 139 CO 0.13 0.24 0.47 0.87 0.00 0.00 0.00 179.25 180.96 3kth h LYS 140 N 0.70 1.11 0.82 0.00 1.57 -0.63 -2.12 116.57 118.01 3kth h LYS 140 Ca 0.18 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3kth h LYS 140 Cb 0.12 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.21 3kth h LYS 140 CO -0.02 0.79 -0.39 -0.09 -0.57 0.00 0.00 179.45 179.17 3kth h ARG 141 N 1.11 -1.06 -0.78 3.15 2.43 -0.82 -2.59 114.38 115.82 3kth h ARG 141 Ca 0.29 0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.67 3kth h ARG 141 Cb -0.02 0.24 -0.09 0.00 -0.42 0.00 0.00 29.97 29.68 3kth h ARG 141 CO -0.05 -0.70 0.36 0.97 -1.51 0.00 0.00 179.97 179.04 3kth h ILE 142 N -1.26 0.71 -0.73 1.20 2.10 -1.14 -0.30 117.51 118.10 3kth h ILE 142 Ca -0.11 -0.18 0.08 0.00 1.08 0.00 0.00 64.86 65.72 3kth h ILE 142 Cb 0.85 0.13 -0.06 0.00 -1.09 0.00 0.00 36.82 36.64 3kth h ILE 142 CO 0.18 0.10 0.40 -0.07 -1.08 0.00 0.00 178.15 177.68 3kth h LEU 143 N 0.53 0.58 -0.41 2.19 3.38 -1.34 0.32 115.31 120.56 3kth h LEU 143 Ca 0.42 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.38 3kth h LEU 143 Cb 0.60 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3kth h LEU 143 CO -0.37 0.35 0.04 -0.07 0.09 0.00 0.00 178.44 178.49 3kth h LEU 144 N 0.71 0.68 -0.35 1.67 3.38 -0.75 -0.67 115.31 119.97 3kth h LEU 144 Ca 0.34 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3kth h LEU 144 Cb 0.27 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3kth h LEU 144 CO -0.22 0.79 0.07 -0.07 0.09 0.00 0.00 178.44 179.11 3kth h LEU 145 N 0.55 0.02 0.07 1.67 3.38 0.07 0.62 115.31 121.69 3kth h LEU 145 Ca 0.12 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3kth h LEU 145 Cb 0.42 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3kth h LEU 145 CO 0.01 0.05 -0.25 -0.09 0.09 0.00 0.00 178.44 178.25 3kth h ARG 146 N 0.20 -0.42 -0.53 1.13 2.43 -0.10 0.19 114.38 117.28 3kth h ARG 146 Ca 0.17 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.43 3kth h ARG 146 Cb 0.18 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 3kth h ARG 146 CO -0.21 -0.28 0.21 0.22 -1.51 0.00 0.00 179.97 178.40 3kth h ASP 147 N -0.43 0.23 0.10 -3.80 3.58 -0.43 0.10 116.42 115.77 3kth h ASP 147 Ca 0.04 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.57 3kth h ASP 147 Cb 0.48 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 3kth h ASP 147 CO -0.18 0.16 -0.16 0.50 -2.88 0.00 0.00 179.24 176.67 3kth h LYS 148 N 0.40 -0.31 -0.04 0.28 3.64 0.95 -2.24 116.57 119.25 3kth h LYS 148 Ca 0.26 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3kth h LYS 148 Cb 0.27 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3kth h LYS 148 CO -0.24 -0.21 0.02 -0.07 -2.27 0.00 0.00 179.45 176.68 3kth h LEU 149 N -0.32 0.04 -0.80 5.20 3.38 -0.56 -2.61 115.31 119.65 3kth h LEU 149 Ca 0.02 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.14 3kth h LEU 149 Cb 0.34 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.97 3kth h LEU 149 CO -0.09 0.05 0.29 0.78 0.09 0.00 0.00 178.44 179.56 3kth h ASN 150 N 0.03 0.20 -0.30 -0.43 2.35 -0.83 0.56 115.58 117.16 3kth h ASN 150 Ca 0.01 0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3kth h ASN 150 Cb 0.02 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3kth h ASN 150 CO -0.00 0.03 0.18 0.11 -1.65 0.00 0.00 177.43 176.09 3kth h LYS 151 N 0.37 0.36 -0.58 0.81 1.57 -1.11 0.35 116.57 118.34 3kth h LYS 151 Ca 0.46 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.27 3kth h LYS 151 Cb 0.79 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 3kth h LYS 151 CO -0.48 0.24 0.30 0.28 -0.57 0.00 0.00 179.45 179.22 3kth h VAL 152 N 0.37 0.94 -0.72 0.50 2.07 -0.61 -1.80 116.25 117.00 3kth h VAL 152 Ca 0.12 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3kth h VAL 152 Cb -0.01 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 3kth h VAL 152 CO -0.05 0.10 0.48 -0.07 0.02 0.00 0.00 177.57 178.05 3kth h LEU 153 N 0.56 0.83 -0.38 2.57 3.38 -0.36 -1.74 115.31 120.18 3kth h LEU 153 Ca 0.26 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.29 3kth h LEU 153 Cb 0.18 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 3kth h LEU 153 CO -0.18 0.60 -0.09 0.00 0.09 0.00 0.00 178.44 178.85 3kth h ALA 154 N 1.27 0.25 0.20 1.53 0.00 -0.11 0.26 119.26 122.66 3kth h ALA 154 Ca 0.27 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3kth h ALA 154 Cb -0.11 0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kth h ALA 154 CO -0.06 -0.45 -0.09 0.93 0.00 0.00 0.00 179.25 179.57 3kth h GLU 155 N 0.00 -0.25 -0.95 0.00 5.08 -1.00 0.78 114.58 118.24 3kth h GLU 155 Ca 0.18 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3kth h GLU 155 Cb 0.28 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3kth h GLU 155 CO -0.39 -0.16 0.58 0.00 -1.00 0.00 0.00 179.01 178.04 3kth h ARG 156 N -0.28 1.28 0.07 2.33 2.47 -0.81 -3.28 114.38 116.16 3kth h ARG 156 Ca -0.03 -0.11 -0.25 0.00 -1.26 0.00 0.00 59.98 58.33 3kth h ARG 156 Cb 0.21 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 3kth h ARG 156 CO 0.04 0.89 -1.31 1.79 0.56 0.00 0.00 179.97 181.95 3kth h THR 157 N 1.30 1.02 0.00 2.04 1.35 -0.36 -3.46 112.91 114.80 3kth h THR 157 Ca 0.34 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 3kth h THR 157 Cb -0.07 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3kth h THR 157 CO -0.06 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 3kth n GLY 158 N 1.67 1.59 3.76 5.82 0.00 0.27 -4.59 105.19 113.71 3kth n GLY 158 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 3kth n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kth s GLN 159 N -0.37 3.31 0.48 1.61 -1.52 -1.22 -4.98 119.66 116.98 3kth s GLN 159 Ca 0.00 1.77 -0.20 0.00 -1.95 0.00 0.00 55.36 54.98 3kth s GLN 159 Cb 0.00 -2.10 -0.08 0.00 -0.22 0.00 0.00 33.01 30.61 3kth s GLN 159 CO 0.00 -0.92 1.04 -1.25 -0.25 0.00 0.00 175.29 173.91 3kth s PRO 160 N -3.13 3.80 0.23 2.91 0.04 -1.26 -4.52 135.00 133.08 3kth s PRO 160 Ca 0.72 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 3kth s PRO 160 Cb -0.28 -2.10 0.31 0.00 0.04 0.00 0.00 34.50 32.47 3kth s PRO 160 CO 0.32 -0.43 1.61 1.25 0.04 0.00 0.00 177.00 179.80 3kth h LEU 161 N 1.57 -0.61 -0.90 -3.56 5.85 -1.93 -0.36 115.31 115.36 3kth h LEU 161 Ca -0.49 0.21 0.24 0.00 0.84 0.00 0.00 57.88 58.68 3kth h LEU 161 Cb 1.22 0.43 -0.16 0.00 0.37 0.00 0.00 40.66 42.52 3kth h LEU 161 CO 0.59 -0.23 0.09 -0.33 -0.34 0.00 0.00 178.44 178.23 3kth h GLU 162 N 0.02 0.09 0.31 1.25 4.39 -1.99 0.08 114.58 118.72 3kth h GLU 162 Ca 0.36 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.04 3kth h GLU 162 Cb 0.56 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3kth h GLU 162 CO -0.73 0.06 -0.15 0.28 -1.16 0.00 0.00 179.01 177.31 3kth h VAL 163 N 0.09 0.71 -0.92 3.13 2.07 -1.43 -2.39 116.25 117.50 3kth h VAL 163 Ca 0.55 -0.47 0.16 0.00 0.82 0.00 0.00 66.70 67.76 3kth h VAL 163 Cb 1.10 0.95 -0.10 0.00 -1.52 0.00 0.00 31.29 31.72 3kth h VAL 163 CO -0.78 0.09 0.51 0.40 0.02 0.00 0.00 177.57 177.82 3kth h ILE 164 N -0.68 0.73 0.84 4.57 1.08 -0.99 0.19 117.51 123.25 3kth h ILE 164 Ca -0.04 -0.24 -0.04 0.00 -0.39 0.00 0.00 64.86 64.15 3kth h ILE 164 Cb 0.47 -0.03 0.01 0.00 -3.07 0.00 0.00 36.82 34.20 3kth h ILE 164 CO 0.07 0.13 -0.40 -0.33 -0.69 0.00 0.00 178.15 176.92 3kth h GLU 165 N 0.70 -1.09 -0.67 2.37 5.08 -0.95 -2.15 114.58 117.87 3kth h GLU 165 Ca 0.51 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.97 3kth h GLU 165 Cb 0.74 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 3kth h GLU 165 CO -0.37 -0.73 0.44 -0.09 -1.00 0.00 0.00 179.01 177.27 3kth h ARG 166 N -1.14 0.82 0.00 2.33 2.43 -1.05 -2.78 114.38 114.99 3kth h ARG 166 Ca -0.12 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 3kth h ARG 166 Cb 0.87 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3kth h ARG 166 CO 0.19 0.55 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.65 3kth h ASP 167 N 0.85 0.00 -0.37 -3.80 5.19 -0.59 -3.15 116.42 114.55 3kth h ASP 167 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 3kth h ASP 167 Cb -0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.50 3kth h ASP 167 CO -0.07 0.10 0.00 0.35 -3.12 0.00 0.00 179.24 176.51 3kth n THR 168 N -3.22 2.22 -0.16 0.35 -2.24 -0.82 -4.55 114.28 105.87 3kth n THR 168 Ca 0.01 -1.63 -0.01 0.00 -2.27 0.00 0.00 64.05 60.14 3kth n THR 168 Cb 0.39 -0.15 0.22 0.00 -2.10 0.00 0.00 70.33 68.69 3kth n THR 168 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3kth h ASP 169 N 2.50 0.80 -5.23 3.42 1.82 -1.51 -0.40 116.42 117.82 3kth h ASP 169 Ca 0.00 -0.09 -0.12 0.00 -0.39 0.00 0.00 57.03 56.43 3kth h ASP 169 Cb 1.49 -0.21 -0.15 0.00 0.68 0.00 0.00 39.33 41.14 3kth h ASP 169 CO 0.26 0.70 -0.65 -0.13 -1.61 0.00 0.00 179.24 177.80 3kth s ARG 170 N -5.47 0.62 -0.26 0.28 0.52 -1.26 -4.70 118.95 108.68 3kth s ARG 170 Ca -0.10 -1.18 -0.43 0.00 -0.52 0.00 0.00 55.73 53.50 3kth s ARG 170 Cb 0.16 0.22 -0.20 0.00 0.52 0.00 0.00 34.95 35.66 3kth s ARG 170 CO 0.79 -0.12 1.32 -0.25 0.02 0.00 0.00 175.30 177.06 3kth n ASP 171 N 0.13 0.61 -4.04 0.23 8.00 -1.26 -4.81 116.55 115.42 3kth n ASP 171 Ca -0.14 1.15 -0.32 0.00 0.71 0.00 0.00 54.79 56.19 3kth n ASP 171 Cb 0.61 -0.88 -0.15 0.00 -0.02 0.00 0.00 41.12 40.68 3kth n ASP 171 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kth s ASN 172 N 1.53 4.44 -0.13 -2.24 3.04 -0.82 -5.02 114.94 115.74 3kth s ASN 172 Ca 0.96 -1.54 -0.14 0.00 0.04 0.00 0.00 52.86 52.18 3kth s ASN 172 Cb -1.36 -1.51 -0.05 0.00 -1.54 0.00 0.00 41.25 36.79 3kth s ASN 172 CO 0.69 -0.24 0.34 -0.36 -3.04 0.00 0.00 177.10 174.48 3kth s PHE 173 N 1.10 3.51 0.03 0.43 0.08 -1.26 -2.01 117.98 119.86 3kth s PHE 173 Ca -0.04 0.70 0.04 0.00 0.12 0.00 0.00 56.93 57.75 3kth s PHE 173 Cb -0.20 -2.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.87 3kth s PHE 173 CO -0.06 0.29 -0.13 0.15 -0.10 0.00 0.00 175.22 175.37 3kth s LYS 174 N 0.26 0.90 0.82 0.44 1.02 0.12 -5.00 119.74 118.30 3kth s LYS 174 Ca 0.19 -0.70 -0.11 0.00 0.02 0.00 0.00 55.97 55.37 3kth s LYS 174 Cb -0.14 -0.89 0.12 0.00 -0.52 0.00 0.00 37.83 36.40 3kth s LYS 174 CO 0.06 0.22 1.16 -1.54 -0.92 0.00 0.00 175.35 174.34 3kth s SER 175 N -1.02 4.12 0.14 2.83 1.04 -1.26 -1.04 113.70 118.51 3kth s SER 175 Ca 0.01 0.41 -0.19 0.00 0.48 0.00 0.00 55.95 56.67 3kth s SER 175 Cb -0.07 -0.79 0.02 0.00 0.10 0.00 0.00 66.02 65.28 3kth s SER 175 CO 0.01 -2.09 1.70 0.00 0.98 0.00 0.00 173.24 173.84 3kth h ALA 176 N -1.07 0.21 -0.03 5.32 0.00 -1.78 0.33 119.26 122.23 3kth h ALA 176 Ca -0.44 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3kth h ALA 176 Cb 1.29 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 3kth h ALA 176 CO 0.53 -0.45 0.01 0.93 0.00 0.00 0.00 179.25 180.27 3kth h GLU 177 N 0.03 0.04 -0.66 0.00 3.07 -1.92 0.26 114.58 115.39 3kth h GLU 177 Ca 0.13 -0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.11 3kth h GLU 177 Cb 0.19 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 3kth h GLU 177 CO -0.26 0.12 0.44 0.93 -1.40 0.00 0.00 179.01 178.84 3kth h GLU 178 N -0.06 0.39 -0.22 2.33 5.08 -1.81 0.23 114.58 120.53 3kth h GLU 178 Ca 0.01 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 3kth h GLU 178 Cb 0.09 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kth h GLU 178 CO -0.00 0.26 -0.66 0.00 -1.00 0.00 0.00 179.01 177.60 3kth h ALA 179 N 1.68 0.41 -0.07 3.43 0.00 0.61 -1.68 119.26 123.63 3kth h ALA 179 Ca 0.31 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3kth h ALA 179 Cb 0.68 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3kth h ALA 179 CO -0.09 0.69 0.04 1.25 0.00 0.00 0.00 179.25 181.13 3kth h LEU 180 N 0.59 0.10 -0.78 0.00 5.85 0.19 -2.15 115.31 119.11 3kth h LEU 180 Ca -0.02 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.65 3kth h LEU 180 Cb 1.28 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 3kth h LEU 180 CO 0.14 0.19 0.45 -0.33 -0.34 0.00 0.00 178.44 178.55 3kth h GLU 181 N -0.01 0.77 0.00 1.25 5.08 -0.61 -1.83 114.58 119.24 3kth h GLU 181 Ca 0.03 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3kth h GLU 181 Cb 0.12 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3kth h GLU 181 CO -0.00 0.51 -0.22 -0.92 -1.00 0.00 0.00 179.01 177.38 3kth h TYR 182 N 0.80 0.00 0.00 4.33 3.20 -1.13 -3.46 116.97 120.70 3kth h TYR 182 Ca 0.36 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.23 3kth h TYR 182 Cb 0.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3kth h TYR 182 CO -0.06 0.22 0.00 0.41 -1.64 0.00 0.00 178.16 177.09 3kth n GLY 183 N -0.36 1.15 0.14 1.82 0.00 -0.69 -4.65 105.19 102.60 3kth n GLY 183 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 3kth n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kth h LEU 184 N 0.00 0.67 -9.81 0.99 3.38 -1.60 -3.35 115.31 105.58 3kth h LEU 184 Ca 0.00 -0.93 -0.60 0.00 0.09 0.00 0.00 57.88 56.44 3kth h LEU 184 Cb 0.00 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 40.43 3kth h LEU 184 CO 0.00 1.73 -0.54 0.27 0.09 0.00 0.00 178.44 179.99 3kth s ILE 185 N -2.57 2.10 -0.13 1.22 -4.36 -1.23 -4.33 121.20 111.90 3kth s ILE 185 Ca -0.14 -1.84 0.04 0.00 -0.26 0.00 0.00 60.65 58.45 3kth s ILE 185 Cb 0.05 -2.94 -0.11 0.00 1.25 0.00 0.00 42.46 40.71 3kth s ILE 185 CO 0.87 0.00 -0.06 0.47 0.24 0.00 0.00 174.94 176.46 3kth n ASP 186 N -1.13 2.69 -3.71 4.36 8.00 0.15 -4.65 116.55 122.25 3kth n ASP 186 Ca -0.04 -0.05 -0.13 0.00 0.71 0.00 0.00 54.79 55.29 3kth n ASP 186 Cb 0.66 0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 41.84 3kth n ASP 186 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3kth s LYS 187 N -2.27 0.82 -0.34 -1.24 2.20 -1.22 -5.05 119.74 112.64 3kth s LYS 187 Ca -0.14 -0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 55.03 3kth s LYS 187 Cb 0.04 0.36 0.01 0.00 -1.51 0.00 0.00 37.83 36.74 3kth s LYS 187 CO 0.37 -0.26 0.18 0.42 -0.36 0.00 0.00 175.35 175.69 3kth s ILE 188 N -2.15 4.53 0.71 5.43 1.01 -1.26 -2.76 121.20 126.71 3kth s ILE 188 Ca -0.08 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.76 3kth s ILE 188 Cb -0.02 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 39.04 3kth s ILE 188 CO -0.00 -0.10 1.12 -0.76 0.00 0.00 0.00 174.94 175.20 3kth s LEU 189 N 1.57 3.27 0.00 2.97 1.43 -0.73 -4.92 118.68 122.27 3kth s LEU 189 Ca 0.03 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 3kth s LEU 189 Cb -0.18 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.49 3kth s LEU 189 CO 0.06 -1.86 0.00 0.35 0.23 0.00 0.00 176.35 175.13 3kth n THR 190 N -2.81 0.00 -5.06 5.49 -2.24 -1.26 -4.07 114.28 104.34 3kth n THR 190 Ca 0.10 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.60 3kth n THR 190 Cb 0.52 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.59 3kth n THR 190 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kth s HIS 191 N -1.00 2.00 -0.01 4.78 3.76 -1.26 -5.07 115.29 118.49 3kth s HIS 191 Ca 0.00 -0.48 -0.23 0.00 -0.15 0.00 0.00 55.06 54.20 3kth s HIS 191 Cb 0.00 -1.31 -0.19 0.00 1.11 0.00 0.00 32.58 32.19 3kth s HIS 191 CO 0.00 -0.11 1.20 -0.07 -0.85 0.00 0.00 174.74 174.92 3kth h LEU 192 N 5.87 0.24 0.00 0.89 -0.00 -2.05 -3.55 115.31 116.71 3kth h LEU 192 Ca -0.36 -0.60 0.00 0.00 -0.00 0.00 0.00 57.88 56.92 3kth h LEU 192 Cb 1.15 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 3kth h LEU 192 CO 0.48 0.79 0.00 -1.84 -0.00 0.00 0.00 178.44 177.87