#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 4.42 -0.99 0.00 0.04 -1.26 -4.85 135.00 132.37 3kth s PRO 4 Ca 0.00 2.06 -0.14 0.00 0.04 0.00 0.00 61.00 62.96 3kth s PRO 4 Cb 0.00 -3.15 0.21 0.00 0.04 0.00 0.00 34.50 31.60 3kth s PRO 4 CO 0.00 -0.15 1.04 0.99 0.04 0.00 0.00 177.00 178.93 3kth s THR 5 N -0.52 5.45 -0.37 1.26 2.01 -1.26 -2.56 115.64 119.65 3kth s THR 5 Ca 0.52 -2.59 0.12 0.00 0.31 0.00 0.00 61.69 60.05 3kth s THR 5 Cb -0.37 -4.64 0.34 0.00 0.01 0.00 0.00 72.50 67.85 3kth s THR 5 CO 0.43 -1.26 0.73 0.55 -0.69 0.00 0.00 174.62 174.38 3kth n VAL 6 N 4.02 -0.19 -1.85 3.82 3.14 -1.26 -4.92 118.33 121.10 3kth n VAL 6 Ca 0.22 -4.45 0.00 0.00 -2.96 0.00 0.00 64.34 57.15 3kth n VAL 6 Cb 0.45 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 3kth n VAL 6 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3kth n TYR 17 N 0.34 -4.37 -2.06 1.45 4.02 -1.26 -5.00 117.16 110.29 3kth n TYR 17 Ca 0.24 2.60 -0.38 0.00 -0.01 0.00 0.00 57.90 60.35 3kth n TYR 17 Cb 0.65 -3.49 0.01 0.00 -0.02 0.00 0.00 39.34 36.49 3kth n TYR 17 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3kth s ASP 18 N -0.58 5.91 0.06 7.72 2.15 -1.26 -4.82 116.67 125.84 3kth s ASP 18 Ca 0.00 2.53 -0.24 0.00 0.43 0.00 0.00 52.55 55.27 3kth s ASP 18 Cb 0.00 -2.62 -0.17 0.00 -0.30 0.00 0.00 42.92 39.83 3kth s ASP 18 CO 0.00 -1.11 1.59 -0.29 -0.17 0.00 0.00 175.17 175.19 3kth h ILE 19 N 1.87 1.07 -0.35 4.11 6.09 -1.82 0.75 117.51 129.23 3kth h ILE 19 Ca -0.50 -0.33 0.06 0.00 -1.37 0.00 0.00 64.86 62.72 3kth h ILE 19 Cb 1.26 1.30 -0.02 0.00 0.47 0.00 0.00 36.82 39.83 3kth h ILE 19 CO 0.60 0.08 0.24 1.88 -3.07 0.00 0.00 178.15 177.88 3kth h TYR 20 N -0.19 0.20 -0.16 2.19 0.05 -1.92 -1.06 116.97 116.10 3kth h TYR 20 Ca -0.00 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 3kth h TYR 20 Cb 0.17 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.84 3kth h TYR 20 CO -0.03 0.11 -0.30 0.77 -1.05 0.00 0.00 178.16 177.66 3kth h SER 21 N 0.20 0.54 -0.56 3.88 0.02 -1.81 -2.16 113.55 113.66 3kth h SER 21 Ca 0.16 -0.55 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 3kth h SER 21 Cb 0.37 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3kth h SER 21 CO -0.03 0.99 0.30 -0.09 -1.14 0.00 0.00 176.83 176.86 3kth h ARG 22 N 0.11 0.82 0.00 3.45 9.65 -0.01 -0.87 114.38 127.52 3kth h ARG 22 Ca 0.01 -0.09 -0.08 0.00 -1.10 0.00 0.00 59.98 58.71 3kth h ARG 22 Cb 0.90 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.30 3kth h ARG 22 CO 0.07 0.62 -0.38 1.25 2.80 0.00 0.00 179.97 184.33 3kth h LEU 23 N 0.82 0.00 -1.20 3.80 5.85 -1.14 -1.32 115.31 122.12 3kth h LEU 23 Ca 0.21 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3kth h LEU 23 Cb 0.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3kth h LEU 23 CO -0.03 0.38 -0.27 0.25 -0.34 0.00 0.00 178.44 178.42 3kth h LEU 24 N 0.00 0.00 -1.56 2.25 5.85 -0.49 -2.33 115.31 119.02 3kth h LEU 24 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3kth h LEU 24 Cb 0.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3kth h LEU 24 CO 0.05 0.27 0.00 0.50 -0.34 0.00 0.00 178.44 178.92 3kth h LYS 25 N 0.00 0.28 -0.69 1.25 3.64 -0.74 0.52 116.57 120.83 3kth h LYS 25 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3kth h LYS 25 Cb 0.72 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3kth h LYS 25 CO 0.04 0.31 0.00 -0.25 -2.27 0.00 0.00 179.45 177.27 3kth n ASP 26 N -4.38 4.09 -2.81 4.20 10.43 -1.00 -4.90 116.55 122.19 3kth n ASP 26 Ca -0.00 -2.57 -0.14 0.00 2.57 0.00 0.00 54.79 54.65 3kth n ASP 26 Cb 0.18 -0.60 0.07 0.00 1.84 0.00 0.00 41.12 42.60 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 0.49 -5.19 -4.56 -1.24 1.74 0.17 -4.93 116.66 103.15 3kth n ARG 27 Ca 0.19 0.63 -0.27 0.00 -0.77 0.00 0.00 57.85 57.63 3kth n ARG 27 Cb 0.85 -5.01 -0.17 0.00 -1.02 0.00 0.00 32.46 27.11 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 -3.26 1.36 -0.14 0.55 1.01 -0.91 -2.10 121.20 117.70 3kth s ILE 28 Ca 0.11 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 3kth s ILE 28 Cb -0.05 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 3kth s ILE 28 CO 0.54 0.41 -0.07 -0.63 0.00 0.00 0.00 174.94 175.20 3kth s ILE 29 N 0.83 3.65 -0.30 2.92 1.01 0.42 -3.46 121.20 126.28 3kth s ILE 29 Ca -0.11 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 3kth s ILE 29 Cb -0.15 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 3kth s ILE 29 CO 0.01 0.51 0.11 -0.04 0.00 0.00 0.00 174.94 175.53 3kth s MET 30 N 0.27 3.24 -0.41 2.79 -1.94 -1.26 -1.20 119.30 120.78 3kth s MET 30 Ca -0.05 -0.77 -0.05 0.00 -1.71 0.00 0.00 55.69 53.11 3kth s MET 30 Cb -0.14 -3.45 0.10 0.00 2.01 0.00 0.00 34.83 33.35 3kth s MET 30 CO 0.04 -0.41 0.22 -1.17 -0.01 0.00 0.00 175.02 173.69 3kth s LEU 31 N 1.56 5.19 -0.40 -0.03 2.96 -0.72 -4.95 118.68 122.29 3kth s LEU 31 Ca 0.04 -1.84 0.11 0.00 -0.22 0.00 0.00 54.13 52.22 3kth s LEU 31 Cb -0.17 -1.88 0.41 0.00 0.50 0.00 0.00 46.19 45.05 3kth s LEU 31 CO 0.04 -0.54 0.97 0.61 -1.32 0.00 0.00 176.35 176.10 3kth n GLY 32 N 4.72 3.84 3.84 7.98 0.00 -1.26 -1.23 105.19 123.08 3kth n GLY 32 Ca -0.06 -2.03 -0.05 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.20 -0.04 0.96 1.61 1.04 -1.21 -4.94 113.70 107.93 3kth s SER 33 Ca 0.39 -0.79 -0.11 0.00 0.48 0.00 0.00 55.95 55.92 3kth s SER 33 Cb 0.40 0.63 0.17 0.00 0.10 0.00 0.00 66.02 67.32 3kth s SER 33 CO -0.08 -1.23 1.09 0.00 0.98 0.00 0.00 173.24 174.00 3kth s ALA 34 N -2.48 1.05 -0.32 5.32 0.00 -1.26 -4.41 121.76 119.65 3kth s ALA 34 Ca 0.18 0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 3kth s ALA 34 Cb -0.03 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.84 3kth s ALA 34 CO 0.07 -2.80 0.11 0.42 0.00 0.00 0.00 175.76 173.56 3kth s ILE 35 N -2.75 4.01 0.24 0.00 1.01 0.58 -4.87 121.20 119.43 3kth s ILE 35 Ca 0.65 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 60.46 3kth s ILE 35 Cb -0.21 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 3kth s ILE 35 CO 0.59 -0.06 0.06 1.51 0.00 0.00 0.00 174.94 177.04 3kth s ASP 36 N 1.48 1.36 0.31 3.58 3.84 -1.26 -0.28 116.67 125.69 3kth s ASP 36 Ca 0.01 -1.32 0.14 0.00 -0.00 0.00 0.00 52.55 51.39 3kth s ASP 36 Cb -0.18 0.12 1.05 0.00 -1.38 0.00 0.00 42.92 42.52 3kth s ASP 36 CO 0.03 -0.66 1.37 0.47 -0.00 0.00 0.00 175.17 176.38 3kth n ASP 37 N -0.43 0.20 0.10 2.11 10.43 -1.26 -0.93 116.55 126.78 3kth n ASP 37 Ca -0.02 1.45 -0.12 0.00 2.57 0.00 0.00 54.79 58.66 3kth n ASP 37 Cb 0.65 -0.66 -0.08 0.00 1.84 0.00 0.00 41.12 42.87 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 -0.25 -0.60 -2.24 -0.73 -1.99 -1.56 115.58 108.21 3kth h ASN 38 Ca 0.69 -0.27 0.03 0.00 1.87 0.00 0.00 56.30 58.62 3kth h ASN 38 Cb 1.74 0.06 -0.04 0.00 0.27 0.00 0.00 38.32 40.36 3kth h ASN 38 CO -0.70 0.19 0.36 0.58 -0.37 0.00 0.00 177.43 177.48 3kth h VAL 39 N -0.75 1.06 -0.39 2.57 2.07 -1.37 -1.54 116.25 117.90 3kth h VAL 39 Ca -0.03 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.29 3kth h VAL 39 Cb 0.50 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3kth h VAL 39 CO 0.05 0.13 0.16 0.00 0.02 0.00 0.00 177.57 177.93 3kth h ALA 40 N 1.27 0.47 -0.73 1.67 0.00 -1.07 -1.15 119.26 119.71 3kth h ALA 40 Ca 0.24 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3kth h ALA 40 Cb 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3kth h ALA 40 CO -0.11 -0.22 0.48 -0.97 0.00 0.00 0.00 179.25 178.43 3kth h ASN 41 N 0.34 0.75 0.34 0.00 -0.73 -0.55 0.83 115.58 116.56 3kth h ASN 41 Ca 0.17 -0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.32 3kth h ASN 41 Cb 0.12 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.54 3kth h ASN 41 CO -0.15 0.51 -0.16 -1.28 -0.37 0.00 0.00 177.43 175.98 3kth h SER 42 N 0.87 -0.38 -0.83 1.15 0.87 -0.40 -2.29 113.55 112.53 3kth h SER 42 Ca 0.29 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 3kth h SER 42 Cb 0.08 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.09 3kth h SER 42 CO -0.09 0.03 0.52 0.40 -0.53 0.00 0.00 176.83 177.16 3kth h ILE 43 N -0.87 1.06 -0.53 2.23 2.04 -1.04 0.69 117.51 121.08 3kth h ILE 43 Ca -0.05 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 3kth h ILE 43 Cb 0.53 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3kth h ILE 43 CO 0.08 0.18 0.32 0.58 0.00 0.00 0.00 178.15 179.30 3kth h VAL 44 N 0.96 1.16 -0.85 1.67 2.07 -0.89 0.68 116.25 121.06 3kth h VAL 44 Ca 0.35 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3kth h VAL 44 Cb 0.12 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3kth h VAL 44 CO -0.15 0.17 0.53 0.28 0.02 0.00 0.00 177.57 178.41 3kth h SER 45 N 0.72 1.00 -0.35 0.57 0.02 -0.66 0.56 113.55 115.40 3kth h SER 45 Ca 0.19 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 3kth h SER 45 Cb -0.01 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 3kth h SER 45 CO -0.04 0.75 -0.03 1.56 -1.14 0.00 0.00 176.83 177.93 3kth h GLN 46 N 1.16 0.65 0.23 3.45 4.20 -0.16 -1.35 115.11 123.28 3kth h GLN 46 Ca 0.31 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3kth h GLN 46 Cb -0.08 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3kth h GLN 46 CO -0.06 0.78 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.68 3kth h LEU 47 N 0.45 -0.32 -0.83 1.46 3.38 -0.23 -0.99 115.31 118.24 3kth h LEU 47 Ca 0.10 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.19 3kth h LEU 47 Cb 0.51 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 3kth h LEU 47 CO 0.02 -0.21 0.46 -0.07 0.09 0.00 0.00 178.44 178.73 3kth h LEU 48 N -0.34 0.63 -0.08 1.67 3.38 -0.85 -1.40 115.31 118.32 3kth h LEU 48 Ca -0.02 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kth h LEU 48 Cb 0.28 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kth h LEU 48 CO 0.03 0.34 0.04 0.15 0.09 0.00 0.00 178.44 179.09 3kth h PHE 49 N 0.74 0.12 -0.83 1.13 3.57 -0.90 -2.58 116.94 118.21 3kth h PHE 49 Ca 0.41 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.92 3kth h PHE 49 Cb 0.44 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 3kth h PHE 49 CO -0.07 0.21 0.55 -0.07 -2.23 0.00 0.00 178.31 176.70 3kth h LEU 50 N -0.00 0.94 -1.74 0.59 3.38 -0.72 -1.54 115.31 116.22 3kth h LEU 50 Ca 0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kth h LEU 50 Cb 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kth h LEU 50 CO -0.00 0.68 -0.16 0.00 0.09 0.00 0.00 178.44 179.04 3kth h ALA 51 N 1.49 1.31 0.00 1.53 0.00 -1.05 -2.39 119.26 120.16 3kth h ALA 51 Ca 0.31 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3kth h ALA 51 Cb -0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kth h ALA 51 CO -0.07 0.20 -0.94 0.00 0.00 0.00 0.00 179.25 178.44 3kth h ALA 52 N 1.84 0.55 -0.07 0.00 0.00 -0.90 -2.83 119.26 117.84 3kth h ALA 52 Ca -0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 54.91 53.91 3kth h ALA 52 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kth h ALA 52 CO 0.02 1.01 -0.80 0.93 0.00 0.00 0.00 179.25 180.41 3kth h GLU 53 N 0.00 0.51 -0.56 0.00 4.39 -0.92 -3.43 114.58 114.56 3kth h GLU 53 Ca -0.06 -0.44 0.08 0.00 0.34 0.00 0.00 59.36 59.28 3kth h GLU 53 Cb 1.63 0.10 -0.19 0.00 -0.10 0.00 0.00 28.75 30.19 3kth h GLU 53 CO 0.09 1.08 -0.23 0.34 -1.16 0.00 0.00 179.01 179.13 3kth s ASP 54 N -7.04 -0.89 0.00 1.42 -1.08 -1.06 -5.01 116.67 103.02 3kth s ASP 54 Ca -0.07 -0.26 0.10 0.00 -0.52 0.00 0.00 52.55 51.80 3kth s ASP 54 Cb 0.10 1.27 0.59 0.00 -1.46 0.00 0.00 42.92 43.42 3kth s ASP 54 CO 0.86 -0.12 1.01 -0.81 0.52 0.00 0.00 175.17 176.64 3kth n PRO 55 N 4.43 0.40 -0.10 4.34 -0.04 -1.07 -3.06 135.00 139.90 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 -1.39 -0.11 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.89 0.62 -2.15 0.54 -0.58 -1.26 -3.19 120.64 113.73 3kth n GLU 56 Ca 0.07 0.34 -0.37 0.00 -0.42 0.00 0.00 57.16 56.78 3kth n GLU 56 Cb 0.03 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 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 3.65 0.81 3.49 1.02 -1.17 -4.80 119.74 120.26 3kth s LYS 57 Ca -0.33 1.90 -0.10 0.00 0.02 0.00 0.00 55.97 57.46 3kth s LYS 57 Cb 0.10 -2.41 0.08 0.00 -0.52 0.00 0.00 37.83 35.08 3kth s LYS 57 CO 0.58 -0.68 1.10 -2.00 -0.92 0.00 0.00 175.35 173.44 3kth s GLU 58 N -2.70 1.96 -0.01 1.68 2.12 -1.26 -4.52 118.70 115.96 3kth s GLU 58 Ca 0.65 1.25 0.04 0.00 0.36 0.00 0.00 54.97 57.27 3kth s GLU 58 Cb -0.32 -1.86 -0.01 0.00 0.26 0.00 0.00 34.13 32.21 3kth s GLU 58 CO 0.38 -1.88 -0.12 0.42 -0.54 0.00 0.00 175.26 173.52 3kth s ILE 59 N -2.85 0.99 -0.14 -3.70 1.01 -0.66 -4.94 121.20 110.92 3kth s ILE 59 Ca 0.62 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.75 3kth s ILE 59 Cb -0.18 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 3kth s ILE 59 CO 0.56 0.28 -0.14 -0.44 0.00 0.00 0.00 174.94 175.21 3kth s SER 60 N -0.21 3.90 -0.45 3.58 0.01 -0.89 0.78 113.70 120.42 3kth s SER 60 Ca 0.03 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.92 3kth s SER 60 Cb -0.06 -1.60 0.12 0.00 0.21 0.00 0.00 66.02 64.70 3kth s SER 60 CO -0.00 0.14 0.21 -0.22 0.41 0.00 0.00 173.24 173.78 3kth s LEU 61 N 0.49 4.97 0.29 2.44 2.96 0.15 -0.43 118.68 129.54 3kth s LEU 61 Ca -0.10 -2.37 -0.29 0.00 -0.22 0.00 0.00 54.13 51.15 3kth s LEU 61 Cb -0.16 -1.75 -0.10 0.00 0.50 0.00 0.00 46.19 44.69 3kth s LEU 61 CO 0.04 -0.42 1.21 -0.31 -1.32 0.00 0.00 176.35 175.56 3kth s TYR 62 N 0.63 3.33 -0.10 5.38 1.51 -0.34 -2.51 117.35 125.25 3kth s TYR 62 Ca 0.12 1.52 -0.00 0.00 -1.01 0.00 0.00 57.07 57.70 3kth s TYR 62 Cb -0.22 -3.48 0.02 0.00 -0.11 0.00 0.00 41.96 38.17 3kth s TYR 62 CO -0.04 -1.24 -0.07 0.42 -1.11 0.00 0.00 175.55 173.50 3kth s ILE 63 N -0.95 0.95 -0.42 2.71 1.01 -0.23 -1.75 121.20 122.53 3kth s ILE 63 Ca 0.48 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.92 3kth s ILE 63 Cb -0.36 -0.98 0.17 0.00 0.01 0.00 0.00 42.46 41.31 3kth s ILE 63 CO 0.45 0.35 0.38 0.21 0.00 0.00 0.00 174.94 176.33 3kth s ASN 64 N 1.66 1.18 0.02 3.58 2.47 -0.37 -1.05 114.94 122.42 3kth s ASN 64 Ca 0.03 -2.76 0.01 0.00 0.42 0.00 0.00 52.86 50.57 3kth s ASN 64 Cb -0.13 -0.10 -0.01 0.00 -1.45 0.00 0.00 41.25 39.56 3kth s ASN 64 CO -0.07 -0.17 -0.04 -0.55 -3.72 0.00 0.00 177.10 172.55 3kth s SER 65 N 0.32 0.41 0.00 -4.21 0.15 0.63 -3.35 113.70 107.65 3kth s SER 65 Ca 0.31 -0.32 0.29 0.00 0.70 0.00 0.00 55.95 56.93 3kth s SER 65 Cb 0.00 0.03 1.50 0.00 -1.71 0.00 0.00 66.02 65.84 3kth s SER 65 CO -0.15 -0.14 2.02 -0.81 1.20 0.00 0.00 173.24 175.36 3kth n PRO 66 N 2.17 0.46 0.00 5.44 -0.04 -1.26 -1.90 135.00 139.87 3kth n PRO 66 Ca -0.19 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 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 1.15 -0.25 0.00 0.55 0.00 -1.16 -4.40 105.19 101.08 3kth n GLY 67 Ca 0.15 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.67 3.72 -0.02 0.00 -1.26 -0.30 105.19 106.66 3kth n GLY 68 Ca 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 7.14 0.19 1.61 0.15 0.62 -4.77 113.70 114.64 3kth s SER 69 Ca 0.00 2.06 -0.11 0.00 0.70 0.00 0.00 55.95 58.60 3kth s SER 69 Cb 0.00 -2.59 0.22 0.00 -1.71 0.00 0.00 66.02 61.94 3kth s SER 69 CO 0.00 -0.38 1.74 0.40 1.20 0.00 0.00 173.24 176.20 3kth h ILE 70 N 4.18 0.78 -0.06 6.45 5.03 -1.96 -1.03 117.51 130.89 3kth h ILE 70 Ca -0.43 -0.12 -0.01 0.00 -0.12 0.00 0.00 64.86 64.18 3kth h ILE 70 Cb 1.21 0.40 -0.00 0.00 -3.03 0.00 0.00 36.82 35.40 3kth h ILE 70 CO 0.77 0.06 -0.00 0.71 -0.68 0.00 0.00 178.15 179.02 3kth h THR 71 N 0.35 1.25 -1.00 -0.27 1.35 -1.98 -1.82 112.91 110.79 3kth h THR 71 Ca 0.27 -0.78 0.17 0.00 -0.55 0.00 0.00 66.41 65.52 3kth h THR 71 Cb 0.32 1.65 -0.10 0.00 -1.73 0.00 0.00 68.15 68.29 3kth h THR 71 CO -0.29 0.21 0.62 0.00 -0.25 0.00 0.00 175.52 175.81 3kth h ALA 72 N 0.72 1.65 0.42 6.62 0.00 -1.83 -0.99 119.26 125.85 3kth h ALA 72 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kth h ALA 72 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kth h ALA 72 CO 0.00 0.02 -0.20 0.78 0.00 0.00 0.00 179.25 179.86 3kth h GLY 73 N 0.83 -0.59 0.54 0.00 0.00 -0.97 -2.93 103.07 99.95 3kth h GLY 73 Ca 0.54 0.22 0.18 0.00 0.00 0.00 0.00 47.33 48.27 3kth h GLY 73 CO -0.32 -0.21 0.53 -0.33 0.00 0.00 0.00 176.54 176.20 3kth h MET 74 N -0.81 0.28 0.21 4.80 2.86 -0.61 0.17 114.93 121.82 3kth h MET 74 Ca -0.06 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3kth h MET 74 Cb 0.54 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3kth h MET 74 CO 0.09 0.18 -0.15 0.00 1.06 0.00 0.00 176.91 178.10 3kth h ALA 75 N 1.64 -0.34 0.28 6.32 0.00 -1.09 0.20 119.26 126.26 3kth h ALA 75 Ca 0.39 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3kth h ALA 75 Cb 1.10 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3kth h ALA 75 CO -0.10 -0.71 -0.25 0.82 0.00 0.00 0.00 179.25 179.02 3kth h ILE 76 N -0.36 0.47 -0.14 0.00 1.08 -0.64 -1.23 117.51 116.69 3kth h ILE 76 Ca -0.02 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.47 3kth h ILE 76 Cb 0.31 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 3kth h ILE 76 CO 0.00 0.00 -0.15 0.22 -0.69 0.00 0.00 178.15 177.54 3kth h TYR 77 N -0.55 -0.46 -0.73 1.37 3.20 -0.48 0.58 116.97 119.90 3kth h TYR 77 Ca -0.01 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.03 3kth h TYR 77 Cb 0.49 0.22 -0.10 0.00 1.54 0.00 0.00 36.73 38.88 3kth h TYR 77 CO -0.15 -0.12 0.21 -0.44 -1.64 0.00 0.00 178.16 176.01 3kth h ASP 78 N -0.09 0.08 -1.00 -2.11 3.45 -0.61 0.12 116.42 116.26 3kth h ASP 78 Ca 0.02 0.13 0.08 0.00 0.43 0.00 0.00 57.03 57.69 3kth h ASP 78 Cb 0.15 0.16 -0.07 0.00 -0.56 0.00 0.00 39.33 39.01 3kth h ASP 78 CO -0.17 0.00 0.64 0.74 -1.57 0.00 0.00 179.24 178.88 3kth h THR 79 N 0.31 1.05 -0.34 0.35 2.02 -0.26 0.35 112.91 116.40 3kth h THR 79 Ca 0.41 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3kth h THR 79 Cb 0.67 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3kth h THR 79 CO -0.47 0.21 0.17 0.24 0.37 0.00 0.00 175.52 176.04 3kth h MET 80 N 1.13 0.48 0.00 6.66 2.86 0.15 -2.25 114.93 123.95 3kth h MET 80 Ca 0.44 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.89 3kth h MET 80 Cb 0.23 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3kth h MET 80 CO -0.19 0.42 -0.62 1.96 1.06 0.00 0.00 176.91 179.53 3kth h GLN 81 N 0.41 0.00 0.13 1.72 1.08 -0.76 -3.32 115.11 114.37 3kth h GLN 81 Ca 0.12 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 3kth h GLN 81 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3kth h GLN 81 CO -0.02 0.62 -0.06 0.35 -0.95 0.00 0.00 178.83 178.77 3kth h PHE 82 N 0.00 -0.16 -4.17 2.96 3.57 -0.05 -3.45 116.94 115.64 3kth h PHE 82 Ca -0.01 -0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.96 3kth h PHE 82 Cb 1.13 0.05 0.15 0.00 2.79 0.00 0.00 35.95 40.07 3kth h PHE 82 CO 0.00 0.20 0.41 0.96 -2.23 0.00 0.00 178.31 177.65 3kth s ILE 83 N -4.60 2.35 0.04 1.41 -4.36 -0.87 -4.96 121.20 110.21 3kth s ILE 83 Ca -0.15 0.18 -0.24 0.00 -0.26 0.00 0.00 60.65 60.18 3kth s ILE 83 Cb 0.02 -2.79 -0.17 0.00 1.25 0.00 0.00 42.46 40.78 3kth s ILE 83 CO 0.61 -0.09 1.53 0.50 0.24 0.00 0.00 174.94 177.73 3kth h LYS 84 N -0.15 0.02 -6.78 0.37 1.63 -1.88 -3.45 116.57 106.33 3kth h LYS 84 Ca -0.48 -0.01 -0.56 0.00 -0.85 0.00 0.00 60.65 58.76 3kth h LYS 84 Cb 1.30 -0.00 0.18 0.00 -0.60 0.00 0.00 32.23 33.11 3kth h LYS 84 CO 0.50 0.23 -0.20 -2.30 -3.45 0.00 0.00 179.45 174.23 3kth n PRO 85 N -4.97 0.35 -3.38 1.90 -0.02 -1.19 -4.95 135.00 122.73 3kth n PRO 85 Ca -0.07 0.16 -0.38 0.00 -2.02 0.00 0.00 63.50 61.19 3kth n PRO 85 Cb 0.13 -1.98 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 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 -3.03 4.19 -0.32 -0.52 1.02 -1.26 -4.95 119.74 114.87 3kth s LYS 86 Ca 0.68 0.23 -0.17 0.00 0.02 0.00 0.00 55.97 56.73 3kth s LYS 86 Cb -0.34 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.42 3kth s LYS 86 CO 0.55 -0.03 0.46 0.08 -0.92 0.00 0.00 175.35 175.49 3kth s VAL 87 N 1.27 5.08 -0.03 3.17 1.01 -1.26 -1.66 120.40 127.99 3kth s VAL 87 Ca 0.20 0.43 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 3kth s VAL 87 Cb -0.15 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 3kth s VAL 87 CO 0.08 -0.07 0.47 -0.55 0.00 0.00 0.00 175.10 175.03 3kth s SER 88 N 1.70 6.82 -0.03 3.32 0.15 0.23 -0.58 113.70 125.31 3kth s SER 88 Ca 0.17 0.98 0.04 0.00 0.70 0.00 0.00 55.95 57.84 3kth s SER 88 Cb -0.16 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 61.84 3kth s SER 88 CO 0.12 0.20 -0.15 0.42 1.20 0.00 0.00 173.24 175.03 3kth s THR 89 N -0.46 3.04 -0.23 6.45 -4.23 -1.04 0.30 115.64 119.47 3kth s THR 89 Ca 0.26 -0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 59.95 3kth s THR 89 Cb -0.17 -2.21 0.07 0.00 1.34 0.00 0.00 72.50 71.53 3kth s THR 89 CO 0.14 0.54 0.02 -0.63 -0.54 0.00 0.00 174.62 174.15 3kth s ILE 90 N -0.78 0.90 -0.39 2.99 1.09 -1.04 -0.02 121.20 123.95 3kth s ILE 90 Ca 0.12 -0.91 -0.29 0.00 -1.10 0.00 0.00 60.65 58.47 3kth s ILE 90 Cb -0.11 -1.38 0.01 0.00 -1.06 0.00 0.00 42.46 39.92 3kth s ILE 90 CO 0.02 -0.26 1.37 0.00 -0.10 0.00 0.00 174.94 175.97 3kth s ILE 92 N 5.11 2.91 0.00 0.00 2.07 -0.22 -2.71 121.20 128.36 3kth s ILE 92 Ca 0.59 -1.12 0.00 0.00 -1.41 0.00 0.00 60.65 58.71 3kth s ILE 92 Cb -0.14 -2.53 0.00 0.00 0.13 0.00 0.00 42.46 39.92 3kth s ILE 92 CO 0.30 0.11 0.00 0.61 -1.91 0.00 0.00 174.94 174.06 3kth n GLY 93 N 4.66 1.92 3.50 1.50 0.00 -1.26 -4.09 105.19 111.41 3kth n GLY 93 Ca -0.16 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 0.64 -0.20 1.61 -2.45 -1.26 -2.13 119.30 115.51 3kth s MET 94 Ca 0.00 0.94 -0.03 0.00 -1.25 0.00 0.00 55.69 55.35 3kth s MET 94 Cb 0.00 0.21 0.06 0.00 1.25 0.00 0.00 34.83 36.35 3kth s MET 94 CO 0.00 -0.12 0.04 0.00 1.05 0.00 0.00 175.02 175.99 3kth s ALA 95 N 0.93 1.03 0.25 4.11 0.00 -0.50 -0.27 121.76 127.32 3kth s ALA 95 Ca -0.05 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.24 3kth s ALA 95 Cb -0.05 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 3kth s ALA 95 CO -0.08 -1.20 -0.09 0.00 0.00 0.00 0.00 175.76 174.39 3kth s ALA 96 N 1.84 2.21 0.00 0.00 0.00 -0.80 -1.52 121.76 123.50 3kth s ALA 96 Ca -0.01 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.15 3kth s ALA 96 Cb -0.17 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3kth s ALA 96 CO -0.09 -0.01 0.00 0.45 0.00 0.00 0.00 175.76 176.11 3kth n SER 97 N -0.50 0.00 -0.34 0.00 2.88 -0.80 0.10 113.62 114.96 3kth n SER 97 Ca -0.06 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 57.70 3kth n SER 97 Cb 0.62 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.57 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 0.40 -0.37 -1.46 2.07 -1.88 0.81 114.93 114.49 3kth h MET 98 Ca 0.00 -0.02 0.08 0.00 -2.07 0.00 0.00 59.70 57.68 3kth h MET 98 Cb 0.00 -0.09 -0.08 0.00 -1.87 0.00 0.00 31.60 29.56 3kth h MET 98 CO 0.00 0.27 -0.13 0.78 1.07 0.00 0.00 176.91 178.89 3kth h GLY 99 N 0.41 0.20 0.95 8.32 0.00 -0.61 0.45 103.07 112.79 3kth h GLY 99 Ca 0.63 0.17 0.01 0.00 0.00 0.00 0.00 47.33 48.14 3kth h GLY 99 CO -0.36 -0.17 0.22 0.00 0.00 0.00 0.00 176.54 176.24 3kth h ALA 100 N 1.28 0.46 -0.11 3.60 0.00 -0.72 -1.63 119.26 122.12 3kth h ALA 100 Ca 0.18 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3kth h ALA 100 Cb 0.34 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3kth h ALA 100 CO -0.42 -0.11 -0.35 0.35 0.00 0.00 0.00 179.25 178.72 3kth h PHE 101 N 0.46 -0.97 -0.99 0.00 3.57 -0.34 -1.20 116.94 117.47 3kth h PHE 101 Ca 0.14 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.76 3kth h PHE 101 Cb -0.02 0.44 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 3kth h PHE 101 CO -0.06 -0.42 0.64 -0.07 -2.23 0.00 0.00 178.31 176.16 3kth h LEU 102 N -0.43 0.98 -0.78 0.59 3.38 0.22 -0.61 115.31 118.67 3kth h LEU 102 Ca 0.09 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3kth h LEU 102 Cb 0.57 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3kth h LEU 102 CO -0.36 0.59 0.48 0.25 0.09 0.00 0.00 178.44 179.50 3kth h LEU 103 N 1.09 0.78 -0.94 1.67 5.85 -0.30 -1.12 115.31 122.34 3kth h LEU 103 Ca 0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.17 3kth h LEU 103 Cb 0.29 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3kth h LEU 103 CO -0.20 0.53 0.00 0.00 -0.34 0.00 0.00 178.44 178.43 3kth h ALA 104 N 1.35 1.00 0.00 1.25 0.00 -0.07 -2.90 119.26 119.89 3kth h ALA 104 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3kth h ALA 104 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kth h ALA 104 CO -0.13 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.12 3kth h ALA 105 N 2.15 1.00 -2.78 0.00 0.00 -0.38 -3.46 119.26 115.79 3kth h ALA 105 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3kth h ALA 105 Cb 0.49 0.00 0.17 0.00 0.00 0.00 0.00 17.79 18.45 3kth h ALA 105 CO 0.00 0.00 0.06 0.41 0.00 0.00 0.00 179.25 179.72 3kth n GLY 106 N 1.25 -0.47 3.58 0.00 0.00 -1.10 -4.76 105.19 103.70 3kth n GLY 106 Ca 0.05 -0.20 -0.57 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.16 0.85 -1.62 1.61 4.07 0.25 -4.78 120.64 119.86 3kth n GLU 107 Ca 0.14 0.29 -0.56 0.00 -0.06 0.00 0.00 57.16 56.96 3kth n GLU 107 Cb 0.48 -2.05 -0.07 0.00 -0.06 0.00 0.00 31.44 29.75 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 6.29 0.82 0.00 5.31 3.00 -1.26 -0.18 118.16 132.14 3kth n LYS 108 Ca 0.35 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 3kth n LYS 108 Cb 0.11 -1.91 0.00 0.00 0.00 0.00 0.00 35.03 33.23 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 2.87 2.14 1.65 3.14 0.00 -1.26 -4.89 105.19 108.85 3kth n GLY 109 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.58 1.62 -3.54 1.61 5.02 0.75 -4.93 118.16 117.11 3kth n LYS 110 Ca 0.00 -3.17 -0.41 0.00 -2.02 0.00 0.00 58.31 52.70 3kth n LYS 110 Cb 0.00 -1.31 -0.08 0.00 -0.02 0.00 0.00 35.03 33.63 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 -2.53 2.64 0.52 1.97 0.52 -1.25 -2.51 118.95 118.31 3kth s ARG 111 Ca 0.37 -1.94 0.08 0.00 -0.52 0.00 0.00 55.73 53.73 3kth s ARG 111 Cb 0.37 -3.98 0.05 0.00 0.52 0.00 0.00 34.95 31.92 3kth s ARG 111 CO -0.07 -1.21 0.64 0.71 0.02 0.00 0.00 175.30 175.39 3kth s TYR 112 N 1.06 1.85 -0.20 -0.53 1.51 0.96 0.09 117.35 122.09 3kth s TYR 112 Ca 0.08 -0.66 -0.27 0.00 -1.01 0.00 0.00 57.07 55.22 3kth s TYR 112 Cb -0.24 -2.19 0.08 0.00 -0.11 0.00 0.00 41.96 39.50 3kth s TYR 112 CO -0.02 -0.79 0.75 0.00 -1.11 0.00 0.00 175.55 174.37 3kth s ALA 113 N -2.60 -1.80 0.59 3.71 0.00 -1.13 -1.59 121.76 118.93 3kth s ALA 113 Ca 0.54 1.80 -0.09 0.00 0.00 0.00 0.00 51.96 54.21 3kth s ALA 113 Cb -0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 3kth s ALA 113 CO 0.34 -0.34 0.97 -0.51 0.00 0.00 0.00 175.76 176.21 3kth s LEU 114 N -0.13 3.32 0.11 0.00 1.43 -1.10 -1.67 118.68 120.64 3kth s LEU 114 Ca -0.03 1.27 -0.21 0.00 -1.03 0.00 0.00 54.13 54.13 3kth s LEU 114 Cb -0.03 -4.28 -0.05 0.00 0.03 0.00 0.00 46.19 41.86 3kth s LEU 114 CO 0.03 -0.81 1.04 -2.65 0.23 0.00 0.00 176.35 174.19 3kth n PRO 115 N -2.63 -0.29 -0.80 1.29 -0.02 -1.26 -0.80 135.00 130.49 3kth n PRO 115 Ca 0.05 1.02 0.01 0.00 -2.02 0.00 0.00 63.50 62.55 3kth n PRO 115 Cb 0.54 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.82 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 -4.81 4.65 -4.71 2.55 4.13 -1.26 -4.52 115.26 111.29 3kth n ASN 116 Ca 0.01 -2.88 -0.31 0.00 1.68 0.00 0.00 54.58 53.09 3kth n ASN 116 Cb 0.17 -0.68 0.14 0.00 -1.54 0.00 0.00 39.78 37.87 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 -0.69 3.53 0.00 6.41 0.01 0.02 -4.78 113.70 118.20 3kth s SER 117 Ca 0.45 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.61 3kth s SER 117 Cb 0.35 -2.48 -0.00 0.00 0.21 0.00 0.00 66.02 64.10 3kth s SER 117 CO 0.12 -2.67 -0.02 -0.70 0.41 0.00 0.00 173.24 170.39 3kth s GLU 118 N -4.78 0.13 -0.03 12.44 2.12 -0.90 -3.33 118.70 124.34 3kth s GLU 118 Ca 0.64 -0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.90 3kth s GLU 118 Cb -0.20 -0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.10 3kth s GLU 118 CO 0.57 0.02 -0.07 0.08 -0.54 0.00 0.00 175.26 175.32 3kth s VAL 119 N -0.14 0.68 -0.03 3.70 1.01 -0.22 -1.40 120.40 124.00 3kth s VAL 119 Ca -0.01 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3kth s VAL 119 Cb -0.01 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.75 3kth s VAL 119 CO -0.00 0.22 -0.08 -0.32 0.00 0.00 0.00 175.10 174.93 3kth s MET 120 N 0.33 0.86 0.16 2.72 0.00 -0.57 0.17 119.30 122.97 3kth s MET 120 Ca -0.05 -0.25 0.09 0.00 0.00 0.00 0.00 55.69 55.49 3kth s MET 120 Cb -0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 34.83 33.88 3kth s MET 120 CO 0.00 0.07 -0.20 0.96 0.00 0.00 0.00 175.02 175.86 3kth s ILE 121 N 0.29 1.93 0.02 10.11 -4.36 -0.90 -1.90 121.20 126.39 3kth s ILE 121 Ca -0.04 -1.90 -0.29 0.00 -0.26 0.00 0.00 60.65 58.16 3kth s ILE 121 Cb -0.09 -1.88 0.10 0.00 1.25 0.00 0.00 42.46 41.85 3kth s ILE 121 CO 0.00 -0.24 1.09 -1.38 0.24 0.00 0.00 174.94 174.65 3kth s HIS 122 N -1.85 -0.14 0.69 1.37 -3.43 -1.26 -1.75 115.29 108.91 3kth s HIS 122 Ca 0.16 -0.03 -0.11 0.00 -0.80 0.00 0.00 55.06 54.27 3kth s HIS 122 Cb -0.07 0.57 0.01 0.00 -1.43 0.00 0.00 32.58 31.66 3kth s HIS 122 CO 0.07 -0.51 1.06 1.14 -2.00 0.00 0.00 174.74 174.50 3kth s GLN 123 N -2.86 2.93 0.58 -0.38 -2.07 -0.12 -4.93 119.66 112.80 3kth s GLN 123 Ca 0.11 1.00 -0.20 0.00 -1.82 0.00 0.00 55.36 54.44 3kth s GLN 123 Cb 0.01 -1.99 -0.04 0.00 -1.09 0.00 0.00 33.01 29.89 3kth s GLN 123 CO -0.03 -1.11 1.20 -2.30 -1.32 0.00 0.00 175.29 171.74 3kth n PRO 124 N -3.04 1.30 -4.45 9.60 -0.02 -1.26 -5.05 135.00 132.09 3kth n PRO 124 Ca 0.08 0.49 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 3kth n PRO 124 Cb 0.53 -2.40 -0.11 0.00 -0.02 0.00 0.00 33.50 31.50 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 -2.99 2.86 0.00 2.45 1.43 -1.26 -5.10 118.68 116.06 3kth s LEU 125 Ca 0.75 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3kth s LEU 125 Cb -0.42 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.12 3kth s LEU 125 CO 0.47 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.89 3kth n GLY 126 N 1.21 1.74 3.59 -3.19 0.00 -1.26 -5.03 105.19 102.25 3kth n GLY 126 Ca -0.15 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.09 -0.42 0.24 -0.02 0.00 -1.26 -5.17 107.32 99.60 3kth s GLY 127 Ca 0.00 1.97 0.11 0.00 0.00 0.00 0.00 44.72 46.80 3kth s GLY 127 CO 0.00 1.43 -0.17 0.00 0.00 0.00 0.00 173.10 174.36 3kth s ALA 128 N -0.34 2.78 -0.30 3.20 0.00 -1.26 -5.05 121.76 120.78 3kth s ALA 128 Ca -0.03 -1.74 -0.12 0.00 0.00 0.00 0.00 51.96 50.08 3kth s ALA 128 Cb -0.03 -0.41 0.14 0.00 0.00 0.00 0.00 23.12 22.82 3kth s ALA 128 CO 0.02 0.34 0.76 -1.14 0.00 0.00 0.00 175.76 175.73 3kth s GLN 129 N -3.23 0.49 0.00 0.00 2.00 -1.26 -5.05 119.66 112.61 3kth s GLN 129 Ca 0.27 1.23 0.00 0.00 -2.00 0.00 0.00 55.36 54.87 3kth s GLN 129 Cb -0.06 0.74 0.00 0.00 0.80 0.00 0.00 33.01 34.49 3kth s GLN 129 CO 0.14 -0.17 0.00 0.41 -0.50 0.00 0.00 175.29 175.17 3kth n GLY 130 N 5.30 0.46 3.81 2.59 0.00 -1.26 -4.84 105.19 111.25 3kth n GLY 130 Ca -0.11 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.51 3.41 0.21 1.61 -0.21 -1.26 -4.80 119.66 117.10 3kth s GLN 131 Ca 0.00 1.14 -0.20 0.00 0.02 0.00 0.00 55.36 56.32 3kth s GLN 131 Cb 0.00 -2.05 0.18 0.00 1.00 0.00 0.00 33.01 32.14 3kth s GLN 131 CO 0.00 -0.73 1.57 0.00 -2.12 0.00 0.00 175.29 174.00 3kth h ALA 132 N 0.43 0.03 -0.14 6.09 0.00 -1.99 0.13 119.26 123.81 3kth h ALA 132 Ca -0.47 0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3kth h ALA 132 Cb 1.21 0.94 -0.06 0.00 0.00 0.00 0.00 17.79 19.88 3kth h ALA 132 CO 0.58 -0.67 -0.52 1.15 0.00 0.00 0.00 179.25 179.79 3kth h THR 133 N -0.07 0.00 -0.88 0.00 2.02 -1.99 -0.71 112.91 111.28 3kth h THR 133 Ca 0.29 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.69 3kth h THR 133 Cb 0.57 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.86 3kth h THR 133 CO -0.86 0.00 0.35 -0.33 0.37 0.00 0.00 175.52 175.05 3kth h GLU 134 N -0.56 0.34 -0.53 6.66 5.08 -1.17 0.12 114.58 124.53 3kth h GLU 134 Ca 0.03 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3kth h GLU 134 Cb 0.65 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3kth h GLU 134 CO -0.42 0.23 -0.09 0.82 -1.00 0.00 0.00 179.01 178.54 3kth h ILE 135 N 0.35 1.27 -0.57 3.13 2.04 -0.31 -2.03 117.51 121.39 3kth h ILE 135 Ca 0.54 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 3kth h ILE 135 Cb 1.04 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3kth h ILE 135 CO -0.55 0.43 0.23 -0.08 0.00 0.00 0.00 178.15 178.19 3kth h GLU 136 N 0.88 0.85 -0.89 2.37 4.81 0.59 0.20 114.58 123.39 3kth h GLU 136 Ca 0.14 -0.15 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 3kth h GLU 136 Cb 0.64 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.81 3kth h GLU 136 CO 0.04 0.73 0.54 0.82 -0.73 0.00 0.00 179.01 180.41 3kth h ILE 137 N 0.78 0.95 -0.09 2.32 1.08 -0.57 0.16 117.51 122.14 3kth h ILE 137 Ca 0.19 -0.31 -0.22 0.00 -0.39 0.00 0.00 64.86 64.13 3kth h ILE 137 Cb 0.19 -0.04 0.01 0.00 -3.07 0.00 0.00 36.82 33.92 3kth h ILE 137 CO -0.02 0.17 -0.80 0.00 -0.69 0.00 0.00 178.15 176.81 3kth h ALA 138 N 1.47 0.22 -0.49 1.87 0.00 -0.71 -2.50 119.26 119.12 3kth h ALA 138 Ca 0.42 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3kth h ALA 138 Cb 0.34 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kth h ALA 138 CO -0.23 0.61 0.17 0.00 0.00 0.00 0.00 179.25 179.80 3kth h ALA 139 N 0.48 0.64 -0.80 0.00 0.00 0.00 -0.92 119.26 118.66 3kth h ALA 139 Ca -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3kth h ALA 139 Cb 1.45 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3kth h ALA 139 CO 0.16 0.28 0.42 0.87 0.00 0.00 0.00 179.25 180.98 3kth h LYS 140 N 0.66 1.12 0.70 0.00 1.57 -0.73 -2.13 116.57 117.76 3kth h LYS 140 Ca 0.16 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3kth h LYS 140 Cb 0.25 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.35 3kth h LYS 140 CO -0.01 0.83 -0.34 -0.09 -0.57 0.00 0.00 179.45 179.28 3kth h ARG 141 N 1.12 -0.90 -0.85 3.15 2.43 -1.01 -2.75 114.38 115.57 3kth h ARG 141 Ca 0.28 0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.68 3kth h ARG 141 Cb 0.05 0.21 -0.10 0.00 -0.42 0.00 0.00 29.97 29.70 3kth h ARG 141 CO -0.04 -0.60 0.40 0.97 -1.51 0.00 0.00 179.97 179.19 3kth h ILE 142 N -1.19 0.64 -0.79 1.20 2.10 -1.17 -0.22 117.51 118.08 3kth h ILE 142 Ca -0.10 -0.18 0.05 0.00 1.08 0.00 0.00 64.86 65.71 3kth h ILE 142 Cb 0.72 0.06 -0.06 0.00 -1.09 0.00 0.00 36.82 36.46 3kth h ILE 142 CO 0.16 0.10 0.49 -0.07 -1.08 0.00 0.00 178.15 177.74 3kth h LEU 143 N 0.53 0.77 -0.41 2.19 3.38 -1.39 0.25 115.31 120.62 3kth h LEU 143 Ca 0.49 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.39 3kth h LEU 143 Cb 0.77 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3kth h LEU 143 CO -0.42 0.51 -0.04 -0.07 0.09 0.00 0.00 178.44 178.51 3kth h LEU 144 N 0.91 0.75 -0.37 1.67 3.38 -0.83 -1.10 115.31 119.72 3kth h LEU 144 Ca 0.34 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3kth h LEU 144 Cb 0.12 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3kth h LEU 144 CO -0.15 0.90 0.09 -0.07 0.09 0.00 0.00 178.44 179.30 3kth h LEU 145 N 0.58 0.06 0.14 1.67 3.38 0.00 0.65 115.31 121.80 3kth h LEU 145 Ca 0.11 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3kth h LEU 145 Cb 0.54 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3kth h LEU 145 CO 0.03 0.07 -0.27 -0.09 0.09 0.00 0.00 178.44 178.27 3kth h ARG 146 N 0.23 -0.48 -0.50 1.13 2.43 -0.31 0.01 114.38 116.89 3kth h ARG 146 Ca 0.18 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.45 3kth h ARG 146 Cb 0.19 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 3kth h ARG 146 CO -0.21 -0.32 0.17 0.22 -1.51 0.00 0.00 179.97 178.32 3kth h ASP 147 N -0.50 0.17 0.08 -3.80 3.58 -0.45 -0.07 116.42 115.43 3kth h ASP 147 Ca 0.02 0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.55 3kth h ASP 147 Cb 0.51 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.59 3kth h ASP 147 CO -0.14 0.12 -0.17 0.50 -2.88 0.00 0.00 179.24 176.67 3kth h LYS 148 N 0.35 -0.32 -0.15 0.28 3.64 0.83 -2.15 116.57 119.05 3kth h LYS 148 Ca 0.24 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3kth h LYS 148 Cb 0.27 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3kth h LYS 148 CO -0.25 -0.21 0.10 -0.07 -2.27 0.00 0.00 179.45 176.75 3kth h LEU 149 N -0.33 0.18 -0.75 5.20 3.38 -0.60 -2.64 115.31 119.75 3kth h LEU 149 Ca 0.03 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.14 3kth h LEU 149 Cb 0.36 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 3kth h LEU 149 CO -0.11 0.14 0.27 0.78 0.09 0.00 0.00 178.44 179.61 3kth h ASN 150 N 0.20 0.22 -0.48 -0.43 2.35 -0.85 0.29 115.58 116.88 3kth h ASN 150 Ca 0.06 0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3kth h ASN 150 Cb -0.02 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 3kth h ASN 150 CO -0.01 0.07 0.31 0.11 -1.65 0.00 0.00 177.43 176.26 3kth h LYS 151 N 0.40 0.61 -0.54 0.81 1.57 -1.11 0.15 116.57 118.46 3kth h LYS 151 Ca 0.41 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.19 3kth h LYS 151 Cb 0.65 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 3kth h LYS 151 CO -0.43 0.40 0.30 0.28 -0.57 0.00 0.00 179.45 179.44 3kth h VAL 152 N 0.63 1.01 -0.63 0.50 2.07 -0.68 -1.98 116.25 117.17 3kth h VAL 152 Ca 0.18 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kth h VAL 152 Cb -0.05 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3kth h VAL 152 CO -0.05 0.11 0.41 -0.07 0.02 0.00 0.00 177.57 177.98 3kth h LEU 153 N 0.59 0.69 -0.33 2.57 3.38 -0.33 -1.65 115.31 120.23 3kth h LEU 153 Ca 0.23 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.26 3kth h LEU 153 Cb 0.08 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 3kth h LEU 153 CO -0.13 0.49 -0.16 0.00 0.09 0.00 0.00 178.44 178.73 3kth h ALA 154 N 1.25 0.10 0.19 1.53 0.00 -0.26 0.24 119.26 122.30 3kth h ALA 154 Ca 0.24 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3kth h ALA 154 Cb -0.05 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kth h ALA 154 CO -0.07 -0.54 -0.14 0.93 0.00 0.00 0.00 179.25 179.43 3kth h GLU 155 N -0.11 -0.32 -0.81 0.00 5.08 -0.97 0.62 114.58 118.07 3kth h GLU 155 Ca 0.17 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3kth h GLU 155 Cb 0.37 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 3kth h GLU 155 CO -0.40 -0.21 0.54 0.00 -1.00 0.00 0.00 179.01 177.94 3kth h ARG 156 N -0.33 1.07 0.06 2.33 2.47 -0.74 -3.28 114.38 115.96 3kth h ARG 156 Ca -0.01 -0.06 -0.29 0.00 -1.26 0.00 0.00 59.98 58.35 3kth h ARG 156 Cb 0.29 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 3kth h ARG 156 CO -0.00 0.71 -1.58 1.79 0.56 0.00 0.00 179.97 181.44 3kth h THR 157 N 1.10 0.81 0.00 2.04 1.35 -0.37 -3.45 112.91 114.38 3kth h THR 157 Ca 0.30 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 3kth h THR 157 Cb -0.12 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3kth h THR 157 CO -0.07 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 3kth n GLY 158 N 1.70 1.74 3.75 5.82 0.00 0.22 -4.59 105.19 113.83 3kth n GLY 158 Ca -0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.38 2.88 0.41 1.61 -1.52 -1.23 -4.98 119.66 116.44 3kth s GLN 159 Ca 0.00 1.78 -0.23 0.00 -1.95 0.00 0.00 55.36 54.96 3kth s GLN 159 Cb 0.00 -1.92 -0.10 0.00 -0.22 0.00 0.00 33.01 30.77 3kth s GLN 159 CO 0.00 -1.27 0.99 -1.25 -0.25 0.00 0.00 175.29 173.51 3kth s PRO 160 N -3.45 4.22 0.27 2.91 0.04 -1.26 -4.55 135.00 133.17 3kth s PRO 160 Ca 0.76 1.31 -0.05 0.00 0.04 0.00 0.00 61.00 63.06 3kth s PRO 160 Cb -0.29 -2.40 0.51 0.00 0.04 0.00 0.00 34.50 32.36 3kth s PRO 160 CO 0.35 -0.06 1.60 1.25 0.04 0.00 0.00 177.00 180.18 3kth h LEU 161 N 2.29 -0.51 -0.85 -3.56 5.85 -1.93 0.75 115.31 117.35 3kth h LEU 161 Ca -0.48 0.24 0.21 0.00 0.84 0.00 0.00 57.88 58.68 3kth h LEU 161 Cb 1.20 0.44 -0.15 0.00 0.37 0.00 0.00 40.66 42.52 3kth h LEU 161 CO 0.62 -0.26 0.05 -0.33 -0.34 0.00 0.00 178.44 178.18 3kth h GLU 162 N 0.05 0.10 0.30 1.25 4.39 -1.99 0.15 114.58 118.83 3kth h GLU 162 Ca 0.47 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.15 3kth h GLU 162 Cb 0.84 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3kth h GLU 162 CO -0.80 0.06 -0.14 0.28 -1.16 0.00 0.00 179.01 177.25 3kth h VAL 163 N 0.10 0.73 -0.92 3.13 2.07 -1.22 -2.52 116.25 117.62 3kth h VAL 163 Ca 0.49 -0.42 0.17 0.00 0.82 0.00 0.00 66.70 67.75 3kth h VAL 163 Cb 0.93 0.96 -0.10 0.00 -1.52 0.00 0.00 31.29 31.55 3kth h VAL 163 CO -0.74 0.09 0.50 0.40 0.02 0.00 0.00 177.57 177.85 3kth h ILE 164 N -0.64 0.71 1.01 4.57 1.08 -0.93 0.19 117.51 123.50 3kth h ILE 164 Ca -0.04 -0.23 -0.05 0.00 -0.39 0.00 0.00 64.86 64.15 3kth h ILE 164 Cb 0.45 -0.02 0.01 0.00 -3.07 0.00 0.00 36.82 34.19 3kth h ILE 164 CO 0.07 0.12 -0.49 -0.33 -0.69 0.00 0.00 178.15 176.83 3kth h GLU 165 N 0.67 -1.31 -0.42 2.37 5.08 -0.91 -2.00 114.58 118.07 3kth h GLU 165 Ca 0.52 0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.95 3kth h GLU 165 Cb 0.77 0.30 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 3kth h GLU 165 CO -0.38 -0.87 0.21 -0.09 -1.00 0.00 0.00 179.01 176.87 3kth h ARG 166 N -1.36 0.58 0.00 2.33 2.43 -1.01 -2.80 114.38 114.56 3kth h ARG 166 Ca -0.14 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3kth h ARG 166 Cb 1.04 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3kth h ARG 166 CO 0.22 0.45 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.68 3kth h ASP 167 N 0.59 0.00 -0.37 -3.80 5.19 -0.52 -3.18 116.42 114.32 3kth h ASP 167 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3kth h ASP 167 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3kth h ASP 167 CO -0.02 0.02 0.00 0.35 -3.12 0.00 0.00 179.24 176.47 3kth n THR 168 N -3.11 1.86 -0.21 0.35 -2.24 -0.76 -4.56 114.28 105.61 3kth n THR 168 Ca 0.02 -1.48 0.02 0.00 -2.27 0.00 0.00 64.05 60.35 3kth n THR 168 Cb 0.41 0.03 0.27 0.00 -2.10 0.00 0.00 70.33 68.95 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 2.39 0.82 -5.21 3.42 1.82 -1.52 -0.30 116.42 117.83 3kth h ASP 169 Ca 0.00 -0.01 -0.12 0.00 -0.39 0.00 0.00 57.03 56.51 3kth h ASP 169 Cb 1.27 -0.19 -0.15 0.00 0.68 0.00 0.00 39.33 40.93 3kth h ASP 169 CO 0.18 0.57 -0.64 -0.13 -1.61 0.00 0.00 179.24 177.61 3kth s ARG 170 N -5.81 0.63 -0.32 0.28 0.52 -1.26 -4.70 118.95 108.29 3kth s ARG 170 Ca -0.11 -1.15 -0.43 0.00 -0.52 0.00 0.00 55.73 53.52 3kth s ARG 170 Cb 0.18 0.22 -0.19 0.00 0.52 0.00 0.00 34.95 35.68 3kth s ARG 170 CO 0.78 -0.13 1.36 -0.25 0.02 0.00 0.00 175.30 177.08 3kth n ASP 171 N 0.17 0.76 -4.08 0.23 8.00 -1.26 -4.81 116.55 115.56 3kth n ASP 171 Ca -0.15 1.13 -0.32 0.00 0.71 0.00 0.00 54.79 56.16 3kth n ASP 171 Cb 0.61 -0.86 -0.15 0.00 -0.02 0.00 0.00 41.12 40.70 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 1.90 4.52 -0.16 -2.24 3.04 -0.72 -5.02 114.94 116.26 3kth s ASN 172 Ca 0.96 -1.42 -0.13 0.00 0.04 0.00 0.00 52.86 52.31 3kth s ASN 172 Cb -1.36 -1.57 -0.05 0.00 -1.54 0.00 0.00 41.25 36.73 3kth s ASN 172 CO 0.70 -0.21 0.26 -0.36 -3.04 0.00 0.00 177.10 174.46 3kth s PHE 173 N 1.11 3.46 0.03 0.43 0.08 -1.26 -2.12 117.98 119.71 3kth s PHE 173 Ca -0.08 0.56 0.05 0.00 0.12 0.00 0.00 56.93 57.58 3kth s PHE 173 Cb -0.20 -2.30 -0.02 0.00 -0.57 0.00 0.00 43.02 39.93 3kth s PHE 173 CO -0.05 0.27 -0.16 0.15 -0.10 0.00 0.00 175.22 175.33 3kth s LYS 174 N 0.38 1.09 0.80 0.44 1.02 0.13 -5.01 119.74 118.59 3kth s LYS 174 Ca 0.15 -0.77 -0.10 0.00 0.02 0.00 0.00 55.97 55.28 3kth s LYS 174 Cb -0.13 -1.12 0.11 0.00 -0.52 0.00 0.00 37.83 36.17 3kth s LYS 174 CO 0.03 0.29 1.13 -1.54 -0.92 0.00 0.00 175.35 174.34 3kth s SER 175 N -1.02 4.26 0.15 2.83 1.04 -1.26 -1.05 113.70 118.65 3kth s SER 175 Ca 0.04 0.41 -0.18 0.00 0.48 0.00 0.00 55.95 56.70 3kth s SER 175 Cb -0.08 -0.84 0.05 0.00 0.10 0.00 0.00 66.02 65.26 3kth s SER 175 CO 0.01 -1.99 1.69 0.00 0.98 0.00 0.00 173.24 173.94 3kth h ALA 176 N -0.97 0.25 -0.13 5.32 0.00 -1.79 0.33 119.26 122.27 3kth h ALA 176 Ca -0.44 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kth h ALA 176 Cb 1.29 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3kth h ALA 176 CO 0.54 -0.44 0.07 0.93 0.00 0.00 0.00 179.25 180.35 3kth h GLU 177 N 0.04 0.18 -0.64 0.00 3.07 -1.92 0.21 114.58 115.53 3kth h GLU 177 Ca 0.15 -0.02 0.10 0.00 -0.50 0.00 0.00 59.36 59.09 3kth h GLU 177 Cb 0.22 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 3kth h GLU 177 CO -0.30 0.23 0.43 0.93 -1.40 0.00 0.00 179.01 178.90 3kth h GLU 178 N 0.09 0.43 -0.28 2.33 5.08 -1.77 0.22 114.58 120.68 3kth h GLU 178 Ca 0.04 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.19 3kth h GLU 178 Cb 0.10 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kth h GLU 178 CO -0.01 0.28 -0.58 0.00 -1.00 0.00 0.00 179.01 177.71 3kth h ALA 179 N 1.68 0.45 -0.12 3.43 0.00 0.59 -1.71 119.26 123.58 3kth h ALA 179 Ca 0.30 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3kth h ALA 179 Cb 0.57 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kth h ALA 179 CO -0.09 0.68 0.05 1.25 0.00 0.00 0.00 179.25 181.15 3kth h LEU 180 N 0.66 0.17 -0.88 0.00 5.85 0.18 -2.13 115.31 119.16 3kth h LEU 180 Ca 0.01 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3kth h LEU 180 Cb 1.19 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 3kth h LEU 180 CO 0.13 0.28 0.56 -0.33 -0.34 0.00 0.00 178.44 178.73 3kth h GLU 181 N 0.05 1.01 0.00 1.25 5.08 -0.65 -2.30 114.58 119.02 3kth h GLU 181 Ca 0.04 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3kth h GLU 181 Cb 0.16 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3kth h GLU 181 CO -0.00 0.67 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.47 3kth h TYR 182 N 1.04 0.00 0.00 4.33 3.20 -1.11 -3.46 116.97 120.96 3kth h TYR 182 Ca 0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.24 3kth h TYR 182 Cb 0.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3kth h TYR 182 CO -0.02 0.28 0.00 0.41 -1.64 0.00 0.00 178.16 177.19 3kth n GLY 183 N -0.34 1.23 0.15 1.82 0.00 -0.86 -4.65 105.19 102.53 3kth n GLY 183 Ca -0.01 0.00 -0.24 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 0.70 -9.74 0.99 3.38 -1.60 -3.35 115.31 105.68 3kth h LEU 184 Ca 0.00 -0.93 -0.62 0.00 0.09 0.00 0.00 57.88 56.42 3kth h LEU 184 Cb 0.00 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 40.40 3kth h LEU 184 CO 0.00 1.76 -0.57 0.27 0.09 0.00 0.00 178.44 179.99 3kth s ILE 185 N -2.58 2.02 -0.13 1.22 -4.36 -1.23 -4.33 121.20 111.81 3kth s ILE 185 Ca -0.14 -1.93 0.05 0.00 -0.26 0.00 0.00 60.65 58.37 3kth s ILE 185 Cb 0.05 -2.95 -0.11 0.00 1.25 0.00 0.00 42.46 40.70 3kth s ILE 185 CO 0.88 0.00 -0.06 0.47 0.24 0.00 0.00 174.94 176.47 3kth n ASP 186 N -1.05 2.59 -3.71 4.36 8.00 0.11 -4.65 116.55 122.20 3kth n ASP 186 Ca -0.05 -0.05 -0.12 0.00 0.71 0.00 0.00 54.79 55.28 3kth n ASP 186 Cb 0.66 0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.87 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 -2.29 0.85 -0.21 -1.24 2.20 -1.24 -5.05 119.74 112.76 3kth s LYS 187 Ca -0.14 -0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 55.02 3kth s LYS 187 Cb 0.04 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.71 3kth s LYS 187 CO 0.39 -0.28 0.03 0.42 -0.36 0.00 0.00 175.35 175.55 3kth s ILE 188 N -2.34 4.16 0.00 5.43 1.01 -1.26 -2.84 121.20 125.36 3kth s ILE 188 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3kth s ILE 188 Cb -0.01 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.56 3kth s ILE 188 CO -0.02 0.41 0.00 0.18 0.00 0.00 0.00 174.94 175.51 3kth n LEU 189 N 4.32 0.00 0.00 2.97 4.77 -0.67 -4.95 117.00 123.44 3kth n LEU 189 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3kth n LEU 189 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3kth n LEU 189 CO 0.32 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.79 3kth n THR 190 N 0.00 0.00 -3.94 -5.08 -1.04 -1.26 -4.96 114.28 97.99 3kth n THR 190 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 3kth n THR 190 Cb 0.00 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.35 3kth n THR 190 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3kth s HIS 191 N 0.00 1.95 0.00 -1.42 3.76 -1.26 -5.10 115.29 113.22 3kth s HIS 191 Ca 0.00 -1.20 0.00 0.00 -0.15 0.00 0.00 55.06 53.71 3kth s HIS 191 Cb 0.00 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.25 3kth s HIS 191 CO 0.00 -0.65 0.00 1.28 -0.85 0.00 0.00 174.74 174.52 3kth n LEU 192 N 4.81 0.00 0.00 0.89 7.99 -1.26 -5.25 117.00 124.18 3kth n LEU 192 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.86 3kth n LEU 192 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 3kth n LEU 192 CO 0.18 0.00 0.00 -0.62 -1.51 0.00 0.00 177.39 175.44