#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 4.52 -1.08 0.00 0.04 -1.26 -4.85 135.00 132.36 3kth s PRO 4 Ca 0.00 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.58 3kth s PRO 4 Cb 0.00 -3.31 0.09 0.00 0.04 0.00 0.00 34.50 31.32 3kth s PRO 4 CO 0.00 -0.08 1.43 0.95 0.04 0.00 0.00 177.00 179.34 3kth s THR 5 N 0.36 4.30 -1.66 1.26 -4.23 -1.26 -2.11 115.64 112.29 3kth s THR 5 Ca 0.54 -1.44 0.31 0.00 -1.18 0.00 0.00 61.69 59.92 3kth s THR 5 Cb -0.29 -5.00 0.67 0.00 1.34 0.00 0.00 72.50 69.22 3kth s THR 5 CO 0.32 -1.81 2.12 1.33 -0.54 0.00 0.00 174.62 176.04 3kth n VAL 6 N 6.16 0.00 -0.05 2.29 0.24 -1.26 -4.55 118.33 121.16 3kth n VAL 6 Ca 0.35 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.64 3kth n VAL 6 Cb 0.48 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3kth n VAL 6 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kth n TYR 17 N -1.16 0.00 -0.91 6.34 4.19 -1.26 -5.05 117.16 119.32 3kth n TYR 17 Ca 0.18 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.39 3kth n TYR 17 Cb 0.19 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.02 3kth n TYR 17 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 3kth n ASP 18 N 0.00 -5.63 0.03 2.98 2.03 -1.26 -4.29 116.55 110.42 3kth n ASP 18 Ca 0.00 0.66 -0.12 0.00 0.52 0.00 0.00 54.79 55.84 3kth n ASP 18 Cb 0.00 -1.95 -0.08 0.00 -0.72 0.00 0.00 41.12 38.37 3kth n ASP 18 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3kth h ILE 19 N 1.46 1.12 -0.46 5.18 1.08 -1.75 -2.52 117.51 121.62 3kth h ILE 19 Ca 0.00 -0.42 0.03 0.00 -0.39 0.00 0.00 64.86 64.08 3kth h ILE 19 Cb 0.00 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 35.13 3kth h ILE 19 CO 0.00 0.11 0.31 1.88 -0.69 0.00 0.00 178.15 179.76 3kth h TYR 20 N -0.21 0.48 -0.21 1.37 0.05 -1.89 -1.38 116.97 115.18 3kth h TYR 20 Ca -0.00 0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.66 3kth h TYR 20 Cb 0.20 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.78 3kth h TYR 20 CO -0.01 0.28 -0.38 0.77 -1.05 0.00 0.00 178.16 177.76 3kth h SER 21 N 0.49 0.69 -0.36 3.88 0.02 -1.76 -2.14 113.55 114.39 3kth h SER 21 Ca 0.19 -0.54 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 3kth h SER 21 Cb 0.14 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3kth h SER 21 CO -0.05 1.11 0.10 -0.09 -1.14 0.00 0.00 176.83 176.76 3kth h ARG 22 N 0.31 0.65 -0.00 3.45 9.65 -0.97 -1.04 114.38 126.43 3kth h ARG 22 Ca 0.01 -0.12 -0.09 0.00 -1.10 0.00 0.00 59.98 58.69 3kth h ARG 22 Cb 0.98 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 3kth h ARG 22 CO 0.09 0.60 -0.41 1.25 2.80 0.00 0.00 179.97 184.29 3kth h LEU 23 N 0.63 0.00 -1.22 3.80 5.85 -1.17 -1.77 115.31 121.43 3kth h LEU 23 Ca 0.14 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3kth h LEU 23 Cb 0.25 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3kth h LEU 23 CO -0.00 0.41 -0.33 0.25 -0.34 0.00 0.00 178.44 178.43 3kth h LEU 24 N 0.00 0.00 -1.63 2.25 5.85 -0.51 -2.47 115.31 118.80 3kth h LEU 24 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kth h LEU 24 Cb 0.73 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3kth h LEU 24 CO 0.05 0.33 0.11 0.50 -0.34 0.00 0.00 178.44 179.09 3kth h LYS 25 N 0.00 0.35 -0.71 1.25 3.64 -0.82 0.89 116.57 121.17 3kth h LYS 25 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3kth h LYS 25 Cb 0.72 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3kth h LYS 25 CO 0.04 0.29 0.00 -0.25 -2.27 0.00 0.00 179.45 177.26 3kth n ASP 26 N -4.44 4.05 -2.97 4.20 10.43 -0.97 -4.90 116.55 121.95 3kth n ASP 26 Ca 0.01 -2.58 -0.14 0.00 2.57 0.00 0.00 54.79 54.64 3kth n ASP 26 Cb 0.12 -0.61 0.07 0.00 1.84 0.00 0.00 41.12 42.54 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 0.44 -5.49 -4.44 -1.24 1.74 0.31 -4.93 116.66 103.05 3kth n ARG 27 Ca 0.18 0.69 -0.27 0.00 -0.77 0.00 0.00 57.85 57.68 3kth n ARG 27 Cb 0.85 -5.23 -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 -3.29 1.30 -0.13 0.55 1.01 -0.97 -2.14 121.20 117.52 3kth s ILE 28 Ca 0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 3kth s ILE 28 Cb -0.02 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 3kth s ILE 28 CO 0.59 0.40 -0.06 -0.63 0.00 0.00 0.00 174.94 175.24 3kth s ILE 29 N 0.95 3.70 -0.27 2.92 1.01 0.23 -3.49 121.20 126.26 3kth s ILE 29 Ca -0.08 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 3kth s ILE 29 Cb -0.15 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 3kth s ILE 29 CO -0.00 0.52 0.06 -0.04 0.00 0.00 0.00 174.94 175.48 3kth s MET 30 N 0.11 3.36 -0.40 2.79 -1.94 -1.26 -1.45 119.30 120.50 3kth s MET 30 Ca -0.02 -0.67 -0.04 0.00 -1.71 0.00 0.00 55.69 53.25 3kth s MET 30 Cb -0.14 -3.30 0.10 0.00 2.01 0.00 0.00 34.83 33.50 3kth s MET 30 CO 0.03 -0.30 0.20 -1.17 -0.01 0.00 0.00 175.02 173.77 3kth s LEU 31 N 1.54 5.12 -0.40 -0.03 2.96 -0.78 -4.96 118.68 122.15 3kth s LEU 31 Ca 0.05 -1.84 0.11 0.00 -0.22 0.00 0.00 54.13 52.22 3kth s LEU 31 Cb -0.16 -1.86 0.42 0.00 0.50 0.00 0.00 46.19 45.10 3kth s LEU 31 CO 0.02 -0.53 1.01 0.61 -1.32 0.00 0.00 176.35 176.14 3kth n GLY 32 N 4.68 3.98 3.84 7.98 0.00 -1.26 -1.25 105.19 123.17 3kth n GLY 32 Ca -0.05 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 43.82 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 -3.28 -0.03 0.91 1.61 1.04 -1.21 -4.94 113.70 107.81 3kth s SER 33 Ca 0.39 -0.82 -0.11 0.00 0.48 0.00 0.00 55.95 55.89 3kth s SER 33 Cb 0.41 0.64 0.14 0.00 0.10 0.00 0.00 66.02 67.32 3kth s SER 33 CO -0.08 -1.26 1.10 0.00 0.98 0.00 0.00 173.24 173.97 3kth s ALA 34 N -2.42 1.38 -0.32 5.32 0.00 -1.26 -4.41 121.76 120.05 3kth s ALA 34 Ca 0.18 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.30 3kth s ALA 34 Cb -0.04 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.78 3kth s ALA 34 CO 0.07 -2.60 0.14 0.42 0.00 0.00 0.00 175.76 173.79 3kth s ILE 35 N -2.75 4.35 0.22 0.00 1.01 0.34 -4.87 121.20 119.50 3kth s ILE 35 Ca 0.65 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.67 3kth s ILE 35 Cb -0.21 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 3kth s ILE 35 CO 0.58 -0.01 0.06 1.51 0.00 0.00 0.00 174.94 177.08 3kth s ASP 36 N 1.55 1.16 0.30 3.58 3.84 -1.26 -0.24 116.67 125.59 3kth s ASP 36 Ca 0.03 -1.30 0.11 0.00 -0.00 0.00 0.00 52.55 51.39 3kth s ASP 36 Cb -0.18 0.15 0.95 0.00 -1.38 0.00 0.00 42.92 42.47 3kth s ASP 36 CO 0.05 -0.67 1.35 0.47 -0.00 0.00 0.00 175.17 176.36 3kth n ASP 37 N -0.37 0.14 0.13 2.11 10.43 -1.26 -0.93 116.55 126.80 3kth n ASP 37 Ca -0.02 1.43 -0.13 0.00 2.57 0.00 0.00 54.79 58.64 3kth n ASP 37 Cb 0.65 -0.63 -0.08 0.00 1.84 0.00 0.00 41.12 42.90 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 -0.30 -0.87 -2.24 -0.73 -1.99 -1.53 115.58 107.92 3kth h ASN 38 Ca 0.64 -0.21 0.04 0.00 1.87 0.00 0.00 56.30 58.64 3kth h ASN 38 Cb 1.58 0.08 -0.05 0.00 0.27 0.00 0.00 38.32 40.19 3kth h ASN 38 CO -0.72 0.08 0.56 0.58 -0.37 0.00 0.00 177.43 177.57 3kth h VAL 39 N -0.73 1.13 -0.15 2.57 2.07 -1.37 -1.68 116.25 118.11 3kth h VAL 39 Ca -0.04 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3kth h VAL 39 Cb 0.49 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3kth h VAL 39 CO 0.06 0.20 0.08 0.00 0.02 0.00 0.00 177.57 177.93 3kth h ALA 40 N 1.36 0.18 -0.91 1.67 0.00 -1.05 -0.93 119.26 119.59 3kth h ALA 40 Ca 0.35 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.34 3kth h ALA 40 Cb 0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3kth h ALA 40 CO -0.12 -0.35 0.59 -0.97 0.00 0.00 0.00 179.25 178.39 3kth h ASN 41 N 0.17 0.86 0.26 0.00 -0.00 -0.62 0.18 115.58 116.43 3kth h ASN 41 Ca 0.06 0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.36 3kth h ASN 41 Cb -0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 38.32 38.16 3kth h ASN 41 CO -0.03 0.52 -0.12 -1.28 -0.00 0.00 0.00 177.43 176.51 3kth h SER 42 N 0.95 -0.30 -1.01 1.15 0.87 -0.71 -2.04 113.55 112.47 3kth h SER 42 Ca 0.41 -0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 3kth h SER 42 Cb 0.33 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.31 3kth h SER 42 CO -0.17 0.12 0.66 0.40 -0.53 0.00 0.00 176.83 177.31 3kth h ILE 43 N -0.78 1.18 -0.39 2.23 2.04 -0.87 0.62 117.51 121.55 3kth h ILE 43 Ca -0.04 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3kth h ILE 43 Cb 0.50 -0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3kth h ILE 43 CO 0.06 0.23 0.20 0.58 0.00 0.00 0.00 178.15 179.23 3kth h VAL 44 N 1.28 1.16 -0.98 1.67 2.07 -0.68 0.10 116.25 120.87 3kth h VAL 44 Ca 0.40 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3kth h VAL 44 Cb -0.01 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3kth h VAL 44 CO -0.12 0.16 0.64 0.28 0.02 0.00 0.00 177.57 178.55 3kth h SER 45 N 0.49 1.07 -0.45 0.57 0.02 -0.51 0.13 113.55 114.87 3kth h SER 45 Ca 0.14 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3kth h SER 45 Cb 0.08 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3kth h SER 45 CO -0.02 0.73 0.06 1.56 -1.14 0.00 0.00 176.83 178.03 3kth h GLN 46 N 1.24 0.75 0.03 3.45 4.20 -0.30 -1.01 115.11 123.48 3kth h GLN 46 Ca 0.39 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 3kth h GLN 46 Cb -0.00 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3kth h GLN 46 CO -0.12 0.78 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.73 3kth h LEU 47 N 0.62 -0.03 -0.70 1.46 3.38 -0.28 -0.93 115.31 118.82 3kth h LEU 47 Ca 0.14 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.13 3kth h LEU 47 Cb 0.40 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 3kth h LEU 47 CO 0.01 0.04 0.37 -0.07 0.09 0.00 0.00 178.44 178.88 3kth h LEU 48 N -0.10 0.51 0.08 1.67 3.38 -0.62 -1.43 115.31 118.80 3kth h LEU 48 Ca -0.00 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kth h LEU 48 Cb 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3kth h LEU 48 CO 0.01 0.31 -0.04 0.15 0.09 0.00 0.00 178.44 178.96 3kth h PHE 49 N 0.65 -0.09 -0.83 1.13 3.57 -0.91 -2.39 116.94 118.05 3kth h PHE 49 Ca 0.34 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.89 3kth h PHE 49 Cb 0.30 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 3kth h PHE 49 CO -0.09 -0.04 0.54 -0.07 -2.23 0.00 0.00 178.31 176.42 3kth h LEU 50 N -0.12 0.83 -1.61 0.59 3.38 -0.75 -1.16 115.31 116.47 3kth h LEU 50 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3kth h LEU 50 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3kth h LEU 50 CO 0.02 0.54 -0.19 0.00 0.09 0.00 0.00 178.44 178.90 3kth h ALA 51 N 1.54 1.26 0.00 1.53 0.00 -0.94 -2.45 119.26 120.20 3kth h ALA 51 Ca 0.35 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 3kth h ALA 51 Cb 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3kth h ALA 51 CO -0.12 0.24 -1.05 0.00 0.00 0.00 0.00 179.25 178.33 3kth h ALA 52 N 1.81 0.43 -0.11 0.00 0.00 -0.73 -2.92 119.26 117.74 3kth h ALA 52 Ca -0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 54.91 53.78 3kth h ALA 52 Cb 0.48 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kth h ALA 52 CO 0.03 1.23 -0.71 0.93 0.00 0.00 0.00 179.25 180.72 3kth h GLU 53 N 0.00 0.51 -0.56 0.00 4.39 -0.95 -3.43 114.58 114.54 3kth h GLU 53 Ca -0.04 -0.40 0.07 0.00 0.34 0.00 0.00 59.36 59.33 3kth h GLU 53 Cb 1.76 0.08 -0.19 0.00 -0.10 0.00 0.00 28.75 30.31 3kth h GLU 53 CO 0.12 1.03 -0.23 0.34 -1.16 0.00 0.00 179.01 179.10 3kth s ASP 54 N -6.99 -0.88 0.00 1.42 -1.08 -1.05 -5.01 116.67 103.08 3kth s ASP 54 Ca -0.07 -0.28 0.10 0.00 -0.52 0.00 0.00 52.55 51.78 3kth s ASP 54 Cb 0.10 1.24 0.59 0.00 -1.46 0.00 0.00 42.92 43.39 3kth s ASP 54 CO 0.85 -0.12 1.01 -0.81 0.52 0.00 0.00 175.17 176.63 3kth n PRO 55 N 4.36 0.39 -0.10 4.34 -0.04 -1.10 -3.01 135.00 139.84 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 -2.12 0.54 -0.58 -1.26 -3.25 120.64 113.70 3kth n GLU 56 Ca 0.07 0.33 -0.38 0.00 -0.42 0.00 0.00 57.16 56.77 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 -2.48 3.65 0.78 3.49 1.02 -1.16 -4.79 119.74 120.25 3kth s LYS 57 Ca -0.33 1.93 -0.11 0.00 0.02 0.00 0.00 55.97 57.48 3kth s LYS 57 Cb 0.10 -2.43 0.06 0.00 -0.52 0.00 0.00 37.83 35.04 3kth s LYS 57 CO 0.59 -0.68 1.11 -2.00 -0.92 0.00 0.00 175.35 173.44 3kth s GLU 58 N -2.67 2.10 -0.00 1.68 2.12 -1.26 -4.51 118.70 116.16 3kth s GLU 58 Ca 0.64 1.29 0.04 0.00 0.36 0.00 0.00 54.97 57.31 3kth s GLU 58 Cb -0.33 -1.87 -0.01 0.00 0.26 0.00 0.00 34.13 32.18 3kth s GLU 58 CO 0.40 -1.78 -0.13 0.42 -0.54 0.00 0.00 175.26 173.62 3kth s ILE 59 N -2.74 1.06 -0.15 -3.70 1.01 -0.66 -4.94 121.20 111.09 3kth s ILE 59 Ca 0.63 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.65 3kth s ILE 59 Cb -0.19 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 3kth s ILE 59 CO 0.54 0.26 -0.14 -0.44 0.00 0.00 0.00 174.94 175.16 3kth s SER 60 N -0.43 3.85 -0.47 3.58 0.01 -0.91 0.80 113.70 120.12 3kth s SER 60 Ca 0.05 -0.40 -0.00 0.00 1.31 0.00 0.00 55.95 56.90 3kth s SER 60 Cb -0.06 -1.59 0.13 0.00 0.21 0.00 0.00 66.02 64.71 3kth s SER 60 CO -0.00 0.12 0.25 -0.22 0.41 0.00 0.00 173.24 173.79 3kth s LEU 61 N 0.62 5.00 0.32 2.44 2.96 0.13 -0.60 118.68 129.54 3kth s LEU 61 Ca -0.08 -2.45 -0.29 0.00 -0.22 0.00 0.00 54.13 51.10 3kth s LEU 61 Cb -0.16 -1.76 -0.10 0.00 0.50 0.00 0.00 46.19 44.67 3kth s LEU 61 CO 0.03 -0.41 1.22 -0.31 -1.32 0.00 0.00 176.35 175.55 3kth s TYR 62 N 0.52 3.25 -0.09 5.38 1.51 -0.53 -2.43 117.35 124.97 3kth s TYR 62 Ca 0.13 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.72 3kth s TYR 62 Cb -0.22 -3.51 0.02 0.00 -0.11 0.00 0.00 41.96 38.14 3kth s TYR 62 CO -0.04 -1.32 -0.07 0.42 -1.11 0.00 0.00 175.55 173.43 3kth s ILE 63 N -1.17 0.87 -0.42 2.71 1.01 0.62 -1.86 121.20 122.96 3kth s ILE 63 Ca 0.48 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.94 3kth s ILE 63 Cb -0.36 -0.89 0.17 0.00 0.01 0.00 0.00 42.46 41.38 3kth s ILE 63 CO 0.47 0.33 0.40 0.21 0.00 0.00 0.00 174.94 176.35 3kth s ASN 64 N 1.48 1.02 0.03 3.58 2.47 -0.38 -0.84 114.94 122.30 3kth s ASN 64 Ca -0.00 -2.59 0.01 0.00 0.42 0.00 0.00 52.86 50.70 3kth s ASN 64 Cb -0.13 0.09 -0.02 0.00 -1.45 0.00 0.00 41.25 39.74 3kth s ASN 64 CO -0.05 -0.17 -0.06 -0.55 -3.72 0.00 0.00 177.10 172.56 3kth s SER 65 N 0.45 0.59 0.00 -4.21 0.15 0.78 -3.33 113.70 108.13 3kth s SER 65 Ca 0.29 -0.45 0.30 0.00 0.70 0.00 0.00 55.95 56.79 3kth s SER 65 Cb -0.01 0.04 1.43 0.00 -1.71 0.00 0.00 66.02 65.76 3kth s SER 65 CO -0.13 -0.19 1.97 -0.81 1.20 0.00 0.00 173.24 175.28 3kth n PRO 66 N 1.76 0.79 0.00 5.44 -0.04 -1.26 -1.85 135.00 139.84 3kth n PRO 66 Ca -0.21 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 3kth n PRO 66 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 1.21 -0.48 0.00 0.55 0.00 -1.18 -4.44 105.19 100.85 3kth n GLY 67 Ca 0.17 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.66 3.73 -0.02 0.00 -1.26 -0.51 105.19 106.47 3kth n GLY 68 Ca 0.00 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 7.17 0.20 1.61 0.15 0.66 -4.77 113.70 114.72 3kth s SER 69 Ca 0.00 2.11 -0.10 0.00 0.70 0.00 0.00 55.95 58.66 3kth s SER 69 Cb 0.00 -2.60 0.21 0.00 -1.71 0.00 0.00 66.02 61.92 3kth s SER 69 CO 0.00 -0.33 1.81 0.40 1.20 0.00 0.00 173.24 176.32 3kth h ILE 70 N 3.94 0.98 -0.19 6.45 5.03 -1.96 -0.93 117.51 130.83 3kth h ILE 70 Ca -0.44 -0.22 -0.05 0.00 -0.12 0.00 0.00 64.86 64.03 3kth h ILE 70 Cb 1.21 0.27 -0.01 0.00 -3.03 0.00 0.00 36.82 35.27 3kth h ILE 70 CO 0.75 0.12 -0.06 0.71 -0.68 0.00 0.00 178.15 178.99 3kth h THR 71 N 0.65 1.30 -0.97 -0.27 1.35 -1.98 -1.74 112.91 111.24 3kth h THR 71 Ca 0.28 -1.07 0.12 0.00 -0.55 0.00 0.00 66.41 65.19 3kth h THR 71 Cb 0.16 1.61 -0.08 0.00 -1.73 0.00 0.00 68.15 68.11 3kth h THR 71 CO -0.17 0.32 0.61 0.00 -0.25 0.00 0.00 175.52 176.04 3kth h ALA 72 N 0.71 1.59 0.47 6.62 0.00 -1.85 -0.79 119.26 126.01 3kth h ALA 72 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kth h ALA 72 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kth h ALA 72 CO 0.02 0.17 -0.22 0.78 0.00 0.00 0.00 179.25 180.00 3kth h GLY 73 N 0.93 -0.66 0.47 0.00 0.00 -0.91 -2.95 103.07 99.95 3kth h GLY 73 Ca 0.47 0.24 0.15 0.00 0.00 0.00 0.00 47.33 48.20 3kth h GLY 73 CO -0.24 -0.24 0.58 -0.33 0.00 0.00 0.00 176.54 176.31 3kth h MET 74 N -0.83 0.64 -0.13 4.80 2.86 -0.74 0.12 114.93 121.65 3kth h MET 74 Ca -0.06 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3kth h MET 74 Cb 0.57 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 3kth h MET 74 CO 0.11 0.42 -0.12 0.00 1.06 0.00 0.00 176.91 178.38 3kth h ALA 75 N 1.60 -0.03 0.34 6.32 0.00 -1.06 0.26 119.26 126.69 3kth h ALA 75 Ca 0.46 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 3kth h ALA 75 Cb 0.79 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3kth h ALA 75 CO -0.21 -0.57 -0.21 0.82 0.00 0.00 0.00 179.25 179.07 3kth h ILE 76 N -0.15 0.56 -0.02 0.00 1.08 -0.70 -1.66 117.51 116.62 3kth h ILE 76 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 3kth h ILE 76 Cb 0.28 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 34.58 3kth h ILE 76 CO -0.22 0.00 -0.02 0.22 -0.69 0.00 0.00 178.15 177.44 3kth h TYR 77 N -0.53 -0.06 -0.83 1.37 3.20 -0.44 0.49 116.97 120.16 3kth h TYR 77 Ca -0.03 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.03 3kth h TYR 77 Cb 0.44 0.03 -0.12 0.00 1.54 0.00 0.00 36.73 38.62 3kth h TYR 77 CO -0.09 -0.02 0.29 -0.44 -1.64 0.00 0.00 178.16 176.26 3kth h ASP 78 N -0.01 0.18 -0.87 -2.11 3.45 -0.51 0.25 116.42 116.80 3kth h ASP 78 Ca 0.00 0.15 0.04 0.00 0.43 0.00 0.00 57.03 57.65 3kth h ASP 78 Cb 0.02 0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 38.91 3kth h ASP 78 CO -0.02 -0.02 0.57 0.74 -1.57 0.00 0.00 179.24 178.94 3kth h THR 79 N 0.34 1.14 -0.29 0.35 2.02 -0.39 0.38 112.91 116.46 3kth h THR 79 Ca 0.50 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 3kth h THR 79 Cb 0.91 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3kth h THR 79 CO -0.53 0.20 0.12 0.24 0.37 0.00 0.00 175.52 175.92 3kth h MET 80 N 1.08 0.43 -0.02 6.66 2.86 0.17 -2.30 114.93 123.81 3kth h MET 80 Ca 0.35 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 57.78 3kth h MET 80 Cb 0.04 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3kth h MET 80 CO -0.11 0.45 -0.58 1.96 1.06 0.00 0.00 176.91 179.69 3kth h GLN 81 N 0.32 0.07 0.14 1.72 1.08 -0.82 -3.32 115.11 114.31 3kth h GLN 81 Ca 0.10 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3kth h GLN 81 Cb 0.18 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3kth h GLN 81 CO -0.01 0.63 -0.07 0.35 -0.95 0.00 0.00 178.83 178.79 3kth h PHE 82 N 0.06 -0.17 -4.19 2.96 3.57 -0.04 -3.45 116.94 115.67 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 1.04 0.06 0.16 0.00 2.79 0.00 0.00 35.95 40.00 3kth h PHE 82 CO 0.01 0.17 0.38 0.96 -2.23 0.00 0.00 178.31 177.59 3kth s ILE 83 N -4.73 2.35 0.04 1.41 -4.36 -0.88 -4.96 121.20 110.06 3kth s ILE 83 Ca -0.15 0.16 -0.24 0.00 -0.26 0.00 0.00 60.65 60.17 3kth s ILE 83 Cb 0.03 -2.69 -0.16 0.00 1.25 0.00 0.00 42.46 40.88 3kth s ILE 83 CO 0.61 -0.10 1.50 0.50 0.24 0.00 0.00 174.94 177.70 3kth h LYS 84 N -0.43 0.06 -6.82 0.37 1.63 -1.88 -3.45 116.57 106.06 3kth h LYS 84 Ca -0.47 -0.02 -0.56 0.00 -0.85 0.00 0.00 60.65 58.75 3kth h LYS 84 Cb 1.29 -0.01 0.18 0.00 -0.60 0.00 0.00 32.23 33.09 3kth h LYS 84 CO 0.49 0.30 -0.07 -2.30 -3.45 0.00 0.00 179.45 174.42 3kth n PRO 85 N -4.93 0.51 -3.28 1.90 -0.02 -1.20 -4.96 135.00 123.03 3kth n PRO 85 Ca -0.07 0.22 -0.39 0.00 -2.02 0.00 0.00 63.50 61.24 3kth n PRO 85 Cb 0.15 -2.06 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 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 -2.99 4.21 -0.31 -0.52 1.02 -1.26 -4.94 119.74 114.95 3kth s LYS 86 Ca 0.71 0.38 -0.17 0.00 0.02 0.00 0.00 55.97 56.92 3kth s LYS 86 Cb -0.36 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.39 3kth s LYS 86 CO 0.52 -0.08 0.46 0.08 -0.92 0.00 0.00 175.35 175.41 3kth s VAL 87 N 1.42 5.08 -0.05 3.17 1.01 -1.26 -1.65 120.40 128.13 3kth s VAL 87 Ca 0.23 0.46 -0.16 0.00 0.00 0.00 0.00 61.98 62.51 3kth s VAL 87 Cb -0.15 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 3kth s VAL 87 CO 0.09 -0.05 0.44 -0.55 0.00 0.00 0.00 175.10 175.03 3kth s SER 88 N 1.69 6.77 0.00 3.32 0.15 0.24 -0.72 113.70 125.14 3kth s SER 88 Ca 0.17 0.91 0.05 0.00 0.70 0.00 0.00 55.95 57.78 3kth s SER 88 Cb -0.16 -2.27 -0.03 0.00 -1.71 0.00 0.00 66.02 61.85 3kth s SER 88 CO 0.11 0.19 -0.14 0.42 1.20 0.00 0.00 173.24 175.03 3kth s THR 89 N -0.37 3.12 -0.19 6.45 -4.23 -1.03 0.17 115.64 119.55 3kth s THR 89 Ca 0.25 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 59.82 3kth s THR 89 Cb -0.16 -2.30 0.06 0.00 1.34 0.00 0.00 72.50 71.44 3kth s THR 89 CO 0.12 0.44 0.00 -0.63 -0.54 0.00 0.00 174.62 174.01 3kth s ILE 90 N -0.88 0.83 -0.43 2.99 1.09 -1.02 0.16 121.20 123.95 3kth s ILE 90 Ca 0.14 -0.68 -0.29 0.00 -1.10 0.00 0.00 60.65 58.72 3kth s ILE 90 Cb -0.11 -1.21 0.02 0.00 -1.06 0.00 0.00 42.46 40.10 3kth s ILE 90 CO 0.04 -0.11 1.21 0.00 -0.10 0.00 0.00 174.94 175.98 3kth s ILE 92 N 4.57 2.94 0.00 0.00 2.07 -0.02 -2.78 121.20 127.98 3kth s ILE 92 Ca 0.51 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.76 3kth s ILE 92 Cb -0.10 -2.49 0.00 0.00 0.13 0.00 0.00 42.46 40.00 3kth s ILE 92 CO 0.29 0.20 0.00 0.61 -1.91 0.00 0.00 174.94 174.13 3kth n GLY 93 N 4.68 2.13 3.49 1.50 0.00 -1.26 -4.04 105.19 111.69 3kth n GLY 93 Ca -0.16 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.21 1.61 -2.45 -1.26 -2.24 119.30 115.39 3kth s MET 94 Ca 0.00 0.92 -0.03 0.00 -1.25 0.00 0.00 55.69 55.33 3kth s MET 94 Cb 0.00 0.21 0.07 0.00 1.25 0.00 0.00 34.83 36.36 3kth s MET 94 CO 0.00 -0.12 0.06 0.00 1.05 0.00 0.00 175.02 176.01 3kth s ALA 95 N 0.88 0.95 0.29 4.11 0.00 -0.75 -0.15 121.76 127.09 3kth s ALA 95 Ca -0.05 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.19 3kth s ALA 95 Cb -0.05 -1.23 -0.06 0.00 0.00 0.00 0.00 23.12 21.78 3kth s ALA 95 CO -0.07 -1.27 -0.05 0.00 0.00 0.00 0.00 175.76 174.36 3kth s ALA 96 N 1.89 2.43 0.00 0.00 0.00 -0.77 -1.91 121.76 123.41 3kth s ALA 96 Ca 0.02 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.03 3kth s ALA 96 Cb -0.17 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3kth s ALA 96 CO -0.13 -0.07 0.00 0.45 0.00 0.00 0.00 175.76 176.02 3kth n SER 97 N -0.62 0.00 -0.38 0.00 2.88 -0.87 0.55 113.62 115.17 3kth n SER 97 Ca -0.05 0.00 0.31 0.00 -1.33 0.00 0.00 58.87 57.80 3kth n SER 97 Cb 0.64 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.71 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 0.19 -0.28 -1.46 2.07 -1.89 0.20 114.93 113.76 3kth h MET 98 Ca 0.00 -0.01 0.05 0.00 -2.07 0.00 0.00 59.70 57.67 3kth h MET 98 Cb 0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 31.60 29.64 3kth h MET 98 CO 0.00 0.13 -0.02 0.78 1.07 0.00 0.00 176.91 178.87 3kth h GLY 99 N 0.20 0.26 1.00 8.32 0.00 -0.18 0.29 103.07 112.95 3kth h GLY 99 Ca 0.68 0.05 0.01 0.00 0.00 0.00 0.00 47.33 48.07 3kth h GLY 99 CO -0.27 -0.07 0.30 0.00 0.00 0.00 0.00 176.54 176.49 3kth h ALA 100 N 1.25 0.58 -0.12 3.60 0.00 -0.39 -1.95 119.26 122.22 3kth h ALA 100 Ca 0.13 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3kth h ALA 100 Cb 0.19 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3kth h ALA 100 CO -0.24 0.02 -0.42 0.35 0.00 0.00 0.00 179.25 178.96 3kth h PHE 101 N 0.61 -1.20 -0.97 0.00 3.57 -0.56 -1.02 116.94 117.38 3kth h PHE 101 Ca 0.17 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.82 3kth h PHE 101 Cb -0.07 0.54 -0.07 0.00 2.79 0.00 0.00 35.95 39.14 3kth h PHE 101 CO -0.05 -0.48 0.62 -0.07 -2.23 0.00 0.00 178.31 176.11 3kth h LEU 102 N -0.50 0.92 -0.72 0.59 3.38 -0.26 -0.46 115.31 118.26 3kth h LEU 102 Ca 0.07 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3kth h LEU 102 Cb 0.63 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3kth h LEU 102 CO -0.39 0.52 0.43 0.25 0.09 0.00 0.00 178.44 179.34 3kth h LEU 103 N 1.00 0.67 -1.25 1.67 5.85 -0.44 -1.42 115.31 121.39 3kth h LEU 103 Ca 0.46 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.19 3kth h LEU 103 Cb 0.40 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3kth h LEU 103 CO -0.22 0.44 -0.02 0.00 -0.34 0.00 0.00 178.44 178.30 3kth h ALA 104 N 1.34 1.00 0.00 1.25 0.00 -0.13 -2.84 119.26 119.89 3kth h ALA 104 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kth h ALA 104 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kth h ALA 104 CO -0.16 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.12 3kth n ALA 105 N -2.10 2.15 -1.48 0.00 0.00 -0.54 -4.86 120.51 113.68 3kth n ALA 105 Ca 0.01 -0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 3kth n ALA 105 Cb 0.34 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.43 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 1.06 -0.27 3.65 0.00 0.00 -1.07 -4.77 105.19 103.78 3kth n GLY 106 Ca 0.05 -0.26 -0.56 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.66 1.16 -1.65 1.61 4.07 0.10 -4.77 120.64 119.50 3kth n GLU 107 Ca 0.14 0.41 -0.55 0.00 -0.06 0.00 0.00 57.16 57.10 3kth n GLU 107 Cb 0.49 -2.18 -0.07 0.00 -0.06 0.00 0.00 31.44 29.63 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 6.07 1.18 0.00 5.31 3.00 -1.26 -0.38 118.16 132.08 3kth n LYS 108 Ca 0.30 0.43 0.00 0.00 -0.00 0.00 0.00 58.31 59.04 3kth n LYS 108 Cb 0.15 -2.10 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 3.40 1.94 1.62 3.14 0.00 -1.26 -4.90 105.19 109.12 3kth n GLY 109 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.55 1.67 -3.51 1.61 5.02 0.48 -4.92 118.16 116.96 3kth n LYS 110 Ca 0.00 -3.20 -0.42 0.00 -2.02 0.00 0.00 58.31 52.67 3kth n LYS 110 Cb 0.00 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 33.59 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 -2.58 2.66 0.49 1.97 0.52 -1.25 -2.48 118.95 118.28 3kth s ARG 111 Ca 0.38 -1.90 0.08 0.00 -0.52 0.00 0.00 55.73 53.77 3kth s ARG 111 Cb 0.37 -4.01 0.03 0.00 0.52 0.00 0.00 34.95 31.87 3kth s ARG 111 CO -0.07 -1.22 0.58 0.71 0.02 0.00 0.00 175.30 175.32 3kth s TYR 112 N 1.15 2.13 -0.19 -0.53 1.51 0.12 0.33 117.35 121.87 3kth s TYR 112 Ca 0.08 -0.60 -0.27 0.00 -1.01 0.00 0.00 57.07 55.27 3kth s TYR 112 Cb -0.25 -2.21 0.07 0.00 -0.11 0.00 0.00 41.96 39.47 3kth s TYR 112 CO -0.01 -0.61 0.73 0.00 -1.11 0.00 0.00 175.55 174.54 3kth s ALA 113 N -2.55 -1.79 0.56 3.71 0.00 -1.11 -1.26 121.76 119.31 3kth s ALA 113 Ca 0.53 1.77 -0.09 0.00 0.00 0.00 0.00 51.96 54.17 3kth s ALA 113 Cb -0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 3kth s ALA 113 CO 0.32 -0.34 0.92 -0.51 0.00 0.00 0.00 175.76 176.15 3kth s LEU 114 N -0.20 3.42 0.10 0.00 1.43 -1.12 -1.86 118.68 120.45 3kth s LEU 114 Ca -0.04 1.21 -0.19 0.00 -1.03 0.00 0.00 54.13 54.09 3kth s LEU 114 Cb -0.03 -4.22 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 3kth s LEU 114 CO 0.04 -0.73 1.01 -2.65 0.23 0.00 0.00 176.35 174.24 3kth n PRO 115 N -2.49 -0.27 -0.63 1.29 -0.02 -1.26 -0.80 135.00 130.82 3kth n PRO 115 Ca 0.04 0.99 0.05 0.00 -2.02 0.00 0.00 63.50 62.56 3kth n PRO 115 Cb 0.54 -1.45 0.29 0.00 -0.02 0.00 0.00 33.50 32.86 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 -4.62 4.34 -4.65 2.55 4.13 -1.26 -4.50 115.26 111.25 3kth n ASN 116 Ca 0.01 -2.63 -0.30 0.00 1.68 0.00 0.00 54.58 53.34 3kth n ASN 116 Cb 0.16 -0.62 0.17 0.00 -1.54 0.00 0.00 39.78 37.95 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 -0.59 2.71 0.01 6.41 0.01 0.02 -4.80 113.70 117.45 3kth s SER 117 Ca 0.39 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.57 3kth s SER 117 Cb 0.29 -2.46 -0.01 0.00 0.21 0.00 0.00 66.02 64.06 3kth s SER 117 CO 0.12 -3.19 -0.02 -0.70 0.41 0.00 0.00 173.24 169.87 3kth s GLU 118 N -4.67 0.15 -0.03 12.44 2.12 -0.95 -3.39 118.70 124.38 3kth s GLU 118 Ca 0.66 -0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.82 3kth s GLU 118 Cb -0.22 -0.06 0.01 0.00 0.26 0.00 0.00 34.13 34.12 3kth s GLU 118 CO 0.59 0.01 -0.06 0.08 -0.54 0.00 0.00 175.26 175.34 3kth s VAL 119 N -0.37 0.58 -0.03 3.70 1.01 -0.08 -1.80 120.40 123.39 3kth s VAL 119 Ca -0.03 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3kth s VAL 119 Cb -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.81 3kth s VAL 119 CO -0.00 0.20 -0.10 -0.32 0.00 0.00 0.00 175.10 174.88 3kth s MET 120 N 0.40 1.12 0.17 2.72 0.00 -0.80 0.21 119.30 123.13 3kth s MET 120 Ca -0.05 -0.34 0.10 0.00 0.00 0.00 0.00 55.69 55.39 3kth s MET 120 Cb -0.09 -1.02 -0.04 0.00 0.00 0.00 0.00 34.83 33.67 3kth s MET 120 CO 0.00 0.11 -0.22 0.96 0.00 0.00 0.00 175.02 175.88 3kth s ILE 121 N 0.25 2.07 0.05 10.11 -4.36 -0.80 -2.06 121.20 126.47 3kth s ILE 121 Ca -0.05 -1.92 -0.28 0.00 -0.26 0.00 0.00 60.65 58.14 3kth s ILE 121 Cb -0.10 -1.95 0.09 0.00 1.25 0.00 0.00 42.46 41.76 3kth s ILE 121 CO 0.01 -0.18 1.07 -1.38 0.24 0.00 0.00 174.94 174.71 3kth s HIS 122 N -1.73 -0.13 0.61 1.37 -3.43 -1.26 -1.75 115.29 108.98 3kth s HIS 122 Ca 0.17 -0.07 -0.14 0.00 -0.80 0.00 0.00 55.06 54.22 3kth s HIS 122 Cb -0.07 0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 31.63 3kth s HIS 122 CO 0.08 -0.57 1.04 1.14 -2.00 0.00 0.00 174.74 174.43 3kth s GLN 123 N -2.93 3.38 0.59 -0.38 -2.07 -0.16 -4.93 119.66 113.15 3kth s GLN 123 Ca 0.12 1.01 -0.19 0.00 -1.82 0.00 0.00 55.36 54.47 3kth s GLN 123 Cb 0.01 -2.05 -0.05 0.00 -1.09 0.00 0.00 33.01 29.83 3kth s GLN 123 CO -0.02 -0.75 1.03 -2.30 -1.32 0.00 0.00 175.29 171.94 3kth n PRO 124 N -2.37 1.03 -4.53 9.60 -0.02 -1.26 -5.04 135.00 132.41 3kth n PRO 124 Ca 0.07 0.39 -0.30 0.00 -2.02 0.00 0.00 63.50 61.65 3kth n PRO 124 Cb 0.53 -2.23 -0.12 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.23 2.68 0.00 2.45 1.43 -1.26 -5.10 118.68 116.65 3kth s LEU 125 Ca 0.75 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3kth s LEU 125 Cb -0.42 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.24 3kth s LEU 125 CO 0.47 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.90 3kth n GLY 126 N 1.29 1.70 3.58 -3.19 0.00 -1.26 -5.03 105.19 102.29 3kth n GLY 126 Ca -0.16 -0.80 -0.14 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 -1.08 -0.47 0.22 -0.02 0.00 -1.26 -5.17 107.32 99.54 3kth s GLY 127 Ca 0.00 1.84 0.12 0.00 0.00 0.00 0.00 44.72 46.68 3kth s GLY 127 CO 0.00 1.36 -0.22 0.00 0.00 0.00 0.00 173.10 174.23 3kth s ALA 128 N -0.45 2.62 -0.30 3.20 0.00 -1.26 -5.05 121.76 120.52 3kth s ALA 128 Ca -0.04 -1.72 -0.12 0.00 0.00 0.00 0.00 51.96 50.07 3kth s ALA 128 Cb -0.02 -0.31 0.13 0.00 0.00 0.00 0.00 23.12 22.91 3kth s ALA 128 CO 0.04 0.38 0.74 -1.14 0.00 0.00 0.00 175.76 175.78 3kth s GLN 129 N -2.97 0.53 0.00 0.00 2.00 -1.26 -5.05 119.66 112.92 3kth s GLN 129 Ca 0.24 1.23 0.00 0.00 -2.00 0.00 0.00 55.36 54.83 3kth s GLN 129 Cb -0.07 0.62 0.00 0.00 0.80 0.00 0.00 33.01 34.36 3kth s GLN 129 CO 0.12 -0.16 0.00 0.41 -0.50 0.00 0.00 175.29 175.15 3kth n GLY 130 N 5.06 0.47 3.80 2.59 0.00 -1.26 -4.82 105.19 111.03 3kth n GLY 130 Ca -0.13 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.30 3.24 0.22 1.61 -0.21 -1.26 -4.79 119.66 117.18 3kth s GLN 131 Ca 0.00 1.26 -0.17 0.00 0.02 0.00 0.00 55.36 56.47 3kth s GLN 131 Cb 0.00 -2.02 0.24 0.00 1.00 0.00 0.00 33.01 32.23 3kth s GLN 131 CO 0.00 -0.88 1.57 0.00 -2.12 0.00 0.00 175.29 173.86 3kth h ALA 132 N 0.44 0.19 0.03 6.09 0.00 -1.99 0.98 119.26 125.00 3kth h ALA 132 Ca -0.47 0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3kth h ALA 132 Cb 1.23 0.87 -0.05 0.00 0.00 0.00 0.00 17.79 19.84 3kth h ALA 132 CO 0.57 -0.59 -0.47 1.15 0.00 0.00 0.00 179.25 179.91 3kth h THR 133 N -0.05 0.00 -0.89 0.00 2.02 -1.99 -0.51 112.91 111.50 3kth h THR 133 Ca 0.33 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.75 3kth h THR 133 Cb 0.59 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.87 3kth h THR 133 CO -0.88 0.00 0.29 -0.33 0.37 0.00 0.00 175.52 174.97 3kth h GLU 134 N -0.61 0.25 -0.54 6.66 5.08 -1.23 0.19 114.58 124.38 3kth h GLU 134 Ca 0.01 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 3kth h GLU 134 Cb 0.64 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3kth h GLU 134 CO -0.30 0.16 -0.05 0.82 -1.00 0.00 0.00 179.01 178.65 3kth h ILE 135 N 0.25 1.26 -0.53 3.13 2.04 -0.44 -1.92 117.51 121.31 3kth h ILE 135 Ca 0.56 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 3kth h ILE 135 Cb 1.14 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3kth h ILE 135 CO -0.62 0.42 0.13 -0.08 0.00 0.00 0.00 178.15 178.00 3kth h GLU 136 N 0.88 0.84 -0.74 2.37 4.81 0.87 0.26 114.58 123.88 3kth h GLU 136 Ca 0.15 -0.20 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 3kth h GLU 136 Cb 0.58 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 3kth h GLU 136 CO 0.04 0.80 0.38 0.82 -0.73 0.00 0.00 179.01 180.31 3kth h ILE 137 N 0.74 0.86 -0.16 2.32 1.08 -0.39 0.18 117.51 122.14 3kth h ILE 137 Ca 0.17 -0.22 -0.22 0.00 -0.39 0.00 0.00 64.86 64.19 3kth h ILE 137 Cb 0.33 0.16 0.01 0.00 -3.07 0.00 0.00 36.82 34.25 3kth h ILE 137 CO 0.00 0.12 -0.77 0.00 -0.69 0.00 0.00 178.15 176.81 3kth h ALA 138 N 1.44 0.31 -0.48 1.87 0.00 -0.89 -2.32 119.26 119.18 3kth h ALA 138 Ca 0.36 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3kth h ALA 138 Cb 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kth h ALA 138 CO -0.27 0.68 0.20 0.00 0.00 0.00 0.00 179.25 179.86 3kth h ALA 139 N 0.56 0.63 -0.86 0.00 0.00 0.23 -1.13 119.26 118.68 3kth h ALA 139 Ca -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kth h ALA 139 Cb 1.40 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3kth h ALA 139 CO 0.16 0.23 0.47 0.87 0.00 0.00 0.00 179.25 180.98 3kth h LYS 140 N 0.64 1.20 0.80 0.00 1.57 -0.68 -2.00 116.57 118.10 3kth h LYS 140 Ca 0.16 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3kth h LYS 140 Cb 0.19 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.27 3kth h LYS 140 CO -0.01 0.88 -0.38 -0.09 -0.57 0.00 0.00 179.45 179.27 3kth h ARG 141 N 1.20 -1.03 -0.70 3.15 2.43 -0.96 -2.72 114.38 115.75 3kth h ARG 141 Ca 0.30 0.07 0.13 0.00 -0.81 0.00 0.00 59.98 59.67 3kth h ARG 141 Cb 0.03 0.23 -0.09 0.00 -0.42 0.00 0.00 29.97 29.72 3kth h ARG 141 CO -0.05 -0.69 0.26 0.97 -1.51 0.00 0.00 179.97 178.95 3kth h ILE 142 N -1.28 0.67 -0.80 1.20 2.10 -1.19 -0.02 117.51 118.19 3kth h ILE 142 Ca -0.11 -0.14 0.09 0.00 1.08 0.00 0.00 64.86 65.78 3kth h ILE 142 Cb 0.82 0.23 -0.07 0.00 -1.09 0.00 0.00 36.82 36.72 3kth h ILE 142 CO 0.18 0.07 0.46 -0.07 -1.08 0.00 0.00 178.15 177.71 3kth h LEU 143 N 0.41 0.66 -0.43 2.19 3.38 -1.37 0.27 115.31 120.41 3kth h LEU 143 Ca 0.38 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.33 3kth h LEU 143 Cb 0.55 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3kth h LEU 143 CO -0.39 0.39 0.01 -0.07 0.09 0.00 0.00 178.44 178.47 3kth h LEU 144 N 0.78 0.74 -0.25 1.67 3.38 -0.80 -1.08 115.31 119.75 3kth h LEU 144 Ca 0.38 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3kth h LEU 144 Cb 0.32 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3kth h LEU 144 CO -0.23 0.85 -0.03 -0.07 0.09 0.00 0.00 178.44 179.05 3kth h LEU 145 N 0.60 -0.17 -0.02 1.67 3.38 0.37 0.86 115.31 121.99 3kth h LEU 145 Ca 0.12 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.19 3kth h LEU 145 Cb 0.47 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3kth h LEU 145 CO 0.02 -0.05 -0.22 -0.09 0.09 0.00 0.00 178.44 178.19 3kth h ARG 146 N 0.04 -0.32 -0.31 1.13 2.43 -0.28 -0.05 114.38 117.02 3kth h ARG 146 Ca 0.12 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3kth h ARG 146 Cb 0.17 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3kth h ARG 146 CO -0.23 -0.21 0.04 0.22 -1.51 0.00 0.00 179.97 178.27 3kth h ASP 147 N -0.33 -0.04 -0.18 -3.80 3.58 -0.42 0.99 116.42 116.21 3kth h ASP 147 Ca 0.07 0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.62 3kth h ASP 147 Cb 0.42 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.52 3kth h ASP 147 CO -0.21 0.01 -0.10 0.50 -2.88 0.00 0.00 179.24 176.57 3kth h LYS 148 N 0.14 -0.08 -0.07 0.28 3.64 0.14 -1.95 116.57 118.67 3kth h LYS 148 Ca 0.15 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3kth h LYS 148 Cb 0.18 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3kth h LYS 148 CO -0.22 -0.05 0.03 -0.07 -2.27 0.00 0.00 179.45 176.87 3kth h LEU 149 N -0.08 0.10 -0.90 5.20 3.38 -0.63 -2.65 115.31 119.73 3kth h LEU 149 Ca 0.10 -0.13 0.18 0.00 0.09 0.00 0.00 57.88 58.12 3kth h LEU 149 Cb 0.23 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 3kth h LEU 149 CO -0.23 0.20 0.46 0.78 0.09 0.00 0.00 178.44 179.74 3kth h ASN 150 N -0.01 0.53 -0.39 -0.43 2.35 -0.54 -0.04 115.58 117.04 3kth h ASN 150 Ca 0.02 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3kth h ASN 150 Cb 0.13 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3kth h ASN 150 CO -0.00 0.16 0.21 0.11 -1.65 0.00 0.00 177.43 176.26 3kth h LYS 151 N 0.58 0.55 -0.40 0.81 1.57 -1.09 -0.38 116.57 118.21 3kth h LYS 151 Ca 0.52 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.28 3kth h LYS 151 Cb 0.84 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 3kth h LYS 151 CO -0.42 0.45 0.16 0.28 -0.57 0.00 0.00 179.45 179.35 3kth h VAL 152 N 0.50 0.91 -0.69 0.50 2.07 -0.73 -2.04 116.25 116.77 3kth h VAL 152 Ca 0.14 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.59 3kth h VAL 152 Cb 0.06 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 3kth h VAL 152 CO -0.02 0.06 0.41 -0.07 0.02 0.00 0.00 177.57 177.97 3kth h LEU 153 N 0.33 0.64 -0.46 2.57 3.38 -0.60 -1.58 115.31 119.58 3kth h LEU 153 Ca 0.18 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.25 3kth h LEU 153 Cb 0.14 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 3kth h LEU 153 CO -0.17 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.79 3kth h ALA 154 N 1.32 0.43 0.26 1.53 0.00 -0.38 0.22 119.26 122.65 3kth h ALA 154 Ca 0.29 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 3kth h ALA 154 Cb 0.11 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kth h ALA 154 CO -0.14 -0.39 -0.13 0.93 0.00 0.00 0.00 179.25 179.52 3kth h GLU 155 N 0.12 -0.34 -0.90 0.00 5.08 -0.94 0.54 114.58 118.13 3kth h GLU 155 Ca 0.23 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3kth h GLU 155 Cb 0.34 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 3kth h GLU 155 CO -0.38 -0.20 0.59 0.00 -1.00 0.00 0.00 179.01 178.03 3kth h ARG 156 N -0.40 1.16 0.08 2.33 2.47 -0.79 -3.28 114.38 115.96 3kth h ARG 156 Ca -0.04 -0.07 -0.29 0.00 -1.26 0.00 0.00 59.98 58.32 3kth h ARG 156 Cb 0.30 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 3kth h ARG 156 CO 0.06 0.77 -1.57 1.79 0.56 0.00 0.00 179.97 181.58 3kth h THR 157 N 1.20 0.85 0.00 2.04 1.35 -0.47 -3.46 112.91 114.43 3kth h THR 157 Ca 0.34 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 3kth h THR 157 Cb -0.11 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3kth h THR 157 CO -0.08 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 3kth n GLY 158 N 1.73 1.43 3.77 5.82 0.00 0.19 -4.56 105.19 113.57 3kth n GLY 158 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.42 3.26 0.47 1.61 -1.52 -1.22 -4.98 119.66 116.85 3kth s GLN 159 Ca 0.00 1.71 -0.21 0.00 -1.95 0.00 0.00 55.36 54.92 3kth s GLN 159 Cb 0.00 -2.02 -0.09 0.00 -0.22 0.00 0.00 33.01 30.68 3kth s GLN 159 CO 0.00 -0.94 1.02 -1.25 -0.25 0.00 0.00 175.29 173.87 3kth s PRO 160 N -3.24 3.90 0.22 2.91 0.04 -1.26 -4.52 135.00 133.05 3kth s PRO 160 Ca 0.73 1.32 -0.14 0.00 0.04 0.00 0.00 61.00 62.96 3kth s PRO 160 Cb -0.27 -2.13 0.27 0.00 0.04 0.00 0.00 34.50 32.41 3kth s PRO 160 CO 0.30 -0.34 1.60 1.25 0.04 0.00 0.00 177.00 179.85 3kth h LEU 161 N 1.67 -0.79 -0.85 -3.56 5.85 -1.93 -0.76 115.31 114.94 3kth h LEU 161 Ca -0.49 0.22 0.19 0.00 0.84 0.00 0.00 57.88 58.64 3kth h LEU 161 Cb 1.21 0.49 -0.15 0.00 0.37 0.00 0.00 40.66 42.57 3kth h LEU 161 CO 0.60 -0.26 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.04 3kth h GLU 162 N -0.03 0.04 0.32 1.25 4.39 -1.99 -0.03 114.58 118.53 3kth h GLU 162 Ca 0.33 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.01 3kth h GLU 162 Cb 0.54 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3kth h GLU 162 CO -0.75 0.03 -0.15 0.28 -1.16 0.00 0.00 179.01 177.26 3kth h VAL 163 N 0.04 0.70 -0.73 3.13 2.07 -1.51 -2.25 116.25 117.71 3kth h VAL 163 Ca 0.45 -0.12 0.12 0.00 0.82 0.00 0.00 66.70 67.97 3kth h VAL 163 Cb 0.80 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 31.26 3kth h VAL 163 CO -0.80 0.03 0.32 0.40 0.02 0.00 0.00 177.57 177.53 3kth h ILE 164 N -0.49 0.75 0.50 4.57 1.08 -0.92 0.19 117.51 123.19 3kth h ILE 164 Ca -0.04 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 3kth h ILE 164 Cb 0.37 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 3kth h ILE 164 CO 0.07 0.09 -0.35 -0.33 -0.69 0.00 0.00 178.15 176.95 3kth h GLU 165 N 0.51 -0.78 -0.81 2.37 5.08 -0.87 -1.78 114.58 118.29 3kth h GLU 165 Ca 0.38 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.85 3kth h GLU 165 Cb 0.50 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 3kth h GLU 165 CO -0.34 -0.52 0.53 -0.09 -1.00 0.00 0.00 179.01 177.60 3kth h ARG 166 N -0.81 0.88 0.00 2.33 2.43 -1.14 -2.66 114.38 115.41 3kth h ARG 166 Ca -0.07 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3kth h ARG 166 Cb 0.66 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3kth h ARG 166 CO 0.04 0.58 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.57 3kth h ASP 167 N 0.90 0.00 -0.34 -3.80 5.19 -0.45 -3.10 116.42 114.82 3kth h ASP 167 Ca 0.35 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 3kth h ASP 167 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 3kth h ASP 167 CO -0.12 0.07 0.00 0.35 -3.12 0.00 0.00 179.24 176.42 3kth n THR 168 N -3.19 1.90 -0.29 0.35 -2.24 -0.69 -4.56 114.28 105.57 3kth n THR 168 Ca 0.01 -1.53 0.02 0.00 -2.27 0.00 0.00 64.05 60.27 3kth n THR 168 Cb 0.36 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.81 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 2.20 0.93 -5.16 3.42 1.82 -1.47 -0.40 116.42 117.76 3kth h ASP 169 Ca 0.00 -0.01 -0.13 0.00 -0.39 0.00 0.00 57.03 56.50 3kth h ASP 169 Cb 1.27 -0.21 -0.17 0.00 0.68 0.00 0.00 39.33 40.90 3kth h ASP 169 CO 0.17 0.63 -0.69 -0.13 -1.61 0.00 0.00 179.24 177.62 3kth s ARG 170 N -5.92 0.54 -0.33 0.28 0.52 -1.26 -4.69 118.95 108.09 3kth s ARG 170 Ca -0.12 -1.06 -0.39 0.00 -0.52 0.00 0.00 55.73 53.64 3kth s ARG 170 Cb 0.19 0.18 -0.17 0.00 0.52 0.00 0.00 34.95 35.66 3kth s ARG 170 CO 0.80 -0.09 1.28 -0.25 0.02 0.00 0.00 175.30 177.05 3kth n ASP 171 N 0.49 0.78 -4.08 0.23 8.00 -1.26 -4.83 116.55 115.89 3kth n ASP 171 Ca -0.17 1.03 -0.32 0.00 0.71 0.00 0.00 54.79 56.04 3kth n ASP 171 Cb 0.59 -0.78 -0.15 0.00 -0.02 0.00 0.00 41.12 40.77 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 1.95 4.56 -0.16 -2.24 3.04 -0.72 -5.01 114.94 116.36 3kth s ASN 172 Ca 0.89 -1.45 -0.13 0.00 0.04 0.00 0.00 52.86 52.20 3kth s ASN 172 Cb -1.26 -1.59 -0.05 0.00 -1.54 0.00 0.00 41.25 36.82 3kth s ASN 172 CO 0.66 -0.22 0.28 -0.36 -3.04 0.00 0.00 177.10 174.42 3kth s PHE 173 N 1.11 3.47 0.03 0.43 0.08 -1.26 -1.90 117.98 119.93 3kth s PHE 173 Ca -0.07 0.58 0.05 0.00 0.12 0.00 0.00 56.93 57.62 3kth s PHE 173 Cb -0.20 -2.32 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 3kth s PHE 173 CO -0.05 0.26 -0.15 0.15 -0.10 0.00 0.00 175.22 175.34 3kth s LYS 174 N 0.38 1.03 0.83 0.44 1.02 0.13 -5.00 119.74 118.57 3kth s LYS 174 Ca 0.16 -0.70 -0.11 0.00 0.02 0.00 0.00 55.97 55.33 3kth s LYS 174 Cb -0.13 -1.03 0.12 0.00 -0.52 0.00 0.00 37.83 36.27 3kth s LYS 174 CO 0.04 0.26 1.18 -1.54 -0.92 0.00 0.00 175.35 174.37 3kth s SER 175 N -0.92 4.08 0.15 2.83 1.04 -1.26 -0.91 113.70 118.72 3kth s SER 175 Ca 0.03 0.45 -0.17 0.00 0.48 0.00 0.00 55.95 56.74 3kth s SER 175 Cb -0.07 -0.81 0.07 0.00 0.10 0.00 0.00 66.02 65.30 3kth s SER 175 CO 0.01 -2.12 1.70 0.00 0.98 0.00 0.00 173.24 173.81 3kth h ALA 176 N -1.12 0.30 -0.01 5.32 0.00 -1.78 0.29 119.26 122.26 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 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3kth h ALA 176 CO 0.53 -0.41 0.00 0.93 0.00 0.00 0.00 179.25 180.31 3kth h GLU 177 N 0.09 0.01 -0.63 0.00 3.07 -1.92 0.19 114.58 115.38 3kth h GLU 177 Ca 0.17 -0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.14 3kth h GLU 177 Cb 0.23 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.10 3kth h GLU 177 CO -0.28 0.12 0.43 0.93 -1.40 0.00 0.00 179.01 178.80 3kth h GLU 178 N -0.10 0.36 -0.16 2.33 5.08 -1.80 0.21 114.58 120.50 3kth h GLU 178 Ca 0.00 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 3kth h GLU 178 Cb 0.11 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3kth h GLU 178 CO -0.00 0.24 -0.70 0.00 -1.00 0.00 0.00 179.01 177.55 3kth h ALA 179 N 1.69 0.47 -0.14 3.43 0.00 0.43 -1.78 119.26 123.36 3kth h ALA 179 Ca 0.30 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3kth h ALA 179 Cb 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3kth h ALA 179 CO -0.08 0.71 0.04 1.25 0.00 0.00 0.00 179.25 181.16 3kth h LEU 180 N 0.47 0.21 -0.87 0.00 5.85 0.21 -2.16 115.31 119.02 3kth h LEU 180 Ca -0.03 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.53 3kth h LEU 180 Cb 1.30 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 3kth h LEU 180 CO 0.14 0.37 0.55 -0.33 -0.34 0.00 0.00 178.44 178.83 3kth h GLU 181 N 0.03 0.99 0.00 1.25 5.08 -0.69 -1.98 114.58 119.26 3kth h GLU 181 Ca 0.04 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3kth h GLU 181 Cb 0.24 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kth h GLU 181 CO -0.00 0.65 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.59 3kth h TYR 182 N 1.02 0.00 0.00 4.33 3.20 -1.16 -3.46 116.97 120.90 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 -0.03 0.15 0.00 0.41 -1.64 0.00 0.00 178.16 177.06 3kth n GLY 183 N -0.20 1.12 0.14 1.82 0.00 -0.75 -4.65 105.19 102.67 3kth n GLY 183 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 0.69 -9.77 0.99 3.38 -1.60 -3.36 115.31 105.65 3kth h LEU 184 Ca 0.00 -0.93 -0.61 0.00 0.09 0.00 0.00 57.88 56.43 3kth h LEU 184 Cb 0.00 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 40.41 3kth h LEU 184 CO 0.00 1.69 -0.56 0.27 0.09 0.00 0.00 178.44 179.93 3kth s ILE 185 N -2.56 2.03 -0.14 1.22 -4.36 -1.23 -4.35 121.20 111.81 3kth s ILE 185 Ca -0.13 -1.90 0.05 0.00 -0.26 0.00 0.00 60.65 58.42 3kth s ILE 185 Cb 0.04 -2.93 -0.12 0.00 1.25 0.00 0.00 42.46 40.70 3kth s ILE 185 CO 0.89 0.00 -0.06 0.47 0.24 0.00 0.00 174.94 176.48 3kth n ASP 186 N -1.08 2.45 -3.71 4.36 8.00 0.15 -4.66 116.55 122.07 3kth n ASP 186 Ca -0.05 -0.05 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 3kth n ASP 186 Cb 0.66 0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 41.91 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 -2.30 0.89 -0.29 -1.24 2.20 -1.23 -5.05 119.74 112.72 3kth s LYS 187 Ca -0.14 -0.49 -0.07 0.00 -0.36 0.00 0.00 55.97 54.91 3kth s LYS 187 Cb 0.05 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 3kth s LYS 187 CO 0.42 -0.30 0.09 0.42 -0.36 0.00 0.00 175.35 175.61 3kth s ILE 188 N -2.72 4.05 0.80 5.43 1.01 -1.26 -2.77 121.20 125.74 3kth s ILE 188 Ca -0.04 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 3kth s ILE 188 Cb -0.00 -3.07 0.07 0.00 0.01 0.00 0.00 42.46 39.47 3kth s ILE 188 CO -0.04 0.10 1.09 -0.76 0.00 0.00 0.00 174.94 175.33 3kth s LEU 189 N 1.52 2.59 0.00 2.97 1.43 -0.78 -4.93 118.68 121.49 3kth s LEU 189 Ca 0.03 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 3kth s LEU 189 Cb -0.17 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.10 3kth s LEU 189 CO 0.03 -2.02 0.04 0.35 0.23 0.00 0.00 176.35 174.97 3kth n THR 190 N -3.47 0.00 -3.18 5.49 -2.24 -1.26 -4.09 114.28 105.53 3kth n THR 190 Ca 0.07 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.89 3kth n THR 190 Cb 0.56 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 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 0.00 -0.98 0.41 4.78 3.76 -1.26 -5.16 115.29 116.84 3kth s HIS 191 Ca 0.00 1.10 -0.25 0.00 -0.15 0.00 0.00 55.06 55.76 3kth s HIS 191 Cb 0.00 0.37 -0.08 0.00 1.11 0.00 0.00 32.58 33.97 3kth s HIS 191 CO 0.00 -0.53 1.18 -0.51 -0.85 0.00 0.00 174.74 174.03 3kth s LEU 192 N 2.88 4.18 0.00 0.89 2.01 -1.26 -5.28 118.68 122.10 3kth s LEU 192 Ca 0.07 2.37 0.00 0.00 0.01 0.00 0.00 54.13 56.58 3kth s LEU 192 Cb -0.12 -4.03 0.00 0.00 0.01 0.00 0.00 46.19 42.05 3kth s LEU 192 CO -0.16 -0.71 0.00 -1.84 1.01 0.00 0.00 176.35 174.65