#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 2.91 0.17 0.00 0.04 -1.26 -4.92 135.00 131.94 3kth s PRO 4 Ca 0.00 -0.85 -0.30 0.00 0.04 0.00 0.00 61.00 59.89 3kth s PRO 4 Cb 0.00 -2.66 -0.07 0.00 0.04 0.00 0.00 34.50 31.81 3kth s PRO 4 CO 0.00 0.49 1.04 -0.08 0.04 0.00 0.00 177.00 178.49 3kth s THR 5 N -1.71 4.08 -0.39 1.26 -1.32 -1.26 -1.80 115.64 114.51 3kth s THR 5 Ca 0.31 1.81 0.17 0.00 -1.21 0.00 0.00 61.69 62.77 3kth s THR 5 Cb -0.10 -4.16 -0.22 0.00 -1.51 0.00 0.00 72.50 66.51 3kth s THR 5 CO 0.23 0.32 0.53 0.55 -2.21 0.00 0.00 174.62 174.04 3kth n VAL 6 N 2.38 0.00 -2.25 5.08 3.14 -1.26 -4.89 118.33 120.53 3kth n VAL 6 Ca 0.02 -0.25 -0.03 0.00 -2.96 0.00 0.00 64.34 61.11 3kth n VAL 6 Cb 0.47 0.54 0.00 0.00 -1.06 0.00 0.00 33.84 33.80 3kth n VAL 6 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kth n TYR 17 N -1.75 -2.06 -0.17 1.45 4.19 -1.26 -5.08 117.16 112.48 3kth n TYR 17 Ca -0.00 0.85 -0.05 0.00 3.31 0.00 0.00 57.90 62.01 3kth n TYR 17 Cb 0.35 -2.96 0.00 0.00 0.49 0.00 0.00 39.34 37.22 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 -0.19 -0.52 0.01 2.98 4.64 -1.26 -4.64 116.55 117.57 3kth n ASP 18 Ca 0.05 0.08 -0.18 0.00 -1.38 0.00 0.00 54.79 53.37 3kth n ASP 18 Cb 0.20 -0.11 -0.13 0.00 -1.04 0.00 0.00 41.12 40.03 3kth n ASP 18 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 3kth h ILE 19 N -0.01 1.54 -0.06 5.18 6.09 -1.70 -2.04 117.51 126.52 3kth h ILE 19 Ca -0.06 -2.30 -0.04 0.00 -1.37 0.00 0.00 64.86 61.09 3kth h ILE 19 Cb 0.20 3.02 -0.01 0.00 0.47 0.00 0.00 36.82 40.49 3kth h ILE 19 CO 0.06 0.64 -0.14 1.88 -3.07 0.00 0.00 178.15 177.52 3kth h TYR 20 N -0.42 0.09 -0.15 2.19 0.05 -1.92 -2.19 116.97 114.62 3kth h TYR 20 Ca -0.09 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.60 3kth h TYR 20 Cb 1.37 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 39.08 3kth h TYR 20 CO 0.19 0.23 -0.23 0.77 -1.05 0.00 0.00 178.16 178.08 3kth h SER 21 N 0.08 0.45 -0.42 3.88 0.02 -1.91 -2.20 113.55 113.46 3kth h SER 21 Ca 0.02 -0.53 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3kth h SER 21 Cb 0.31 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3kth h SER 21 CO 0.02 0.89 0.25 -0.09 -1.14 0.00 0.00 176.83 176.76 3kth h ARG 22 N 0.03 0.59 0.00 3.45 9.65 -1.07 -0.73 114.38 126.30 3kth h ARG 22 Ca 0.01 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.76 3kth h ARG 22 Cb 0.80 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 3kth h ARG 22 CO 0.05 0.42 -0.42 1.25 2.80 0.00 0.00 179.97 184.08 3kth h LEU 23 N 0.60 0.00 -1.05 3.80 5.85 -1.30 -1.95 115.31 121.26 3kth h LEU 23 Ca 0.16 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 3kth h LEU 23 Cb -0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3kth h LEU 23 CO -0.03 0.42 -0.34 0.25 -0.34 0.00 0.00 178.44 178.40 3kth h LEU 24 N 0.00 0.00 -1.55 2.25 5.85 -0.49 -2.31 115.31 119.06 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 0.83 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3kth h LEU 24 CO 0.05 0.34 0.01 0.50 -0.34 0.00 0.00 178.44 179.01 3kth h LYS 25 N 0.00 0.30 -0.71 1.25 3.64 -0.84 0.19 116.57 120.40 3kth h LYS 25 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3kth h LYS 25 Cb 0.83 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3kth h LYS 25 CO 0.04 0.32 0.00 -0.25 -2.27 0.00 0.00 179.45 177.29 3kth n ASP 26 N -4.38 4.20 -2.99 4.20 10.43 -1.03 -4.90 116.55 122.07 3kth n ASP 26 Ca 0.00 -2.61 -0.15 0.00 2.57 0.00 0.00 54.79 54.60 3kth n ASP 26 Cb 0.18 -0.62 0.07 0.00 1.84 0.00 0.00 41.12 42.59 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 0.45 -5.54 -4.36 -1.24 1.74 0.06 -4.93 116.66 102.84 3kth n ARG 27 Ca 0.19 0.69 -0.27 0.00 -0.77 0.00 0.00 57.85 57.69 3kth n ARG 27 Cb 0.88 -5.26 -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 1.34 -0.14 0.55 1.01 -0.90 -2.08 121.20 117.68 3kth s ILE 28 Ca 0.05 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 3kth s ILE 28 Cb -0.02 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 3kth s ILE 28 CO 0.60 0.41 -0.03 -0.63 0.00 0.00 0.00 174.94 175.28 3kth s ILE 29 N 1.08 3.93 -0.29 2.92 1.01 0.34 -3.46 121.20 126.74 3kth s ILE 29 Ca -0.05 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.17 3kth s ILE 29 Cb -0.15 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.61 3kth s ILE 29 CO -0.02 0.51 0.09 -0.04 0.00 0.00 0.00 174.94 175.48 3kth s MET 30 N 0.17 3.26 -0.41 2.79 -1.94 -1.26 -1.31 119.30 120.59 3kth s MET 30 Ca -0.01 -0.75 -0.06 0.00 -1.71 0.00 0.00 55.69 53.16 3kth s MET 30 Cb -0.14 -3.39 0.09 0.00 2.01 0.00 0.00 34.83 33.40 3kth s MET 30 CO 0.03 -0.38 0.22 -1.17 -0.01 0.00 0.00 175.02 173.70 3kth s LEU 31 N 1.54 5.09 -0.39 -0.03 2.96 -0.75 -4.95 118.68 122.16 3kth s LEU 31 Ca 0.04 -1.70 0.12 0.00 -0.22 0.00 0.00 54.13 52.37 3kth s LEU 31 Cb -0.17 -1.90 0.42 0.00 0.50 0.00 0.00 46.19 45.05 3kth s LEU 31 CO 0.03 -0.52 0.97 0.61 -1.32 0.00 0.00 176.35 176.12 3kth n GLY 32 N 4.77 3.56 3.83 7.98 0.00 -1.26 -1.27 105.19 122.80 3kth n GLY 32 Ca -0.07 -1.94 -0.05 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.05 0.92 1.61 1.04 -1.22 -4.95 113.70 107.86 3kth s SER 33 Ca 0.37 -0.79 -0.11 0.00 0.48 0.00 0.00 55.95 55.90 3kth s SER 33 Cb 0.41 0.64 0.15 0.00 0.10 0.00 0.00 66.02 67.32 3kth s SER 33 CO -0.06 -1.25 1.10 0.00 0.98 0.00 0.00 173.24 174.01 3kth s ALA 34 N -2.55 1.31 -0.32 5.32 0.00 -1.26 -4.46 121.76 119.81 3kth s ALA 34 Ca 0.17 0.21 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 3kth s ALA 34 Cb -0.04 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3kth s ALA 34 CO 0.07 -2.64 0.13 0.42 0.00 0.00 0.00 175.76 173.74 3kth s ILE 35 N -2.75 4.25 0.23 0.00 1.01 0.72 -4.86 121.20 119.80 3kth s ILE 35 Ca 0.65 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.64 3kth s ILE 35 Cb -0.21 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 3kth s ILE 35 CO 0.58 0.00 0.06 1.51 0.00 0.00 0.00 174.94 177.10 3kth s ASP 36 N 1.54 1.18 0.31 3.58 3.84 -1.26 -0.24 116.67 125.61 3kth s ASP 36 Ca 0.03 -1.31 0.11 0.00 -0.00 0.00 0.00 52.55 51.38 3kth s ASP 36 Cb -0.18 0.15 0.98 0.00 -1.38 0.00 0.00 42.92 42.49 3kth s ASP 36 CO 0.04 -0.68 1.39 0.47 -0.00 0.00 0.00 175.17 176.40 3kth n ASP 37 N -0.38 0.14 0.10 2.11 10.43 -1.26 -0.78 116.55 126.91 3kth n ASP 37 Ca -0.02 1.48 -0.13 0.00 2.57 0.00 0.00 54.79 58.69 3kth n ASP 37 Cb 0.65 -0.65 -0.08 0.00 1.84 0.00 0.00 41.12 42.88 3kth n ASP 37 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 177.20 175.00 3kth h ASN 38 N 0.00 -0.23 -0.75 -2.24 -0.73 -1.99 -1.00 115.58 108.64 3kth h ASN 38 Ca 0.66 -0.25 0.04 0.00 1.87 0.00 0.00 56.30 58.62 3kth h ASN 38 Cb 1.62 0.06 -0.05 0.00 0.27 0.00 0.00 38.32 40.22 3kth h ASN 38 CO -0.74 0.15 0.47 0.58 -0.37 0.00 0.00 177.43 177.51 3kth h VAL 39 N -0.65 1.09 -0.25 2.57 2.07 -1.29 -1.38 116.25 118.42 3kth h VAL 39 Ca -0.03 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.20 3kth h VAL 39 Cb 0.46 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3kth h VAL 39 CO 0.05 0.16 0.12 0.00 0.02 0.00 0.00 177.57 177.92 3kth h ALA 40 N 1.33 0.30 -0.93 1.67 0.00 -1.02 -0.99 119.26 119.62 3kth h ALA 40 Ca 0.30 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.29 3kth h ALA 40 Cb 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3kth h ALA 40 CO -0.12 -0.28 0.61 -0.97 0.00 0.00 0.00 179.25 178.49 3kth h ASN 41 N 0.26 0.94 0.28 0.00 -0.00 -0.44 0.15 115.58 116.78 3kth h ASN 41 Ca 0.10 0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.40 3kth h ASN 41 Cb 0.03 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.16 3kth h ASN 41 CO -0.07 0.60 -0.14 -1.28 -0.00 0.00 0.00 177.43 176.54 3kth h SER 42 N 1.07 -0.32 -0.95 1.15 0.87 -0.51 -2.11 113.55 112.73 3kth h SER 42 Ca 0.40 -0.20 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 3kth h SER 42 Cb 0.20 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 3kth h SER 42 CO -0.16 0.07 0.62 0.40 -0.53 0.00 0.00 176.83 177.24 3kth h ILE 43 N -0.77 1.18 -0.41 2.23 2.04 -0.98 0.43 117.51 121.22 3kth h ILE 43 Ca -0.04 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 3kth h ILE 43 Cb 0.50 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3kth h ILE 43 CO 0.06 0.22 0.24 0.58 0.00 0.00 0.00 178.15 179.26 3kth h VAL 44 N 1.22 1.14 -0.91 1.67 2.07 -0.73 0.48 116.25 121.19 3kth h VAL 44 Ca 0.37 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.59 3kth h VAL 44 Cb -0.02 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 3kth h VAL 44 CO -0.11 0.14 0.60 0.28 0.02 0.00 0.00 177.57 178.50 3kth h SER 45 N 0.54 0.99 -0.40 0.57 0.02 -0.60 0.18 113.55 114.85 3kth h SER 45 Ca 0.15 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 3kth h SER 45 Cb 0.02 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3kth h SER 45 CO -0.03 0.69 -0.03 1.56 -1.14 0.00 0.00 176.83 177.88 3kth h GLN 46 N 1.15 0.73 0.12 3.45 4.20 -0.14 -0.93 115.11 123.70 3kth h GLN 46 Ca 0.35 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3kth h GLN 46 Cb -0.01 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 3kth h GLN 46 CO -0.10 0.84 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.76 3kth h LEU 47 N 0.56 -0.18 -0.73 1.46 3.38 -0.17 -0.82 115.31 118.81 3kth h LEU 47 Ca 0.11 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.18 3kth h LEU 47 Cb 0.53 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 3kth h LEU 47 CO 0.03 -0.12 0.37 -0.07 0.09 0.00 0.00 178.44 178.74 3kth h LEU 48 N -0.19 0.50 0.00 1.67 3.38 -0.90 -1.11 115.31 118.67 3kth h LEU 48 Ca -0.01 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kth h LEU 48 Cb 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kth h LEU 48 CO 0.01 0.29 -0.00 0.15 0.09 0.00 0.00 178.44 178.98 3kth h PHE 49 N 0.64 -0.01 -0.89 1.13 3.57 -0.85 -2.49 116.94 118.04 3kth h PHE 49 Ca 0.36 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.90 3kth h PHE 49 Cb 0.36 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 3kth h PHE 49 CO -0.10 0.07 0.58 -0.07 -2.23 0.00 0.00 178.31 176.56 3kth h LEU 50 N -0.08 0.94 -1.80 0.59 3.38 -0.66 -1.23 115.31 116.45 3kth h LEU 50 Ca -0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kth h LEU 50 Cb 0.07 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3kth h LEU 50 CO 0.00 0.63 -0.14 0.00 0.09 0.00 0.00 178.44 179.03 3kth h ALA 51 N 1.49 1.27 0.00 1.53 0.00 -0.96 -2.31 119.26 120.28 3kth h ALA 51 Ca 0.36 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 3kth h ALA 51 Cb 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3kth h ALA 51 CO -0.11 0.17 -1.08 0.00 0.00 0.00 0.00 179.25 178.23 3kth h ALA 52 N 1.86 0.54 -0.08 0.00 0.00 -0.80 -2.98 119.26 117.81 3kth h ALA 52 Ca -0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 54.91 53.80 3kth h ALA 52 Cb 0.39 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kth h ALA 52 CO 0.02 1.13 -0.77 0.93 0.00 0.00 0.00 179.25 180.56 3kth h GLU 53 N 0.00 0.46 -0.53 0.00 4.39 -0.86 -3.43 114.58 114.61 3kth h GLU 53 Ca -0.08 -0.39 0.07 0.00 0.34 0.00 0.00 59.36 59.29 3kth h GLU 53 Cb 1.71 0.09 -0.18 0.00 -0.10 0.00 0.00 28.75 30.26 3kth h GLU 53 CO 0.10 1.03 -0.23 0.34 -1.16 0.00 0.00 179.01 179.09 3kth s ASP 54 N -7.01 -0.83 0.00 1.42 -1.08 -1.06 -5.01 116.67 103.10 3kth s ASP 54 Ca -0.06 -0.33 0.08 0.00 -0.52 0.00 0.00 52.55 51.72 3kth s ASP 54 Cb 0.10 1.13 0.46 0.00 -1.46 0.00 0.00 42.92 43.15 3kth s ASP 54 CO 0.85 -0.10 0.87 -0.81 0.52 0.00 0.00 175.17 176.50 3kth n PRO 55 N 4.20 0.35 -0.11 4.34 -0.04 -1.13 -2.92 135.00 139.70 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 0.60 -1.34 -0.11 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.84 0.63 -2.17 0.54 -0.58 -1.26 -3.25 120.64 113.70 3kth n GLU 56 Ca 0.06 0.29 -0.37 0.00 -0.42 0.00 0.00 57.16 56.71 3kth n GLU 56 Cb 0.03 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 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 -2.49 3.59 0.76 3.49 1.02 -1.15 -4.79 119.74 120.17 3kth s LYS 57 Ca -0.34 1.83 -0.12 0.00 0.02 0.00 0.00 55.97 57.37 3kth s LYS 57 Cb 0.11 -2.33 0.05 0.00 -0.52 0.00 0.00 37.83 35.14 3kth s LYS 57 CO 0.58 -0.71 1.11 -2.00 -0.92 0.00 0.00 175.35 173.41 3kth s GLU 58 N -2.81 2.21 -0.02 1.68 2.12 -1.26 -4.50 118.70 116.12 3kth s GLU 58 Ca 0.66 1.30 0.04 0.00 0.36 0.00 0.00 54.97 57.33 3kth s GLU 58 Cb -0.30 -1.88 -0.01 0.00 0.26 0.00 0.00 34.13 32.20 3kth s GLU 58 CO 0.36 -1.70 -0.14 0.42 -0.54 0.00 0.00 175.26 173.66 3kth s ILE 59 N -2.69 1.12 -0.16 -3.70 1.01 -0.60 -4.93 121.20 111.24 3kth s ILE 59 Ca 0.64 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 3kth s ILE 59 Cb -0.19 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 3kth s ILE 59 CO 0.52 0.32 -0.11 -0.44 0.00 0.00 0.00 174.94 175.24 3kth s SER 60 N -0.22 4.04 -0.49 3.58 0.01 -0.88 0.12 113.70 119.86 3kth s SER 60 Ca 0.03 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.91 3kth s SER 60 Cb -0.07 -1.64 0.13 0.00 0.21 0.00 0.00 66.02 64.65 3kth s SER 60 CO -0.00 0.09 0.28 -0.22 0.41 0.00 0.00 173.24 173.80 3kth s LEU 61 N 0.80 5.08 0.30 2.44 2.96 0.15 -0.50 118.68 129.90 3kth s LEU 61 Ca -0.04 -2.46 -0.29 0.00 -0.22 0.00 0.00 54.13 51.12 3kth s LEU 61 Cb -0.15 -1.79 -0.10 0.00 0.50 0.00 0.00 46.19 44.65 3kth s LEU 61 CO 0.01 -0.42 1.22 -0.31 -1.32 0.00 0.00 176.35 175.53 3kth s TYR 62 N 0.51 3.28 -0.10 5.38 1.51 -0.43 -2.56 117.35 124.94 3kth s TYR 62 Ca 0.13 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.70 3kth s TYR 62 Cb -0.22 -3.52 0.02 0.00 -0.11 0.00 0.00 41.96 38.14 3kth s TYR 62 CO -0.04 -1.34 -0.08 0.42 -1.11 0.00 0.00 175.55 173.40 3kth s ILE 63 N -1.04 0.97 -0.42 2.71 1.01 0.07 -1.80 121.20 122.70 3kth s ILE 63 Ca 0.48 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.88 3kth s ILE 63 Cb -0.36 -0.98 0.17 0.00 0.01 0.00 0.00 42.46 41.30 3kth s ILE 63 CO 0.47 0.35 0.39 0.21 0.00 0.00 0.00 174.94 176.36 3kth s ASN 64 N 1.49 1.11 0.01 3.58 2.47 -0.40 -0.85 114.94 122.35 3kth s ASN 64 Ca 0.00 -2.62 0.00 0.00 0.42 0.00 0.00 52.86 50.67 3kth s ASN 64 Cb -0.13 0.03 -0.01 0.00 -1.45 0.00 0.00 41.25 39.69 3kth s ASN 64 CO -0.05 -0.18 -0.02 -0.55 -3.72 0.00 0.00 177.10 172.58 3kth s SER 65 N 0.44 0.24 0.00 -4.21 0.15 0.10 -3.42 113.70 106.99 3kth s SER 65 Ca 0.29 -0.24 0.29 0.00 0.70 0.00 0.00 55.95 56.99 3kth s SER 65 Cb -0.02 0.03 1.56 0.00 -1.71 0.00 0.00 66.02 65.89 3kth s SER 65 CO -0.14 -0.12 2.03 -0.81 1.20 0.00 0.00 173.24 175.40 3kth n PRO 66 N 2.38 0.61 0.00 5.44 -0.04 -1.26 -1.42 135.00 140.71 3kth n PRO 66 Ca -0.17 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 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 1.02 -0.46 0.00 0.55 0.00 -1.13 -4.41 105.19 100.76 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 -0.63 3.73 -0.02 0.00 -1.26 -0.20 105.19 106.82 3kth n GLY 68 Ca 0.00 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 7.10 0.18 1.61 0.15 0.67 -4.75 113.70 114.65 3kth s SER 69 Ca 0.00 2.18 -0.14 0.00 0.70 0.00 0.00 55.95 58.70 3kth s SER 69 Cb 0.00 -2.60 0.14 0.00 -1.71 0.00 0.00 66.02 61.85 3kth s SER 69 CO 0.00 -0.37 1.75 0.40 1.20 0.00 0.00 173.24 176.22 3kth h ILE 70 N 3.87 0.86 -0.20 6.45 5.03 -1.96 -0.90 117.51 130.66 3kth h ILE 70 Ca -0.44 -0.12 -0.03 0.00 -0.12 0.00 0.00 64.86 64.15 3kth h ILE 70 Cb 1.21 0.48 -0.01 0.00 -3.03 0.00 0.00 36.82 35.48 3kth h ILE 70 CO 0.75 0.06 0.02 0.71 -0.68 0.00 0.00 178.15 179.01 3kth h THR 71 N 0.34 1.24 -0.91 -0.27 1.35 -1.98 -1.63 112.91 111.05 3kth h THR 71 Ca 0.22 -0.81 0.11 0.00 -0.55 0.00 0.00 66.41 65.38 3kth h THR 71 Cb 0.21 1.38 -0.07 0.00 -1.73 0.00 0.00 68.15 67.94 3kth h THR 71 CO -0.22 0.25 0.58 0.00 -0.25 0.00 0.00 175.52 175.88 3kth h ALA 72 N 0.81 1.68 0.46 6.62 0.00 -1.84 -0.90 119.26 126.09 3kth h ALA 72 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kth h ALA 72 Cb 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kth h ALA 72 CO 0.01 0.11 -0.22 0.78 0.00 0.00 0.00 179.25 179.93 3kth h GLY 73 N 0.84 -0.65 0.35 0.00 0.00 -0.86 -2.95 103.07 99.79 3kth h GLY 73 Ca 0.43 0.24 0.19 0.00 0.00 0.00 0.00 47.33 48.19 3kth h GLY 73 CO -0.20 -0.24 0.59 -0.33 0.00 0.00 0.00 176.54 176.36 3kth h MET 74 N -0.90 0.50 -0.00 4.80 2.86 -0.76 0.17 114.93 121.60 3kth h MET 74 Ca -0.06 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3kth h MET 74 Cb 0.58 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3kth h MET 74 CO 0.10 0.33 -0.10 0.00 1.06 0.00 0.00 176.91 178.30 3kth h ALA 75 N 1.61 -0.11 0.47 6.32 0.00 -1.12 0.32 119.26 126.75 3kth h ALA 75 Ca 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 3kth h ALA 75 Cb 1.02 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3kth h ALA 75 CO -0.21 -0.60 -0.34 0.82 0.00 0.00 0.00 179.25 178.93 3kth h ILE 76 N -0.18 0.30 -0.22 0.00 1.08 -0.61 -1.57 117.51 116.31 3kth h ILE 76 Ca 0.04 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.53 3kth h ILE 76 Cb 0.23 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 3kth h ILE 76 CO -0.10 0.00 -0.20 0.22 -0.69 0.00 0.00 178.15 177.38 3kth h TYR 77 N -0.79 -0.61 -0.82 1.37 3.20 -0.46 0.29 116.97 119.15 3kth h TYR 77 Ca -0.05 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.01 3kth h TYR 77 Cb 0.67 0.30 -0.10 0.00 1.54 0.00 0.00 36.73 39.14 3kth h TYR 77 CO -0.14 -0.15 0.38 -0.44 -1.64 0.00 0.00 178.16 176.17 3kth h ASP 78 N -0.08 0.41 -0.95 -2.11 3.45 -0.37 0.64 116.42 117.40 3kth h ASP 78 Ca 0.04 0.11 0.04 0.00 0.43 0.00 0.00 57.03 57.64 3kth h ASP 78 Cb 0.18 0.05 -0.05 0.00 -0.56 0.00 0.00 39.33 38.95 3kth h ASP 78 CO -0.25 0.15 0.62 0.74 -1.57 0.00 0.00 179.24 178.93 3kth h THR 79 N 0.52 1.17 -0.30 0.35 2.02 -0.17 0.29 112.91 116.79 3kth h THR 79 Ca 0.46 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3kth h THR 79 Cb 0.69 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3kth h THR 79 CO -0.40 0.22 0.14 0.24 0.37 0.00 0.00 175.52 176.09 3kth h MET 80 N 1.19 0.44 0.00 6.66 2.86 0.11 -2.18 114.93 124.02 3kth h MET 80 Ca 0.37 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.82 3kth h MET 80 Cb 0.00 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3kth h MET 80 CO -0.11 0.42 -0.61 1.96 1.06 0.00 0.00 176.91 179.63 3kth h GLN 81 N 0.35 0.00 0.11 1.72 1.08 -0.96 -3.32 115.11 114.09 3kth h GLN 81 Ca 0.10 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 3kth h GLN 81 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3kth h GLN 81 CO -0.01 0.61 -0.05 0.35 -0.95 0.00 0.00 178.83 178.78 3kth h PHE 82 N 0.00 -0.13 -4.19 2.96 3.57 -0.25 -3.46 116.94 115.44 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 1.11 0.04 0.15 0.00 2.79 0.00 0.00 35.95 40.04 3kth h PHE 82 CO 0.00 0.28 0.38 0.96 -2.23 0.00 0.00 178.31 177.69 3kth s ILE 83 N -4.36 2.39 0.03 1.41 -4.36 -0.84 -4.96 121.20 110.50 3kth s ILE 83 Ca -0.15 0.18 -0.25 0.00 -0.26 0.00 0.00 60.65 60.18 3kth s ILE 83 Cb 0.02 -2.71 -0.18 0.00 1.25 0.00 0.00 42.46 40.84 3kth s ILE 83 CO 0.61 -0.11 1.49 0.50 0.24 0.00 0.00 174.94 177.67 3kth h LYS 84 N -0.41 -0.01 -6.78 0.37 1.63 -1.88 -3.45 116.57 106.04 3kth h LYS 84 Ca -0.47 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 58.77 3kth h LYS 84 Cb 1.29 0.00 0.18 0.00 -0.60 0.00 0.00 32.23 33.10 3kth h LYS 84 CO 0.49 0.25 -0.13 -2.30 -3.45 0.00 0.00 179.45 174.32 3kth n PRO 85 N -4.97 0.48 -3.30 1.90 -0.02 -1.20 -4.95 135.00 122.94 3kth n PRO 85 Ca -0.08 0.21 -0.38 0.00 -2.02 0.00 0.00 63.50 61.23 3kth n PRO 85 Cb 0.15 -2.02 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 3kth n PRO 85 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3kth s LYS 86 N -2.92 4.25 -0.32 -0.52 1.02 -1.26 -4.94 119.74 115.04 3kth s LYS 86 Ca 0.70 0.39 -0.16 0.00 0.02 0.00 0.00 55.97 56.92 3kth s LYS 86 Cb -0.37 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.42 3kth s LYS 86 CO 0.53 -0.01 0.43 0.08 -0.92 0.00 0.00 175.35 175.46 3kth s VAL 87 N 1.19 5.10 0.00 3.17 1.01 -1.26 -1.56 120.40 128.06 3kth s VAL 87 Ca 0.24 0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.38 3kth s VAL 87 Cb -0.15 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 3kth s VAL 87 CO 0.09 -0.07 0.49 -0.55 0.00 0.00 0.00 175.10 175.07 3kth s SER 88 N 1.71 6.88 0.00 3.32 0.15 0.33 -0.57 113.70 125.53 3kth s SER 88 Ca 0.16 1.05 0.06 0.00 0.70 0.00 0.00 55.95 57.92 3kth s SER 88 Cb -0.16 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.82 3kth s SER 88 CO 0.12 0.23 -0.17 0.42 1.20 0.00 0.00 173.24 175.03 3kth s THR 89 N -0.68 2.85 -0.22 6.45 -4.23 -1.06 0.30 115.64 119.05 3kth s THR 89 Ca 0.27 -0.99 -0.02 0.00 -1.18 0.00 0.00 61.69 59.76 3kth s THR 89 Cb -0.17 -2.15 0.07 0.00 1.34 0.00 0.00 72.50 71.58 3kth s THR 89 CO 0.15 0.46 0.03 -0.63 -0.54 0.00 0.00 174.62 174.09 3kth s ILE 90 N -0.83 0.71 -0.36 2.99 1.09 -1.06 0.09 121.20 123.83 3kth s ILE 90 Ca 0.13 -0.77 -0.29 0.00 -1.10 0.00 0.00 60.65 58.62 3kth s ILE 90 Cb -0.10 -1.23 0.01 0.00 -1.06 0.00 0.00 42.46 40.07 3kth s ILE 90 CO 0.03 -0.26 1.34 0.00 -0.10 0.00 0.00 174.94 175.96 3kth s ILE 92 N 4.86 2.81 0.00 0.00 2.07 -0.03 -2.73 121.20 128.19 3kth s ILE 92 Ca 0.58 -0.89 0.00 0.00 -1.41 0.00 0.00 60.65 58.93 3kth s ILE 92 Cb -0.15 -2.35 0.00 0.00 0.13 0.00 0.00 42.46 40.10 3kth s ILE 92 CO 0.28 0.32 0.00 0.61 -1.91 0.00 0.00 174.94 174.24 3kth n GLY 93 N 4.69 1.89 3.46 1.50 0.00 -1.26 -4.04 105.19 111.41 3kth n GLY 93 Ca -0.18 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 0.63 -0.19 1.61 -2.45 -1.26 -1.85 119.30 115.78 3kth s MET 94 Ca 0.00 0.83 -0.03 0.00 -1.25 0.00 0.00 55.69 55.24 3kth s MET 94 Cb 0.00 0.25 0.06 0.00 1.25 0.00 0.00 34.83 36.40 3kth s MET 94 CO 0.00 -0.10 0.05 0.00 1.05 0.00 0.00 175.02 176.03 3kth s ALA 95 N 0.59 0.86 0.27 4.11 0.00 -0.66 0.00 121.76 126.93 3kth s ALA 95 Ca -0.02 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.37 3kth s ALA 95 Cb -0.05 -1.16 -0.06 0.00 0.00 0.00 0.00 23.12 21.86 3kth s ALA 95 CO -0.03 -1.20 -0.05 0.00 0.00 0.00 0.00 175.76 174.48 3kth s ALA 96 N 1.93 2.21 0.00 0.00 0.00 -0.50 -1.80 121.76 123.60 3kth s ALA 96 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.10 3kth s ALA 96 Cb -0.17 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3kth s ALA 96 CO -0.09 -0.11 0.00 0.45 0.00 0.00 0.00 175.76 176.00 3kth n SER 97 N -0.54 0.00 -0.34 0.00 2.88 -0.86 0.19 113.62 114.94 3kth n SER 97 Ca -0.05 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.69 3kth n SER 97 Cb 0.63 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.54 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 0.47 -0.41 -1.46 2.07 -1.89 0.45 114.93 114.16 3kth h MET 98 Ca 0.00 -0.03 0.08 0.00 -2.07 0.00 0.00 59.70 57.68 3kth h MET 98 Cb 0.00 -0.11 -0.07 0.00 -1.87 0.00 0.00 31.60 29.55 3kth h MET 98 CO 0.00 0.31 -0.07 0.78 1.07 0.00 0.00 176.91 179.00 3kth h GLY 99 N 0.48 0.34 0.91 8.32 0.00 -0.53 0.49 103.07 113.07 3kth h GLY 99 Ca 0.63 0.11 0.01 0.00 0.00 0.00 0.00 47.33 48.08 3kth h GLY 99 CO -0.39 -0.14 0.11 0.00 0.00 0.00 0.00 176.54 176.12 3kth h ALA 100 N 1.40 0.26 -0.26 3.60 0.00 -0.74 -1.65 119.26 121.86 3kth h ALA 100 Ca 0.20 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3kth h ALA 100 Cb 0.30 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 3kth h ALA 100 CO -0.40 -0.30 -0.41 0.35 0.00 0.00 0.00 179.25 178.49 3kth h PHE 101 N 0.23 -1.18 -0.97 0.00 3.57 -0.20 -0.58 116.94 117.80 3kth h PHE 101 Ca 0.09 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.73 3kth h PHE 101 Cb 0.02 0.56 -0.07 0.00 2.79 0.00 0.00 35.95 39.25 3kth h PHE 101 CO -0.09 -0.45 0.62 -0.07 -2.23 0.00 0.00 178.31 176.09 3kth h LEU 102 N -0.40 0.94 -0.71 0.59 3.38 0.19 -0.39 115.31 118.91 3kth h LEU 102 Ca 0.11 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.17 3kth h LEU 102 Cb 0.60 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 3kth h LEU 102 CO -0.48 0.56 0.40 0.25 0.09 0.00 0.00 178.44 179.27 3kth h LEU 103 N 1.05 0.59 -1.15 1.67 5.85 -0.18 -1.19 115.31 121.95 3kth h LEU 103 Ca 0.44 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.20 3kth h LEU 103 Cb 0.32 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3kth h LEU 103 CO -0.20 0.37 0.00 0.00 -0.34 0.00 0.00 178.44 178.28 3kth h ALA 104 N 1.37 1.00 0.00 1.25 0.00 -0.10 -2.82 119.26 119.96 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 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kth h ALA 104 CO -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.02 3kth n ALA 105 N -1.99 2.32 -1.53 0.00 0.00 -0.46 -4.87 120.51 113.98 3kth n ALA 105 Ca 0.01 -0.04 -0.37 0.00 0.00 0.00 0.00 53.44 53.05 3kth n ALA 105 Cb 0.29 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.36 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 1.31 -0.20 3.60 0.00 0.00 -1.07 -4.77 105.19 104.06 3kth n GLY 106 Ca 0.05 -0.23 -0.58 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.59 0.83 -1.62 1.61 4.07 0.27 -4.77 120.64 119.44 3kth n GLU 107 Ca 0.14 0.29 -0.55 0.00 -0.06 0.00 0.00 57.16 56.98 3kth n GLU 107 Cb 0.48 -2.02 -0.07 0.00 -0.06 0.00 0.00 31.44 29.78 3kth n GLU 107 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3kth n LYS 108 N 6.08 1.01 0.00 5.31 3.00 -1.26 -0.38 118.16 131.92 3kth n LYS 108 Ca 0.34 0.37 0.00 0.00 -0.00 0.00 0.00 58.31 59.02 3kth n LYS 108 Cb 0.10 -2.00 0.00 0.00 0.00 0.00 0.00 35.03 33.13 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 2.94 2.38 1.50 3.14 0.00 -1.26 -4.89 105.19 109.01 3kth n GLY 109 Ca 0.21 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 -1.60 1.69 -3.48 1.61 5.02 0.49 -4.91 118.16 116.98 3kth n LYS 110 Ca 0.00 -3.22 -0.42 0.00 -2.02 0.00 0.00 58.31 52.65 3kth n LYS 110 Cb 0.00 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 33.57 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 -2.61 2.75 0.47 1.97 0.52 -1.25 -2.57 118.95 118.24 3kth s ARG 111 Ca 0.38 -1.91 0.08 0.00 -0.52 0.00 0.00 55.73 53.77 3kth s ARG 111 Cb 0.38 -4.06 0.03 0.00 0.52 0.00 0.00 34.95 31.81 3kth s ARG 111 CO -0.06 -1.24 0.57 0.71 0.02 0.00 0.00 175.30 175.29 3kth s TYR 112 N 1.14 2.27 -0.18 -0.53 1.51 0.11 0.27 117.35 121.94 3kth s TYR 112 Ca 0.08 -0.56 -0.25 0.00 -1.01 0.00 0.00 57.07 55.33 3kth s TYR 112 Cb -0.25 -2.23 0.06 0.00 -0.11 0.00 0.00 41.96 39.43 3kth s TYR 112 CO -0.01 -0.56 0.65 0.00 -1.11 0.00 0.00 175.55 174.52 3kth s ALA 113 N -2.51 -1.63 0.58 3.71 0.00 -1.09 -1.33 121.76 119.48 3kth s ALA 113 Ca 0.53 1.64 -0.09 0.00 0.00 0.00 0.00 51.96 54.03 3kth s ALA 113 Cb -0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 3kth s ALA 113 CO 0.32 -0.33 0.95 -0.51 0.00 0.00 0.00 175.76 176.20 3kth s LEU 114 N -0.16 3.35 0.11 0.00 1.43 -1.10 -1.99 118.68 120.32 3kth s LEU 114 Ca -0.04 1.25 -0.22 0.00 -1.03 0.00 0.00 54.13 54.09 3kth s LEU 114 Cb -0.03 -4.26 -0.05 0.00 0.03 0.00 0.00 46.19 41.88 3kth s LEU 114 CO 0.04 -0.79 1.11 -2.65 0.23 0.00 0.00 176.35 174.29 3kth n PRO 115 N -2.59 -0.31 -0.68 1.29 -0.02 -1.25 -0.99 135.00 130.44 3kth n PRO 115 Ca 0.04 1.09 0.05 0.00 -2.02 0.00 0.00 63.50 62.66 3kth n PRO 115 Cb 0.54 -1.60 0.30 0.00 -0.02 0.00 0.00 33.50 32.73 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 -4.83 4.54 -4.69 2.55 4.13 -1.26 -4.52 115.26 111.18 3kth n ASN 116 Ca 0.01 -2.70 -0.31 0.00 1.68 0.00 0.00 54.58 53.26 3kth n ASN 116 Cb 0.18 -0.64 0.15 0.00 -1.54 0.00 0.00 39.78 37.93 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 -0.58 3.25 0.01 6.41 0.01 -0.16 -4.79 113.70 117.84 3kth s SER 117 Ca 0.41 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.62 3kth s SER 117 Cb 0.31 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 64.05 3kth s SER 117 CO 0.12 -2.85 -0.02 -0.70 0.41 0.00 0.00 173.24 170.19 3kth s GLU 118 N -4.74 0.18 -0.02 12.44 2.12 -0.77 -3.35 118.70 124.57 3kth s GLU 118 Ca 0.65 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.77 3kth s GLU 118 Cb -0.21 -0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.12 3kth s GLU 118 CO 0.58 0.01 -0.05 0.08 -0.54 0.00 0.00 175.26 175.34 3kth s VAL 119 N -0.45 0.47 -0.02 3.70 1.01 -0.23 -1.65 120.40 123.23 3kth s VAL 119 Ca -0.04 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3kth s VAL 119 Cb -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.91 3kth s VAL 119 CO -0.00 0.17 -0.07 -0.32 0.00 0.00 0.00 175.10 174.88 3kth s MET 120 N 0.29 0.69 0.15 2.72 0.00 -0.75 0.52 119.30 122.91 3kth s MET 120 Ca -0.03 -0.22 0.08 0.00 0.00 0.00 0.00 55.69 55.52 3kth s MET 120 Cb -0.07 -0.67 -0.04 0.00 0.00 0.00 0.00 34.83 34.05 3kth s MET 120 CO -0.00 0.09 -0.19 0.96 0.00 0.00 0.00 175.02 175.87 3kth s ILE 121 N 0.17 1.79 0.05 10.11 -4.36 -0.81 -2.04 121.20 126.10 3kth s ILE 121 Ca -0.02 -1.80 -0.28 0.00 -0.26 0.00 0.00 60.65 58.29 3kth s ILE 121 Cb -0.07 -1.76 0.09 0.00 1.25 0.00 0.00 42.46 41.98 3kth s ILE 121 CO -0.00 -0.24 1.07 -1.38 0.24 0.00 0.00 174.94 174.63 3kth s HIS 122 N -1.78 -0.14 0.64 1.37 -3.43 -1.26 -1.71 115.29 108.99 3kth s HIS 122 Ca 0.13 -0.06 -0.13 0.00 -0.80 0.00 0.00 55.06 54.20 3kth s HIS 122 Cb -0.07 0.59 -0.02 0.00 -1.43 0.00 0.00 32.58 31.65 3kth s HIS 122 CO 0.06 -0.56 1.05 1.14 -2.00 0.00 0.00 174.74 174.42 3kth s GLN 123 N -2.93 3.24 0.64 -0.38 -2.07 -0.15 -4.94 119.66 113.07 3kth s GLN 123 Ca 0.11 0.99 -0.18 0.00 -1.82 0.00 0.00 55.36 54.47 3kth s GLN 123 Cb 0.01 -2.03 -0.03 0.00 -1.09 0.00 0.00 33.01 29.86 3kth s GLN 123 CO -0.02 -0.86 0.97 -2.30 -1.32 0.00 0.00 175.29 171.76 3kth n PRO 124 N -2.63 0.80 -4.75 9.60 -0.02 -1.26 -5.05 135.00 131.70 3kth n PRO 124 Ca 0.08 0.32 -0.31 0.00 -2.02 0.00 0.00 63.50 61.57 3kth n PRO 124 Cb 0.53 -2.20 -0.13 0.00 -0.02 0.00 0.00 33.50 31.68 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 -2.40 2.45 0.00 2.45 1.43 -1.26 -5.11 118.68 116.24 3kth s LEU 125 Ca 0.76 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 3kth s LEU 125 Cb -0.39 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.40 3kth s LEU 125 CO 0.47 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.91 3kth n GLY 126 N 1.63 1.70 3.61 -3.19 0.00 -1.26 -5.03 105.19 102.66 3kth n GLY 126 Ca -0.16 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.19 -0.46 0.22 -0.02 0.00 -1.26 -5.17 107.32 99.43 3kth s GLY 127 Ca 0.00 2.02 0.10 0.00 0.00 0.00 0.00 44.72 46.84 3kth s GLY 127 CO 0.00 1.58 -0.14 0.00 0.00 0.00 0.00 173.10 174.55 3kth s ALA 128 N -0.01 2.84 -0.30 3.20 0.00 -1.26 -5.06 121.76 121.18 3kth s ALA 128 Ca -0.02 -1.62 -0.11 0.00 0.00 0.00 0.00 51.96 50.21 3kth s ALA 128 Cb -0.04 -0.55 0.13 0.00 0.00 0.00 0.00 23.12 22.66 3kth s ALA 128 CO 0.01 0.39 0.72 -1.14 0.00 0.00 0.00 175.76 175.74 3kth s GLN 129 N -3.06 0.53 0.00 0.00 2.00 -1.26 -5.04 119.66 112.82 3kth s GLN 129 Ca 0.26 1.30 0.00 0.00 -2.00 0.00 0.00 55.36 54.92 3kth s GLN 129 Cb -0.07 0.75 0.00 0.00 0.80 0.00 0.00 33.01 34.49 3kth s GLN 129 CO 0.15 -0.18 0.00 0.41 -0.50 0.00 0.00 175.29 175.17 3kth n GLY 130 N 5.28 0.45 3.80 2.59 0.00 -1.26 -4.84 105.19 111.22 3kth n GLY 130 Ca -0.12 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.47 3.57 0.23 1.61 -0.21 -1.26 -4.79 119.66 117.34 3kth s GLN 131 Ca 0.00 1.24 -0.17 0.00 0.02 0.00 0.00 55.36 56.45 3kth s GLN 131 Cb 0.00 -2.07 0.25 0.00 1.00 0.00 0.00 33.01 32.20 3kth s GLN 131 CO 0.00 -0.61 1.56 0.00 -2.12 0.00 0.00 175.29 174.11 3kth h ALA 132 N 0.93 0.19 -0.02 6.09 0.00 -1.99 0.28 119.26 124.74 3kth h ALA 132 Ca -0.48 0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3kth h ALA 132 Cb 1.22 0.98 -0.05 0.00 0.00 0.00 0.00 17.79 19.93 3kth h ALA 132 CO 0.58 -0.61 -0.47 1.15 0.00 0.00 0.00 179.25 179.91 3kth h THR 133 N -0.01 0.00 -0.87 0.00 2.02 -1.99 -0.52 112.91 111.54 3kth h THR 133 Ca 0.35 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.75 3kth h THR 133 Cb 0.61 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.88 3kth h THR 133 CO -0.97 0.00 0.29 -0.33 0.37 0.00 0.00 175.52 174.88 3kth h GLU 134 N -0.57 0.28 -0.58 6.66 5.08 -0.88 0.20 114.58 124.77 3kth h GLU 134 Ca 0.01 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3kth h GLU 134 Cb 0.62 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3kth h GLU 134 CO -0.32 0.18 0.01 0.82 -1.00 0.00 0.00 179.01 178.70 3kth h ILE 135 N 0.29 1.26 -0.47 3.13 2.04 -0.30 -2.02 117.51 121.44 3kth h ILE 135 Ca 0.54 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 3kth h ILE 135 Cb 1.05 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3kth h ILE 135 CO -0.59 0.40 0.17 -0.08 0.00 0.00 0.00 178.15 178.05 3kth h GLU 136 N 0.91 0.72 -0.87 2.37 4.81 0.88 0.25 114.58 123.66 3kth h GLU 136 Ca 0.17 -0.14 0.11 0.00 -0.13 0.00 0.00 59.36 59.37 3kth h GLU 136 Cb 0.52 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.71 3kth h GLU 136 CO 0.03 0.67 0.50 0.82 -0.73 0.00 0.00 179.01 180.29 3kth h ILE 137 N 0.62 0.87 -0.09 2.32 1.08 -0.51 0.15 117.51 121.96 3kth h ILE 137 Ca 0.15 -0.27 -0.18 0.00 -0.39 0.00 0.00 64.86 64.17 3kth h ILE 137 Cb 0.24 0.01 0.01 0.00 -3.07 0.00 0.00 36.82 34.00 3kth h ILE 137 CO -0.01 0.14 -0.64 0.00 -0.69 0.00 0.00 178.15 176.95 3kth h ALA 138 N 1.50 0.20 -0.50 1.87 0.00 -0.74 -2.51 119.26 119.07 3kth h ALA 138 Ca 0.43 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3kth h ALA 138 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kth h ALA 138 CO -0.28 0.48 0.27 0.00 0.00 0.00 0.00 179.25 179.72 3kth h ALA 139 N 0.46 0.64 -0.97 0.00 0.00 0.07 -0.88 119.26 118.57 3kth h ALA 139 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kth h ALA 139 Cb 1.30 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 3kth h ALA 139 CO 0.13 0.16 0.61 0.87 0.00 0.00 0.00 179.25 181.02 3kth h LYS 140 N 0.66 1.30 0.81 0.00 1.57 -0.76 -1.89 116.57 118.25 3kth h LYS 140 Ca 0.17 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3kth h LYS 140 Cb 0.05 -0.28 0.01 0.00 0.08 0.00 0.00 32.23 32.09 3kth h LYS 140 CO -0.03 0.89 -0.39 -0.09 -0.57 0.00 0.00 179.45 179.27 3kth h ARG 141 N 1.33 -1.04 -0.81 3.15 2.43 -0.94 -2.69 114.38 115.81 3kth h ARG 141 Ca 0.35 0.07 0.15 0.00 -0.81 0.00 0.00 59.98 59.74 3kth h ARG 141 Cb -0.09 0.24 -0.10 0.00 -0.42 0.00 0.00 29.97 29.60 3kth h ARG 141 CO -0.07 -0.70 0.38 0.97 -1.51 0.00 0.00 179.97 179.05 3kth h ILE 142 N -1.26 0.69 -0.76 1.20 2.10 -1.13 -0.35 117.51 118.00 3kth h ILE 142 Ca -0.11 -0.19 0.06 0.00 1.08 0.00 0.00 64.86 65.71 3kth h ILE 142 Cb 0.83 0.10 -0.06 0.00 -1.09 0.00 0.00 36.82 36.60 3kth h ILE 142 CO 0.18 0.10 0.44 -0.07 -1.08 0.00 0.00 178.15 177.72 3kth h LEU 143 N 0.54 0.68 -0.43 2.19 3.38 -1.32 0.29 115.31 120.64 3kth h LEU 143 Ca 0.45 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.39 3kth h LEU 143 Cb 0.66 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3kth h LEU 143 CO -0.39 0.43 0.05 -0.07 0.09 0.00 0.00 178.44 178.56 3kth h LEU 144 N 0.81 0.69 -0.37 1.67 3.38 -0.80 -0.72 115.31 119.96 3kth h LEU 144 Ca 0.34 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3kth h LEU 144 Cb 0.20 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3kth h LEU 144 CO -0.18 0.79 0.05 -0.07 0.09 0.00 0.00 178.44 179.11 3kth h LEU 145 N 0.57 -0.04 0.11 1.67 3.38 0.14 0.86 115.31 121.99 3kth h LEU 145 Ca 0.13 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.18 3kth h LEU 145 Cb 0.40 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3kth h LEU 145 CO 0.01 0.01 -0.23 -0.09 0.09 0.00 0.00 178.44 178.24 3kth h ARG 146 N 0.16 -0.40 -0.50 1.13 2.43 -0.20 -0.41 114.38 116.60 3kth h ARG 146 Ca 0.18 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 3kth h ARG 146 Cb 0.23 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 3kth h ARG 146 CO -0.26 -0.27 0.21 0.22 -1.51 0.00 0.00 179.97 178.36 3kth h ASP 147 N -0.42 0.25 0.09 -3.80 3.58 -0.11 0.03 116.42 116.04 3kth h ASP 147 Ca 0.03 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.54 3kth h ASP 147 Cb 0.44 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 3kth h ASP 147 CO -0.13 0.18 -0.20 0.50 -2.88 0.00 0.00 179.24 176.70 3kth h LYS 148 N 0.41 -0.36 0.06 0.28 3.64 0.12 -2.11 116.57 118.60 3kth h LYS 148 Ca 0.23 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3kth h LYS 148 Cb 0.21 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3kth h LYS 148 CO -0.21 -0.24 -0.06 -0.07 -2.27 0.00 0.00 179.45 176.59 3kth h LEU 149 N -0.38 -0.16 -0.80 5.20 3.38 -0.75 -2.42 115.31 119.39 3kth h LEU 149 Ca 0.03 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.20 3kth h LEU 149 Cb 0.41 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.10 3kth h LEU 149 CO -0.13 -0.10 0.27 0.78 0.09 0.00 0.00 178.44 179.36 3kth h ASN 150 N -0.14 0.17 -0.41 -0.43 2.35 -0.83 0.16 115.58 116.45 3kth h ASN 150 Ca 0.01 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3kth h ASN 150 Cb 0.14 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 3kth h ASN 150 CO -0.02 0.01 0.26 0.11 -1.65 0.00 0.00 177.43 176.13 3kth h LYS 151 N 0.35 0.56 -0.60 0.81 1.57 -1.05 0.17 116.57 118.38 3kth h LYS 151 Ca 0.46 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.26 3kth h LYS 151 Cb 0.81 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 3kth h LYS 151 CO -0.50 0.40 0.32 0.28 -0.57 0.00 0.00 179.45 179.37 3kth h VAL 152 N 0.55 0.95 -0.78 0.50 2.07 -0.31 -1.92 116.25 117.32 3kth h VAL 152 Ca 0.15 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3kth h VAL 152 Cb -0.03 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 3kth h VAL 152 CO -0.03 0.11 0.47 -0.07 0.02 0.00 0.00 177.57 178.07 3kth h LEU 153 N 0.59 0.93 -0.28 2.57 3.38 -0.31 -1.93 115.31 120.26 3kth h LEU 153 Ca 0.27 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.24 3kth h LEU 153 Cb 0.18 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 3kth h LEU 153 CO -0.18 0.72 -0.17 0.00 0.09 0.00 0.00 178.44 178.90 3kth h ALA 154 N 1.25 0.03 0.09 1.53 0.00 -0.20 0.21 119.26 122.17 3kth h ALA 154 Ca 0.28 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.30 3kth h ALA 154 Cb -0.04 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kth h ALA 154 CO -0.05 -0.57 -0.11 0.93 0.00 0.00 0.00 179.25 179.44 3kth h GLU 155 N -0.14 -0.23 -0.86 0.00 5.08 -1.06 0.74 114.58 118.10 3kth h GLU 155 Ca 0.15 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3kth h GLU 155 Cb 0.37 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3kth h GLU 155 CO -0.37 -0.15 0.52 0.00 -1.00 0.00 0.00 179.01 178.01 3kth h ARG 156 N -0.23 1.17 0.08 2.33 2.47 -0.92 -3.29 114.38 116.00 3kth h ARG 156 Ca 0.01 -0.10 -0.29 0.00 -1.26 0.00 0.00 59.98 58.33 3kth h ARG 156 Cb 0.23 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 3kth h ARG 156 CO -0.04 0.82 -1.58 1.79 0.56 0.00 0.00 179.97 181.52 3kth h THR 157 N 1.19 0.84 0.00 2.04 1.35 -0.42 -3.45 112.91 114.46 3kth h THR 157 Ca 0.31 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 3kth h THR 157 Cb -0.05 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 3kth h THR 157 CO -0.06 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 3kth n GLY 158 N 1.74 1.67 3.76 5.82 0.00 0.25 -4.56 105.19 113.86 3kth n GLY 158 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 3.09 0.46 1.61 -1.52 -1.22 -4.98 119.66 116.67 3kth s GLN 159 Ca 0.00 1.81 -0.21 0.00 -1.95 0.00 0.00 55.36 55.01 3kth s GLN 159 Cb 0.00 -1.98 -0.09 0.00 -0.22 0.00 0.00 33.01 30.71 3kth s GLN 159 CO 0.00 -1.11 1.01 -1.25 -0.25 0.00 0.00 175.29 173.69 3kth s PRO 160 N -3.27 3.97 0.22 2.91 0.04 -1.26 -4.53 135.00 133.08 3kth s PRO 160 Ca 0.76 1.30 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 3kth s PRO 160 Cb -0.30 -2.17 0.24 0.00 0.04 0.00 0.00 34.50 32.31 3kth s PRO 160 CO 0.33 -0.28 1.60 1.25 0.04 0.00 0.00 177.00 179.94 3kth h LEU 161 N 1.77 -0.84 -0.98 -3.56 5.85 -1.93 -0.21 115.31 115.41 3kth h LEU 161 Ca -0.49 0.22 0.24 0.00 0.84 0.00 0.00 57.88 58.69 3kth h LEU 161 Cb 1.21 0.50 -0.18 0.00 0.37 0.00 0.00 40.66 42.55 3kth h LEU 161 CO 0.60 -0.26 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.03 3kth h GLU 162 N -0.05 0.01 0.43 1.25 4.39 -1.99 0.46 114.58 119.08 3kth h GLU 162 Ca 0.31 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 3kth h GLU 162 Cb 0.54 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3kth h GLU 162 CO -0.74 0.00 -0.21 0.28 -1.16 0.00 0.00 179.01 177.19 3kth h VAL 163 N 0.01 0.54 -0.82 3.13 2.07 -1.41 -2.48 116.25 117.30 3kth h VAL 163 Ca 0.55 -0.32 0.16 0.00 0.82 0.00 0.00 66.70 67.91 3kth h VAL 163 Cb 1.03 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 31.38 3kth h VAL 163 CO -0.95 0.06 0.36 0.40 0.02 0.00 0.00 177.57 177.45 3kth h ILE 164 N -0.78 0.62 0.73 4.57 1.08 -0.87 0.21 117.51 123.07 3kth h ILE 164 Ca -0.06 -0.16 -0.03 0.00 -0.39 0.00 0.00 64.86 64.21 3kth h ILE 164 Cb 0.54 0.10 -0.00 0.00 -3.07 0.00 0.00 36.82 34.39 3kth h ILE 164 CO 0.10 0.09 -0.45 -0.33 -0.69 0.00 0.00 178.15 176.86 3kth h GLU 165 N 0.48 -1.07 -0.40 2.37 5.08 -0.88 -1.74 114.58 118.43 3kth h GLU 165 Ca 0.47 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.89 3kth h GLU 165 Cb 0.75 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3kth h GLU 165 CO -0.43 -0.71 0.19 -0.09 -1.00 0.00 0.00 179.01 176.97 3kth h ARG 166 N -1.11 0.55 0.00 2.33 2.43 -1.03 -2.83 114.38 114.73 3kth h ARG 166 Ca -0.10 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 3kth h ARG 166 Cb 0.89 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3kth h ARG 166 CO 0.10 0.43 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.42 3kth h ASP 167 N 0.55 0.00 -0.41 -3.80 5.19 -0.44 -3.19 116.42 114.32 3kth h ASP 167 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 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 0.13 0.00 0.35 -3.12 0.00 0.00 179.24 176.58 3kth n THR 168 N -3.21 2.05 -0.16 0.35 -2.24 -0.67 -4.54 114.28 105.86 3kth n THR 168 Ca 0.01 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.30 3kth n THR 168 Cb 0.44 -0.04 0.26 0.00 -2.10 0.00 0.00 70.33 68.89 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 2.71 0.78 -5.27 3.42 -0.00 -1.53 -0.38 116.42 116.16 3kth h ASP 169 Ca 0.00 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.03 56.86 3kth h ASP 169 Cb 1.42 -0.20 -0.15 0.00 -0.00 0.00 0.00 39.33 40.40 3kth h ASP 169 CO 0.23 0.60 -0.63 -0.13 -0.00 0.00 0.00 179.24 179.32 3kth s ARG 170 N -5.67 0.72 -0.29 0.28 0.52 -1.26 -4.70 118.95 108.54 3kth s ARG 170 Ca -0.10 -1.23 -0.44 0.00 -0.52 0.00 0.00 55.73 53.44 3kth s ARG 170 Cb 0.17 0.24 -0.20 0.00 0.52 0.00 0.00 34.95 35.68 3kth s ARG 170 CO 0.78 -0.17 1.42 -0.25 0.02 0.00 0.00 175.30 177.10 3kth n ASP 171 N 0.04 0.92 -4.08 0.23 8.00 -1.26 -4.80 116.55 115.60 3kth n ASP 171 Ca -0.12 1.17 -0.32 0.00 0.71 0.00 0.00 54.79 56.22 3kth n ASP 171 Cb 0.62 -0.93 -0.15 0.00 -0.02 0.00 0.00 41.12 40.64 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 1.93 4.52 -0.16 -2.24 3.04 -0.69 -5.02 114.94 116.32 3kth s ASN 172 Ca 0.99 -1.41 -0.13 0.00 0.04 0.00 0.00 52.86 52.35 3kth s ASN 172 Cb -1.37 -1.57 -0.05 0.00 -1.54 0.00 0.00 41.25 36.72 3kth s ASN 172 CO 0.71 -0.21 0.26 -0.36 -3.04 0.00 0.00 177.10 174.46 3kth s PHE 173 N 1.11 3.47 0.04 0.43 0.08 -1.26 -1.92 117.98 119.93 3kth s PHE 173 Ca -0.08 0.56 0.06 0.00 0.12 0.00 0.00 56.93 57.59 3kth s PHE 173 Cb -0.20 -2.29 -0.02 0.00 -0.57 0.00 0.00 43.02 39.94 3kth s PHE 173 CO -0.05 0.29 -0.16 0.15 -0.10 0.00 0.00 175.22 175.35 3kth s LYS 174 N 0.32 1.02 0.78 0.44 1.02 0.19 -5.00 119.74 118.51 3kth s LYS 174 Ca 0.15 -0.83 -0.09 0.00 0.02 0.00 0.00 55.97 55.23 3kth s LYS 174 Cb -0.13 -1.07 0.10 0.00 -0.52 0.00 0.00 37.83 36.22 3kth s LYS 174 CO 0.03 0.26 1.11 -1.54 -0.92 0.00 0.00 175.35 174.30 3kth s SER 175 N -1.22 4.36 0.14 2.83 1.04 -1.26 -1.07 113.70 118.52 3kth s SER 175 Ca 0.03 0.41 -0.21 0.00 0.48 0.00 0.00 55.95 56.65 3kth s SER 175 Cb -0.08 -0.87 0.02 0.00 0.10 0.00 0.00 66.02 65.18 3kth s SER 175 CO 0.02 -1.92 1.66 0.00 0.98 0.00 0.00 173.24 173.97 3kth h ALA 176 N -0.90 -0.02 0.02 5.32 0.00 -1.78 0.40 119.26 122.30 3kth h ALA 176 Ca -0.44 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3kth h ALA 176 Cb 1.30 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3kth h ALA 176 CO 0.55 -0.59 -0.01 0.93 0.00 0.00 0.00 179.25 180.13 3kth h GLU 177 N -0.17 -0.03 -0.76 0.00 3.07 -1.92 0.26 114.58 115.02 3kth h GLU 177 Ca 0.13 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 59.13 3kth h GLU 177 Cb 0.36 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.23 3kth h GLU 177 CO -0.32 -0.00 0.51 0.93 -1.40 0.00 0.00 179.01 178.72 3kth h GLU 178 N -0.05 0.44 -0.19 2.33 5.08 -1.79 0.23 114.58 120.63 3kth h GLU 178 Ca -0.00 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 3kth h GLU 178 Cb 0.04 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3kth h GLU 178 CO 0.01 0.29 -0.64 0.00 -1.00 0.00 0.00 179.01 177.67 3kth h ALA 179 N 1.64 0.51 -0.15 3.43 0.00 0.92 -1.32 119.26 124.29 3kth h ALA 179 Ca 0.37 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3kth h ALA 179 Cb 0.80 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3kth h ALA 179 CO -0.13 0.70 0.05 1.25 0.00 0.00 0.00 179.25 181.12 3kth h LEU 180 N 0.51 0.22 -0.85 0.00 5.85 0.23 -2.12 115.31 119.15 3kth h LEU 180 Ca -0.01 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3kth h LEU 180 Cb 1.23 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3kth h LEU 180 CO 0.13 0.35 0.54 -0.33 -0.34 0.00 0.00 178.44 178.79 3kth h GLU 181 N 0.08 1.00 0.00 1.25 5.08 -0.63 -2.07 114.58 119.30 3kth h GLU 181 Ca 0.05 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3kth h GLU 181 Cb 0.20 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3kth h GLU 181 CO -0.00 0.66 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.61 3kth h TYR 182 N 1.03 0.00 0.00 4.33 3.20 -1.08 -3.46 116.97 120.98 3kth h TYR 182 Ca 0.35 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3kth h TYR 182 Cb 0.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3kth h TYR 182 CO -0.03 0.15 0.00 0.41 -1.64 0.00 0.00 178.16 177.05 3kth n GLY 183 N -0.26 1.04 0.14 1.82 0.00 -0.78 -4.65 105.19 102.51 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 0.68 -9.75 0.99 3.38 -1.59 -3.35 115.31 105.66 3kth h LEU 184 Ca 0.00 -0.93 -0.62 0.00 0.09 0.00 0.00 57.88 56.41 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 1.77 -0.57 0.27 0.09 0.00 0.00 178.44 180.00 3kth s ILE 185 N -2.58 1.97 -0.12 1.22 -4.36 -1.22 -4.35 121.20 111.76 3kth s ILE 185 Ca -0.14 -1.94 0.05 0.00 -0.26 0.00 0.00 60.65 58.36 3kth s ILE 185 Cb 0.05 -2.91 -0.11 0.00 1.25 0.00 0.00 42.46 40.74 3kth s ILE 185 CO 0.88 0.00 -0.05 0.47 0.24 0.00 0.00 174.94 176.48 3kth n ASP 186 N -1.06 2.69 -3.70 4.36 8.00 0.14 -4.64 116.55 122.34 3kth n ASP 186 Ca -0.06 -0.04 -0.12 0.00 0.71 0.00 0.00 54.79 55.28 3kth n ASP 186 Cb 0.66 0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 41.95 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 -2.26 0.88 -0.33 -1.24 2.20 -1.22 -5.05 119.74 112.72 3kth s LYS 187 Ca -0.12 -0.43 -0.08 0.00 -0.36 0.00 0.00 55.97 54.98 3kth s LYS 187 Cb 0.04 0.39 0.02 0.00 -1.51 0.00 0.00 37.83 36.77 3kth s LYS 187 CO 0.37 -0.30 0.12 0.42 -0.36 0.00 0.00 175.35 175.60 3kth s ILE 188 N -2.55 4.08 0.46 5.43 1.01 -1.26 -2.69 121.20 125.68 3kth s ILE 188 Ca -0.05 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.51 3kth s ILE 188 Cb -0.01 -3.22 -0.08 0.00 0.01 0.00 0.00 42.46 39.17 3kth s ILE 188 CO -0.03 -0.08 1.13 -0.76 0.00 0.00 0.00 174.94 175.20 3kth s LEU 189 N 1.49 4.00 -0.04 2.97 1.43 -0.84 -4.92 118.68 122.75 3kth s LEU 189 Ca 0.01 2.22 -0.01 0.00 -1.03 0.00 0.00 54.13 55.32 3kth s LEU 189 Cb -0.18 -4.29 -0.02 0.00 0.03 0.00 0.00 46.19 41.73 3kth s LEU 189 CO 0.04 -0.87 -0.05 1.07 0.23 0.00 0.00 176.35 176.77 3kth n THR 190 N -0.53 0.25 -3.13 5.49 5.66 -1.26 -3.97 114.28 116.79 3kth n THR 190 Ca 0.07 -0.08 0.04 0.00 -3.05 0.00 0.00 64.05 61.03 3kth n THR 190 Cb 0.49 -1.09 -0.00 0.00 -1.55 0.00 0.00 70.33 68.18 3kth n THR 190 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 3kth s HIS 191 N -2.09 -1.39 -2.00 1.09 -3.43 -1.26 -5.05 115.29 101.17 3kth s HIS 191 Ca -0.06 0.67 0.30 0.00 -0.80 0.00 0.00 55.06 55.17 3kth s HIS 191 Cb 0.02 0.24 1.81 0.00 -1.43 0.00 0.00 32.58 33.22 3kth s HIS 191 CO 0.09 -0.84 2.14 1.28 -2.00 0.00 0.00 174.74 175.41