#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktg s PRO 4 N 0.00 2.58 0.12 9.51 0.04 -1.26 -4.84 135.00 141.16 3ktg s PRO 4 Ca 0.00 0.42 0.06 0.00 0.04 0.00 0.00 61.00 61.52 3ktg s PRO 4 Cb 0.00 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3ktg s PRO 4 CO 0.00 -1.22 -0.03 0.95 0.04 0.00 0.00 177.00 176.74 3ktg s THR 5 N -3.37 3.73 -0.25 1.26 -4.23 -1.26 -0.93 115.64 110.59 3ktg s THR 5 Ca 0.59 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.91 3ktg s THR 5 Cb -0.11 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 70.99 3ktg s THR 5 CO 0.52 0.05 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.88 3ktg s VAL 6 N -1.40 1.78 -0.19 2.29 1.01 0.41 -4.88 120.40 119.40 3ktg s VAL 6 Ca 0.25 -1.40 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 3ktg s VAL 6 Cb -0.11 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 3ktg s VAL 6 CO 0.17 -0.09 0.17 0.27 0.00 0.00 0.00 175.10 175.62 3ktg s ILE 7 N 1.28 5.39 -0.39 2.22 -4.36 -1.26 -1.21 121.20 122.86 3ktg s ILE 7 Ca -0.07 0.27 0.01 0.00 -0.26 0.00 0.00 60.65 60.61 3ktg s ILE 7 Cb -0.19 -3.51 0.13 0.00 1.25 0.00 0.00 42.46 40.13 3ktg s ILE 7 CO -0.06 0.43 0.19 0.00 0.24 0.00 0.00 174.94 175.74 3ktg s ALA 16 N 0.40 1.91 0.47 2.27 0.00 -1.26 -5.23 121.76 120.32 3ktg s ALA 16 Ca 0.10 -2.28 0.09 0.00 0.00 0.00 0.00 51.96 49.86 3ktg s ALA 16 Cb -0.11 -1.80 0.04 0.00 0.00 0.00 0.00 23.12 21.24 3ktg s ALA 16 CO -0.01 -1.95 0.64 0.71 0.00 0.00 0.00 175.76 175.16 3ktg s TYR 17 N 0.77 2.31 0.22 0.00 2.02 -0.35 -5.11 117.35 117.20 3ktg s TYR 17 Ca 0.15 -0.52 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 3ktg s TYR 17 Cb -0.22 -2.31 -0.04 0.00 -0.40 0.00 0.00 41.96 38.99 3ktg s TYR 17 CO -0.07 -0.67 0.38 0.16 -1.57 0.00 0.00 175.55 173.79 3ktg s ASP 18 N -4.45 6.35 0.33 2.29 1.47 -1.26 -0.44 116.67 120.95 3ktg s ASP 18 Ca 0.57 0.30 0.12 0.00 1.18 0.00 0.00 52.55 54.72 3ktg s ASP 18 Cb -0.08 -1.96 1.02 0.00 -0.34 0.00 0.00 42.92 41.56 3ktg s ASP 18 CO 0.35 -0.06 1.65 -0.29 0.68 0.00 0.00 175.17 177.49 3ktg h ILE 19 N 1.39 0.26 -0.07 2.11 6.09 -1.36 0.34 117.51 126.26 3ktg h ILE 19 Ca -0.49 -0.09 -0.15 0.00 -1.37 0.00 0.00 64.86 62.77 3ktg h ILE 19 Cb 1.20 -0.02 -0.01 0.00 0.47 0.00 0.00 36.82 38.46 3ktg h ILE 19 CO 0.66 0.05 -0.60 1.88 -3.07 0.00 0.00 178.15 177.06 3ktg h TYR 20 N 0.25 0.31 -0.39 2.19 0.05 -1.94 -2.60 116.97 114.84 3ktg h TYR 20 Ca 0.70 -0.12 -0.09 0.00 0.05 0.00 0.00 58.73 59.27 3ktg h TYR 20 Cb 1.60 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 39.27 3ktg h TYR 20 CO -0.08 0.78 -0.10 0.77 -1.05 0.00 0.00 178.16 178.48 3ktg h SER 21 N 0.18 0.77 -0.40 3.88 0.02 -0.78 0.29 113.55 117.52 3ktg h SER 21 Ca -0.01 -0.37 0.05 0.00 -0.84 0.00 0.00 61.79 60.63 3ktg h SER 21 Cb 1.11 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.39 3ktg h SER 21 CO 0.09 0.96 0.12 -0.09 -1.14 0.00 0.00 176.83 176.77 3ktg h ARG 22 N 0.57 0.26 0.00 3.45 9.65 -1.01 -0.95 114.38 126.35 3ktg h ARG 22 Ca 0.10 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.87 3ktg h ARG 22 Cb 0.63 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 3ktg h ARG 22 CO 0.04 0.17 -0.45 -0.07 2.80 0.00 0.00 179.97 182.45 3ktg h LEU 23 N 0.26 0.00 -1.68 3.80 4.07 -1.33 -2.10 115.31 118.33 3ktg h LEU 23 Ca 0.19 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.11 3ktg h LEU 23 Cb 0.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 3ktg h LEU 23 CO -0.22 0.45 -0.18 0.25 -1.08 0.00 0.00 178.44 177.67 3ktg h LEU 24 N 0.00 0.00 -1.62 1.67 5.85 0.36 -0.27 115.31 121.30 3ktg h LEU 24 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ktg h LEU 24 Cb 0.83 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 3ktg h LEU 24 CO 0.06 0.18 -0.01 0.50 -0.34 0.00 0.00 178.44 178.83 3ktg h LYS 25 N 0.00 0.00 -0.63 1.25 3.64 -0.58 -1.55 116.57 118.69 3ktg h LYS 25 Ca -0.00 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 3ktg h LYS 25 Cb 0.35 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.07 3ktg h LYS 25 CO 0.02 0.01 0.18 -0.25 -2.27 0.00 0.00 179.45 177.15 3ktg n ASP 26 N -3.11 4.67 -3.51 4.20 10.43 -0.22 -4.92 116.55 124.09 3ktg n ASP 26 Ca 0.00 -3.21 -0.25 0.00 2.57 0.00 0.00 54.79 53.91 3ktg n ASP 26 Cb 0.28 -0.71 0.06 0.00 1.84 0.00 0.00 41.12 42.59 3ktg n ASP 26 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3ktg n ARG 27 N -0.18 -6.60 -4.19 -1.24 1.74 -0.58 -4.89 116.66 100.71 3ktg n ARG 27 Ca 0.37 0.79 -0.34 0.00 -0.77 0.00 0.00 57.85 57.90 3ktg n ARG 27 Cb 1.28 -5.76 -0.15 0.00 -1.02 0.00 0.00 32.46 26.82 3ktg n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ktg s ILE 28 N -3.27 2.69 -0.15 0.55 1.01 -0.54 -1.38 121.20 120.11 3ktg s ILE 28 Ca 0.53 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 3ktg s ILE 28 Cb -0.24 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 3ktg s ILE 28 CO 0.65 0.49 -0.03 -0.63 0.00 0.00 0.00 174.94 175.42 3ktg s ILE 29 N 1.19 3.93 -0.23 2.92 1.01 0.88 -3.35 121.20 127.55 3ktg s ILE 29 Ca 0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 3ktg s ILE 29 Cb -0.14 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 3ktg s ILE 29 CO -0.06 0.50 0.08 -0.04 0.00 0.00 0.00 174.94 175.42 3ktg s MET 30 N 0.30 3.81 -0.46 2.79 -1.94 -1.26 -0.97 119.30 121.56 3ktg s MET 30 Ca -0.03 -0.41 0.04 0.00 -1.71 0.00 0.00 55.69 53.58 3ktg s MET 30 Cb -0.14 -3.31 0.12 0.00 2.01 0.00 0.00 34.83 33.51 3ktg s MET 30 CO 0.03 -0.00 0.20 -1.17 -0.01 0.00 0.00 175.02 174.06 3ktg s LEU 31 N 1.14 4.38 -0.39 -0.03 2.96 0.30 -4.96 118.68 122.07 3ktg s LEU 31 Ca 0.05 -2.75 0.07 0.00 -0.22 0.00 0.00 54.13 51.28 3ktg s LEU 31 Cb -0.14 -1.61 0.44 0.00 0.50 0.00 0.00 46.19 45.37 3ktg s LEU 31 CO 0.04 -0.28 1.12 0.61 -1.32 0.00 0.00 176.35 176.52 3ktg n GLY 32 N 3.46 5.64 3.80 7.98 0.00 -1.24 -0.25 105.19 124.59 3ktg n GLY 32 Ca 0.05 -2.58 -0.08 0.00 0.00 0.00 0.00 46.02 43.41 3ktg n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ktg s SER 33 N -3.53 -0.16 0.61 1.61 1.04 -1.04 -4.86 113.70 107.37 3ktg s SER 33 Ca 0.47 -0.77 -0.19 0.00 0.48 0.00 0.00 55.95 55.94 3ktg s SER 33 Cb 0.40 0.73 -0.02 0.00 0.10 0.00 0.00 66.02 67.23 3ktg s SER 33 CO -0.11 -1.38 1.31 0.00 0.98 0.00 0.00 173.24 174.05 3ktg s ALA 34 N -3.65 2.52 -0.48 5.32 0.00 -1.26 -4.50 121.76 119.71 3ktg s ALA 34 Ca 0.14 1.24 -0.20 0.00 0.00 0.00 0.00 51.96 53.14 3ktg s ALA 34 Cb -0.05 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.56 3ktg s ALA 34 CO 0.08 -1.50 0.67 0.42 0.00 0.00 0.00 175.76 175.43 3ktg s ILE 35 N -1.38 4.80 0.27 0.00 1.01 0.61 -4.85 121.20 121.66 3ktg s ILE 35 Ca 0.79 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.36 3ktg s ILE 35 Cb -0.38 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 37.75 3ktg s ILE 35 CO 0.42 -0.75 -0.00 1.51 0.00 0.00 0.00 174.94 176.12 3ktg s ASP 36 N 2.39 2.21 0.31 3.58 3.84 -1.26 -0.01 116.67 127.73 3ktg s ASP 36 Ca 0.20 -1.25 0.07 0.00 -0.00 0.00 0.00 52.55 51.57 3ktg s ASP 36 Cb -0.16 -0.06 0.89 0.00 -1.38 0.00 0.00 42.92 42.21 3ktg s ASP 36 CO 0.16 -0.49 1.63 0.44 -0.00 0.00 0.00 175.17 176.91 3ktg h ASP 37 N 2.33 0.09 -0.41 2.11 3.45 -1.95 0.14 116.42 122.17 3ktg h ASP 37 Ca -0.39 0.22 -0.02 0.00 0.43 0.00 0.00 57.03 57.27 3ktg h ASP 37 Cb 1.23 0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 40.25 3ktg h ASP 37 CO 0.66 -0.22 0.20 -1.13 -1.57 0.00 0.00 179.24 177.18 3ktg h ASN 38 N 0.18 0.54 -0.50 6.45 -0.73 -1.98 0.21 115.58 119.75 3ktg h ASN 38 Ca 0.64 -0.13 -0.08 0.00 1.87 0.00 0.00 56.30 58.60 3ktg h ASN 38 Cb 1.41 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.84 3ktg h ASN 38 CO -0.70 0.52 -0.01 0.58 -0.37 0.00 0.00 177.43 177.45 3ktg h VAL 39 N 0.53 1.26 -0.63 2.57 2.07 -1.21 -2.33 116.25 118.50 3ktg h VAL 39 Ca 0.14 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 3ktg h VAL 39 Cb 0.12 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3ktg h VAL 39 CO -0.02 0.38 0.36 0.00 0.02 0.00 0.00 177.57 178.32 3ktg h ALA 40 N 0.93 0.81 -0.52 1.67 0.00 -0.51 -1.08 119.26 120.56 3ktg h ALA 40 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ktg h ALA 40 Cb 0.53 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ktg h ALA 40 CO 0.03 0.31 0.17 -0.97 0.00 0.00 0.00 179.25 178.78 3ktg h ASN 41 N 0.86 0.71 -0.18 0.00 -0.00 -0.44 0.51 115.58 117.05 3ktg h ASN 41 Ca 0.23 -0.10 -0.16 0.00 -0.00 0.00 0.00 56.30 56.26 3ktg h ASN 41 Cb 0.01 -0.18 0.00 0.00 -0.00 0.00 0.00 38.32 38.15 3ktg h ASN 41 CO -0.04 0.68 -0.50 -1.28 -0.00 0.00 0.00 177.43 176.29 3ktg h SER 42 N 0.76 0.75 -0.00 1.15 0.87 -0.96 -2.32 113.55 113.80 3ktg h SER 42 Ca 0.18 -0.58 -0.00 0.00 -1.23 0.00 0.00 61.79 60.15 3ktg h SER 42 Cb 0.22 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3ktg h SER 42 CO -0.01 1.20 0.00 0.40 -0.53 0.00 0.00 176.83 177.89 3ktg h ILE 43 N 0.33 1.18 -0.64 2.23 1.08 -0.96 -1.43 117.51 119.30 3ktg h ILE 43 Ca -0.01 -0.52 0.07 0.00 -0.39 0.00 0.00 64.86 64.00 3ktg h ILE 43 Cb 1.12 1.53 -0.06 0.00 -3.07 0.00 0.00 36.82 36.34 3ktg h ILE 43 CO 0.11 0.14 0.33 0.58 -0.69 0.00 0.00 178.15 178.62 3ktg h VAL 44 N -0.22 0.92 0.00 1.67 2.07 -0.96 0.43 116.25 120.16 3ktg h VAL 44 Ca 0.00 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 3ktg h VAL 44 Cb 0.22 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3ktg h VAL 44 CO -0.00 0.11 -0.27 0.28 0.02 0.00 0.00 177.57 177.71 3ktg h SER 45 N 0.60 0.00 -0.07 0.57 0.02 -1.28 -0.25 113.55 113.14 3ktg h SER 45 Ca 0.30 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.05 3ktg h SER 45 Cb 0.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.79 3ktg h SER 45 CO -0.21 0.27 -0.74 1.56 -1.14 0.00 0.00 176.83 176.57 3ktg h GLN 46 N 0.00 0.63 -0.37 3.45 4.20 -0.06 -1.30 115.11 121.66 3ktg h GLN 46 Ca -0.00 -0.58 -0.00 0.00 0.06 0.00 0.00 58.65 58.12 3ktg h GLN 46 Cb 0.49 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3ktg h GLN 46 CO 0.04 1.19 0.22 -0.07 -0.67 0.00 0.00 178.83 179.54 3ktg h LEU 47 N 0.27 0.44 -0.30 1.46 3.38 -0.51 -0.71 115.31 119.34 3ktg h LEU 47 Ca -0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3ktg h LEU 47 Cb 1.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3ktg h LEU 47 CO 0.15 0.36 0.14 -0.07 0.09 0.00 0.00 178.44 179.11 3ktg h LEU 48 N 0.48 0.39 -0.46 1.67 3.38 -1.07 -0.69 115.31 119.01 3ktg h LEU 48 Ca 0.13 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3ktg h LEU 48 Cb -0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3ktg h LEU 48 CO -0.03 0.41 0.22 0.15 0.09 0.00 0.00 178.44 179.28 3ktg h PHE 49 N 0.35 0.40 -0.55 1.13 3.57 -0.97 -0.17 116.94 120.70 3ktg h PHE 49 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3ktg h PHE 49 Cb 0.12 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3ktg h PHE 49 CO -0.02 0.19 0.17 -0.07 -2.23 0.00 0.00 178.31 176.35 3ktg h LEU 50 N 0.43 0.80 -1.76 0.59 3.38 -0.94 0.09 115.31 117.91 3ktg h LEU 50 Ca 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3ktg h LEU 50 Cb 0.13 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3ktg h LEU 50 CO -0.15 0.80 -0.16 0.00 0.09 0.00 0.00 178.44 179.02 3ktg h ALA 51 N 1.04 1.55 0.16 1.53 0.00 -0.69 -0.62 119.26 122.23 3ktg h ALA 51 Ca 0.18 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 3ktg h ALA 51 Cb 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ktg h ALA 51 CO -0.01 0.20 -1.31 0.00 0.00 0.00 0.00 179.25 178.13 3ktg h ALA 52 N 1.84 0.03 0.36 0.00 0.00 -0.49 -2.76 119.26 118.24 3ktg h ALA 52 Ca -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 54.91 54.01 3ktg h ALA 52 Cb 0.31 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ktg h ALA 52 CO 0.02 0.90 -0.17 0.93 0.00 0.00 0.00 179.25 180.93 3ktg h GLU 53 N 0.09 -0.47 -1.65 0.00 4.39 -0.27 -3.42 114.58 113.26 3ktg h GLU 53 Ca -0.17 0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.39 3ktg h GLU 53 Cb 2.03 0.11 -0.28 0.00 -0.10 0.00 0.00 28.75 30.50 3ktg h GLU 53 CO 0.22 -0.22 -0.53 0.34 -1.16 0.00 0.00 179.01 177.67 3ktg s ASP 54 N -4.89 0.24 0.00 1.42 -1.08 -0.31 -5.01 116.67 107.04 3ktg s ASP 54 Ca -0.15 -0.37 0.15 0.00 -0.52 0.00 0.00 52.55 51.66 3ktg s ASP 54 Cb 0.03 1.17 0.91 0.00 -1.46 0.00 0.00 42.92 43.58 3ktg s ASP 54 CO 0.60 -0.35 1.33 -0.81 0.52 0.00 0.00 175.17 176.46 3ktg n PRO 55 N 5.34 0.55 -0.11 4.34 -0.04 -1.04 -3.41 135.00 140.63 3ktg n PRO 55 Ca 0.01 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.27 3ktg n PRO 55 Cb 0.50 -1.44 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 3ktg n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3ktg n GLU 56 N -0.94 0.66 -2.20 0.54 -0.58 -1.26 -3.44 120.64 113.42 3ktg n GLU 56 Ca 0.11 0.19 -0.35 0.00 -0.42 0.00 0.00 57.16 56.69 3ktg n GLU 56 Cb 0.05 -1.55 0.01 0.00 -0.57 0.00 0.00 31.44 29.38 3ktg n GLU 56 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3ktg s LYS 57 N -2.52 3.30 0.72 3.49 1.02 -1.22 -4.81 119.74 119.72 3ktg s LYS 57 Ca -0.34 1.68 -0.11 0.00 0.02 0.00 0.00 55.97 57.22 3ktg s LYS 57 Cb 0.09 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 3ktg s LYS 57 CO 0.61 -0.91 1.09 -1.83 -0.92 0.00 0.00 175.35 173.39 3ktg s GLU 58 N -3.25 2.70 0.04 1.68 -1.05 -1.26 -4.46 118.70 113.10 3ktg s GLU 58 Ca 0.73 0.54 0.08 0.00 -0.15 0.00 0.00 54.97 56.17 3ktg s GLU 58 Cb -0.26 -2.00 -0.03 0.00 -0.44 0.00 0.00 34.13 31.41 3ktg s GLU 58 CO 0.29 -1.16 -0.23 0.42 0.95 0.00 0.00 175.26 175.53 3ktg s ILE 59 N -3.29 1.87 -0.20 1.83 -1.09 -0.38 -4.92 121.20 115.02 3ktg s ILE 59 Ca 0.59 -1.26 -0.04 0.00 -2.23 0.00 0.00 60.65 57.71 3ktg s ILE 59 Cb -0.12 -1.61 -0.01 0.00 -1.58 0.00 0.00 42.46 39.14 3ktg s ILE 59 CO 0.53 0.29 -0.04 -0.44 -1.23 0.00 0.00 174.94 174.04 3ktg s SER 60 N -1.16 4.43 -0.34 3.58 0.01 -0.48 -0.42 113.70 119.32 3ktg s SER 60 Ca 0.09 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 57.00 3ktg s SER 60 Cb -0.09 -1.75 0.06 0.00 0.21 0.00 0.00 66.02 64.45 3ktg s SER 60 CO 0.02 0.04 0.08 -0.22 0.41 0.00 0.00 173.24 173.57 3ktg s LEU 61 N 1.10 4.35 -0.17 2.44 2.96 0.15 -0.09 118.68 129.42 3ktg s LEU 61 Ca 0.01 -1.39 -0.25 0.00 -0.22 0.00 0.00 54.13 52.28 3ktg s LEU 61 Cb -0.15 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 3ktg s LEU 61 CO -0.00 -0.35 0.84 -0.31 -1.32 0.00 0.00 176.35 175.21 3ktg s TYR 62 N 1.29 3.42 -0.21 5.38 1.51 -0.14 -1.42 117.35 127.17 3ktg s TYR 62 Ca -0.01 1.26 -0.02 0.00 -1.01 0.00 0.00 57.07 57.29 3ktg s TYR 62 Cb -0.20 -3.03 0.00 0.00 -0.11 0.00 0.00 41.96 38.62 3ktg s TYR 62 CO -0.00 -0.25 -0.10 0.42 -1.11 0.00 0.00 175.55 174.50 3ktg s ILE 63 N 2.20 2.85 -0.35 2.71 1.01 0.11 -0.54 121.20 129.19 3ktg s ILE 63 Ca 0.38 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.36 3ktg s ILE 63 Cb -0.16 -2.28 0.15 0.00 0.01 0.00 0.00 42.46 40.17 3ktg s ILE 63 CO 0.12 0.45 0.28 0.21 0.00 0.00 0.00 174.94 176.01 3ktg s ASN 64 N 1.40 2.13 -0.16 3.58 2.47 0.66 -1.51 114.94 123.52 3ktg s ASN 64 Ca 0.05 -1.83 -0.23 0.00 0.42 0.00 0.00 52.86 51.28 3ktg s ASN 64 Cb -0.14 0.07 0.06 0.00 -1.45 0.00 0.00 41.25 39.79 3ktg s ASN 64 CO -0.07 -0.29 0.58 -0.55 -3.72 0.00 0.00 177.10 173.05 3ktg s SER 65 N 1.32 -0.58 0.00 -4.21 0.15 1.00 -2.51 113.70 108.87 3ktg s SER 65 Ca 0.17 0.95 0.19 0.00 0.70 0.00 0.00 55.95 57.96 3ktg s SER 65 Cb -0.19 0.94 0.85 0.00 -1.71 0.00 0.00 66.02 65.91 3ktg s SER 65 CO -0.04 -0.33 1.61 -0.81 1.20 0.00 0.00 173.24 174.87 3ktg n PRO 66 N 2.13 0.05 0.00 5.44 -0.04 -1.26 -1.43 135.00 139.89 3ktg n PRO 66 Ca -0.16 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3ktg n PRO 66 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3ktg n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ktg n GLY 67 N 0.45 0.23 0.00 0.55 0.00 -1.20 -4.30 105.19 100.92 3ktg n GLY 67 Ca 0.05 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3ktg n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ktg n GLY 68 N 0.00 0.08 3.73 -0.02 0.00 -1.26 0.22 105.19 107.95 3ktg n GLY 68 Ca 0.00 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3ktg n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ktg s SER 69 N -4.00 6.38 0.14 1.61 0.15 0.98 -4.83 113.70 114.13 3ktg s SER 69 Ca 0.00 2.88 -0.14 0.00 0.70 0.00 0.00 55.95 59.40 3ktg s SER 69 Cb 0.00 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.71 3ktg s SER 69 CO 0.00 -0.96 1.62 0.40 1.20 0.00 0.00 173.24 175.50 3ktg h ILE 70 N 3.73 1.25 -0.07 6.45 2.04 -1.97 -0.56 117.51 128.38 3ktg h ILE 70 Ca -0.44 -0.91 -0.14 0.00 1.00 0.00 0.00 64.86 64.37 3ktg h ILE 70 Cb 1.20 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3ktg h ILE 70 CO 0.92 0.32 -0.56 0.71 0.00 0.00 0.00 178.15 179.54 3ktg h THR 71 N 0.62 1.37 -0.40 -0.27 1.35 -1.98 0.35 112.91 113.96 3ktg h THR 71 Ca 0.14 -1.89 -0.13 0.00 -0.55 0.00 0.00 66.41 63.98 3ktg h THR 71 Cb 0.39 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 3ktg h THR 71 CO 0.01 0.56 -0.28 0.00 -0.25 0.00 0.00 175.52 175.55 3ktg h ALA 72 N 1.24 0.75 -0.39 6.62 0.00 -1.87 -1.99 119.26 123.62 3ktg h ALA 72 Ca -0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 3ktg h ALA 72 Cb 1.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3ktg h ALA 72 CO 0.09 0.66 -0.09 0.78 0.00 0.00 0.00 179.25 180.68 3ktg h GLY 73 N 0.91 0.81 2.00 0.00 0.00 -0.75 -2.93 103.07 103.11 3ktg h GLY 73 Ca 0.08 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 3ktg h GLY 73 CO 0.07 0.61 -0.21 -0.33 0.00 0.00 0.00 176.54 176.68 3ktg h MET 74 N 0.56 0.00 -0.63 4.80 2.86 -0.79 0.26 114.93 121.99 3ktg h MET 74 Ca 0.10 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 3ktg h MET 74 Cb 0.61 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 3ktg h MET 74 CO 0.04 0.21 0.10 0.00 1.06 0.00 0.00 176.91 178.32 3ktg h ALA 75 N 1.79 0.99 -0.08 6.32 0.00 -1.19 0.20 119.26 127.30 3ktg h ALA 75 Ca -0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3ktg h ALA 75 Cb 0.42 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ktg h ALA 75 CO 0.03 0.64 -0.32 0.82 0.00 0.00 0.00 179.25 180.42 3ktg h ILE 76 N 0.96 1.42 0.07 0.00 2.04 -1.16 -2.07 117.51 118.76 3ktg h ILE 76 Ca 0.19 -1.70 0.01 0.00 1.00 0.00 0.00 64.86 64.36 3ktg h ILE 76 Cb 0.42 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.75 3ktg h ILE 76 CO 0.01 0.49 -0.47 0.22 0.00 0.00 0.00 178.15 178.41 3ktg h TYR 77 N -0.14 -1.36 -0.96 1.37 3.20 -0.19 -0.87 116.97 118.02 3ktg h TYR 77 Ca -0.02 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.96 3ktg h TYR 77 Cb 0.96 0.58 -0.07 0.00 1.54 0.00 0.00 36.73 39.74 3ktg h TYR 77 CO 0.13 -0.52 0.62 -0.44 -1.64 0.00 0.00 178.16 176.31 3ktg h ASP 78 N -0.64 0.97 -0.46 -2.11 3.45 -0.69 -1.90 116.42 115.06 3ktg h ASP 78 Ca -0.00 0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.42 3ktg h ASP 78 Cb 0.65 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.21 3ktg h ASP 78 CO -0.27 0.61 0.12 0.74 -1.57 0.00 0.00 179.24 178.87 3ktg h THR 79 N 1.10 1.22 -0.55 0.35 2.02 -0.93 0.44 112.91 116.57 3ktg h THR 79 Ca 0.42 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3ktg h THR 79 Cb 0.20 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 3ktg h THR 79 CO -0.18 0.30 0.36 0.24 0.37 0.00 0.00 175.52 176.60 3ktg h MET 80 N 0.77 0.72 -0.03 6.66 2.86 -0.35 -1.38 114.93 124.19 3ktg h MET 80 Ca 0.17 -0.05 -0.25 0.00 -2.06 0.00 0.00 59.70 57.52 3ktg h MET 80 Cb 0.30 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 31.81 3ktg h MET 80 CO -0.00 0.49 -0.96 1.96 1.06 0.00 0.00 176.91 179.46 3ktg h GLN 81 N 0.74 0.63 -0.43 1.72 1.08 -1.22 -3.34 115.11 114.29 3ktg h GLN 81 Ca 0.20 -0.64 0.06 0.00 -1.45 0.00 0.00 58.65 56.81 3ktg h GLN 81 Cb -0.07 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.48 3ktg h GLN 81 CO -0.04 1.24 0.15 0.35 -0.95 0.00 0.00 178.83 179.58 3ktg h PHE 82 N 0.38 0.26 -4.33 2.96 3.57 0.23 -3.44 116.94 116.57 3ktg h PHE 82 Ca -0.10 0.02 -0.51 0.00 3.53 0.00 0.00 57.97 60.91 3ktg h PHE 82 Cb 1.60 -0.05 0.10 0.00 2.79 0.00 0.00 35.95 40.39 3ktg h PHE 82 CO 0.09 0.09 0.36 0.96 -2.23 0.00 0.00 178.31 177.58 3ktg s ILE 83 N -6.15 3.91 0.03 1.41 -4.36 -0.55 -4.98 121.20 110.50 3ktg s ILE 83 Ca -0.13 0.62 -0.24 0.00 -0.26 0.00 0.00 60.65 60.64 3ktg s ILE 83 Cb 0.13 -3.33 -0.17 0.00 1.25 0.00 0.00 42.46 40.35 3ktg s ILE 83 CO 0.72 -0.81 1.44 0.50 0.24 0.00 0.00 174.94 177.04 3ktg h LYS 84 N -0.79 0.07 -6.65 0.37 1.63 -1.85 -3.45 116.57 105.92 3ktg h LYS 84 Ca -0.44 -0.02 -0.58 0.00 -0.85 0.00 0.00 60.65 58.76 3ktg h LYS 84 Cb 1.21 -0.01 0.11 0.00 -0.60 0.00 0.00 32.23 32.95 3ktg h LYS 84 CO 0.56 0.37 0.33 -2.30 -3.45 0.00 0.00 179.45 174.96 3ktg n PRO 85 N -4.89 1.74 -2.83 1.90 -0.02 -1.22 -4.94 135.00 124.74 3ktg n PRO 85 Ca -0.07 0.61 -0.37 0.00 -2.02 0.00 0.00 63.50 61.65 3ktg n PRO 85 Cb 0.19 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 3ktg n PRO 85 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3ktg s LYS 86 N -1.82 4.57 -0.24 -0.52 1.02 -1.26 -4.88 119.74 116.61 3ktg s LYS 86 Ca 0.58 1.28 -0.02 0.00 0.02 0.00 0.00 55.97 57.83 3ktg s LYS 86 Cb -0.61 -2.88 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 3ktg s LYS 86 CO 0.60 0.33 -0.05 0.08 -0.92 0.00 0.00 175.35 175.40 3ktg s VAL 87 N -1.54 3.02 -0.08 3.17 1.01 -1.26 -1.25 120.40 123.47 3ktg s VAL 87 Ca 0.48 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 3ktg s VAL 87 Cb -0.19 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 3ktg s VAL 87 CO 0.24 0.25 0.50 -0.55 0.00 0.00 0.00 175.10 175.54 3ktg s SER 88 N 1.37 6.76 -0.07 3.32 0.15 0.44 0.19 113.70 125.86 3ktg s SER 88 Ca 0.02 0.90 0.02 0.00 0.70 0.00 0.00 55.95 57.59 3ktg s SER 88 Cb -0.16 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.82 3ktg s SER 88 CO -0.04 0.05 -0.10 0.42 1.20 0.00 0.00 173.24 174.77 3ktg s THR 89 N 0.30 3.43 -0.11 6.45 -4.23 -1.07 0.31 115.64 120.72 3ktg s THR 89 Ca 0.27 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 3ktg s THR 89 Cb -0.16 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.32 3ktg s THR 89 CO 0.12 0.59 -0.10 -0.63 -0.54 0.00 0.00 174.62 174.06 3ktg s ILE 90 N -0.69 1.15 -0.25 2.99 1.01 -0.51 0.43 121.20 125.33 3ktg s ILE 90 Ca 0.10 -0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 3ktg s ILE 90 Cb -0.11 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 3ktg s ILE 90 CO 0.01 0.38 0.60 0.00 0.00 0.00 0.00 174.94 175.93 3ktg s ILE 92 N 2.34 1.52 0.00 0.00 -4.36 -0.57 -2.22 121.20 117.91 3ktg s ILE 92 Ca 0.25 -0.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 3ktg s ILE 92 Cb -0.16 -1.30 0.00 0.00 1.25 0.00 0.00 42.46 42.25 3ktg s ILE 92 CO 0.09 0.44 0.00 0.61 0.24 0.00 0.00 174.94 176.31 3ktg n GLY 93 N 3.05 1.66 3.04 6.27 0.00 -1.26 -4.08 105.19 113.86 3ktg n GLY 93 Ca -0.18 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 3ktg n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ktg s MET 94 N 0.00 0.18 -0.41 1.61 -2.45 -1.26 -0.38 119.30 116.60 3ktg s MET 94 Ca 0.00 0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.71 3ktg s MET 94 Cb 0.00 0.07 0.12 0.00 1.25 0.00 0.00 34.83 36.27 3ktg s MET 94 CO 0.00 -0.03 0.16 0.00 1.05 0.00 0.00 175.02 176.20 3ktg s ALA 95 N 0.16 2.69 0.17 4.11 0.00 0.52 -0.00 121.76 129.41 3ktg s ALA 95 Ca -0.01 -2.65 0.08 0.00 0.00 0.00 0.00 51.96 49.38 3ktg s ALA 95 Cb -0.02 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3ktg s ALA 95 CO -0.00 -1.86 -0.05 0.00 0.00 0.00 0.00 175.76 173.85 3ktg s ALA 96 N 0.53 3.06 0.00 0.00 0.00 -0.51 -1.67 121.76 123.18 3ktg s ALA 96 Ca 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3ktg s ALA 96 Cb -0.22 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.03 3ktg s ALA 96 CO -0.07 0.49 0.00 0.45 0.00 0.00 0.00 175.76 176.63 3ktg n SER 97 N 0.02 0.00 0.30 0.00 2.88 -0.42 0.32 113.62 116.72 3ktg n SER 97 Ca -0.10 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.62 3ktg n SER 97 Cb 0.55 0.00 0.98 0.00 -0.75 0.00 0.00 64.21 64.99 3ktg n SER 97 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3ktg h MET 98 N 0.00 0.00 -0.29 -1.46 2.07 -1.88 0.86 114.93 114.24 3ktg h MET 98 Ca 0.00 0.00 -0.17 0.00 -2.07 0.00 0.00 59.70 57.46 3ktg h MET 98 Cb 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.73 3ktg h MET 98 CO 0.00 0.00 -0.48 0.78 1.07 0.00 0.00 176.91 178.28 3ktg h GLY 99 N 0.00 0.92 1.60 8.32 0.00 -0.38 -0.89 103.07 112.64 3ktg h GLY 99 Ca 0.02 -1.05 -0.10 0.00 0.00 0.00 0.00 47.33 46.21 3ktg h GLY 99 CO -0.00 0.94 -0.29 0.00 0.00 0.00 0.00 176.54 177.19 3ktg h ALA 100 N 0.68 1.08 -0.13 3.60 0.00 -0.79 -1.59 119.26 122.10 3ktg h ALA 100 Ca 0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ktg h ALA 100 Cb 1.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3ktg h ALA 100 CO 0.11 0.57 0.07 0.35 0.00 0.00 0.00 179.25 180.35 3ktg h PHE 101 N 0.40 0.19 -0.71 0.00 3.57 -0.93 -1.28 116.94 118.18 3ktg h PHE 101 Ca 0.05 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3ktg h PHE 101 Cb 0.71 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 3ktg h PHE 101 CO 0.02 0.22 0.37 -0.07 -2.23 0.00 0.00 178.31 176.62 3ktg h LEU 102 N 0.10 0.91 -0.31 0.59 3.38 -1.00 -1.66 115.31 117.32 3ktg h LEU 102 Ca 0.05 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3ktg h LEU 102 Cb 0.10 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3ktg h LEU 102 CO -0.01 0.76 -0.10 0.25 0.09 0.00 0.00 178.44 179.44 3ktg h LEU 103 N 0.99 -0.35 -1.94 1.67 5.85 -0.89 0.51 115.31 121.15 3ktg h LEU 103 Ca 0.25 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 3ktg h LEU 103 Cb 0.08 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3ktg h LEU 103 CO -0.04 -0.13 -0.09 0.00 -0.34 0.00 0.00 178.44 177.85 3ktg h ALA 104 N 1.27 1.17 0.00 1.25 0.00 -0.89 -2.46 119.26 119.59 3ktg h ALA 104 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ktg h ALA 104 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ktg h ALA 104 CO -0.34 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.02 3ktg n ALA 105 N -2.21 2.49 -1.11 0.00 0.00 0.16 -4.87 120.51 114.97 3ktg n ALA 105 Ca -0.01 -0.16 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 3ktg n ALA 105 Cb 0.24 -1.45 0.14 0.00 0.00 0.00 0.00 19.45 18.38 3ktg n ALA 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ktg s GLY 106 N -2.15 1.62 0.08 0.00 0.00 -0.93 -4.90 107.32 101.05 3ktg s GLY 106 Ca 0.38 0.02 -0.35 0.00 0.00 0.00 0.00 44.72 44.77 3ktg s GLY 106 CO 0.35 0.51 1.57 -2.21 0.00 0.00 0.00 173.10 173.31 3ktg n GLU 107 N -3.96 1.85 -1.66 2.90 4.07 0.13 -4.83 120.64 119.14 3ktg n GLU 107 Ca 0.07 0.67 -0.50 0.00 -0.06 0.00 0.00 57.16 57.34 3ktg n GLU 107 Cb 0.55 -2.41 -0.05 0.00 -0.06 0.00 0.00 31.44 29.46 3ktg n GLU 107 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3ktg n LYS 108 N 3.78 1.73 0.00 5.31 3.00 -1.26 -0.19 118.16 130.53 3ktg n LYS 108 Ca 0.19 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 59.12 3ktg n LYS 108 Cb 0.26 -2.37 0.00 0.00 0.00 0.00 0.00 35.03 32.92 3ktg n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ktg n GLY 109 N 3.50 2.32 0.88 3.14 0.00 -1.26 -4.86 105.19 108.91 3ktg n GLY 109 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 3ktg n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ktg n LYS 110 N -2.00 1.80 -3.53 1.61 5.02 0.73 -4.79 118.16 117.01 3ktg n LYS 110 Ca 0.00 -3.15 -0.42 0.00 -2.02 0.00 0.00 58.31 52.72 3ktg n LYS 110 Cb 0.00 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.18 3ktg n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ktg s ARG 111 N -3.18 2.84 0.36 1.97 0.52 -1.22 -2.60 118.95 117.64 3ktg s ARG 111 Ca 0.41 -1.17 0.08 0.00 -0.52 0.00 0.00 55.73 54.54 3ktg s ARG 111 Cb 0.38 -3.86 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 3ktg s ARG 111 CO -0.01 -0.80 0.16 0.71 0.02 0.00 0.00 175.30 175.37 3ktg s TYR 112 N 1.58 2.69 -0.07 -0.53 1.51 0.17 0.06 117.35 122.76 3ktg s TYR 112 Ca 0.03 -0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 55.51 3ktg s TYR 112 Cb -0.21 -1.72 0.04 0.00 -0.11 0.00 0.00 41.96 39.96 3ktg s TYR 112 CO 0.07 0.29 0.40 0.00 -1.11 0.00 0.00 175.55 175.19 3ktg s ALA 113 N -2.45 -1.00 0.48 3.71 0.00 -1.10 -0.29 121.76 121.11 3ktg s ALA 113 Ca 0.39 0.78 -0.07 0.00 0.00 0.00 0.00 51.96 53.05 3ktg s ALA 113 Cb -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 3ktg s ALA 113 CO 0.23 -0.25 0.82 -0.51 0.00 0.00 0.00 175.76 176.04 3ktg s LEU 114 N -0.72 3.62 0.25 0.00 1.43 -0.94 -1.49 118.68 120.82 3ktg s LEU 114 Ca -0.08 1.04 -0.05 0.00 -1.03 0.00 0.00 54.13 54.01 3ktg s LEU 114 Cb -0.04 -3.99 0.46 0.00 0.03 0.00 0.00 46.19 42.65 3ktg s LEU 114 CO 0.04 -0.58 1.33 -2.65 0.23 0.00 0.00 176.35 174.72 3ktg n PRO 115 N -2.13 -0.07 -0.69 1.29 -0.02 -1.23 -0.73 135.00 131.42 3ktg n PRO 115 Ca 0.02 1.32 0.08 0.00 -2.02 0.00 0.00 63.50 62.89 3ktg n PRO 115 Cb 0.55 -2.00 0.34 0.00 -0.02 0.00 0.00 33.50 32.37 3ktg n PRO 115 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ktg n ASN 116 N -5.35 4.91 -4.72 2.55 4.13 -1.26 -4.51 115.26 111.00 3ktg n ASN 116 Ca 0.15 -2.86 -0.33 0.00 1.68 0.00 0.00 54.58 53.23 3ktg n ASN 116 Cb 0.48 -0.61 0.11 0.00 -1.54 0.00 0.00 39.78 38.22 3ktg n ASN 116 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3ktg s SER 117 N -1.19 4.01 0.00 6.41 0.01 0.09 -4.80 113.70 118.24 3ktg s SER 117 Ca 0.49 2.16 0.03 0.00 1.31 0.00 0.00 55.95 59.95 3ktg s SER 117 Cb 0.37 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 64.02 3ktg s SER 117 CO 0.15 -2.38 -0.11 -0.70 0.41 0.00 0.00 173.24 170.61 3ktg s GLU 118 N -4.33 0.83 0.05 12.44 2.12 0.49 -2.95 118.70 127.35 3ktg s GLU 118 Ca 0.69 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 55.60 3ktg s GLU 118 Cb -0.24 -0.80 -0.02 0.00 0.26 0.00 0.00 34.13 33.33 3ktg s GLU 118 CO 0.50 0.21 -0.13 0.08 -0.54 0.00 0.00 175.26 175.39 3ktg s VAL 119 N -0.42 0.98 -0.05 3.70 1.01 -0.86 -0.36 120.40 124.39 3ktg s VAL 119 Ca 0.03 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 3ktg s VAL 119 Cb -0.05 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.42 3ktg s VAL 119 CO -0.00 -0.12 0.13 -0.32 0.00 0.00 0.00 175.10 174.79 3ktg s MET 120 N -1.34 0.15 0.04 2.72 0.00 -0.67 0.67 119.30 120.87 3ktg s MET 120 Ca -0.01 0.20 0.06 0.00 0.00 0.00 0.00 55.69 55.93 3ktg s MET 120 Cb -0.09 0.05 -0.02 0.00 0.00 0.00 0.00 34.83 34.77 3ktg s MET 120 CO 0.01 -0.03 -0.16 0.96 0.00 0.00 0.00 175.02 175.80 3ktg s ILE 121 N 0.18 1.30 0.26 10.11 -4.36 -0.62 -1.30 121.20 126.78 3ktg s ILE 121 Ca -0.01 -1.03 -0.22 0.00 -0.26 0.00 0.00 60.65 59.13 3ktg s ILE 121 Cb -0.02 -1.15 0.03 0.00 1.25 0.00 0.00 42.46 42.56 3ktg s ILE 121 CO -0.00 0.10 0.76 -1.38 0.24 0.00 0.00 174.94 174.66 3ktg s HIS 122 N -0.78 -0.18 0.64 1.37 -3.43 -1.26 -1.71 115.29 109.94 3ktg s HIS 122 Ca 0.04 -0.26 -0.12 0.00 -0.80 0.00 0.00 55.06 53.92 3ktg s HIS 122 Cb -0.08 0.70 -0.02 0.00 -1.43 0.00 0.00 32.58 31.75 3ktg s HIS 122 CO 0.01 -1.18 1.04 1.14 -2.00 0.00 0.00 174.74 173.76 3ktg s GLN 123 N -3.81 3.28 0.67 -0.38 -2.07 0.16 -4.96 119.66 112.56 3ktg s GLN 123 Ca 0.11 0.92 -0.17 0.00 -1.82 0.00 0.00 55.36 54.40 3ktg s GLN 123 Cb -0.05 -2.04 -0.01 0.00 -1.09 0.00 0.00 33.01 29.82 3ktg s GLN 123 CO 0.06 -0.82 1.03 -2.30 -1.32 0.00 0.00 175.29 171.94 3ktg n PRO 124 N -2.74 0.74 -4.34 9.60 -0.02 -1.26 -5.04 135.00 131.94 3ktg n PRO 124 Ca 0.07 0.30 -0.29 0.00 -2.02 0.00 0.00 63.50 61.57 3ktg n PRO 124 Cb 0.54 -2.27 -0.11 0.00 -0.02 0.00 0.00 33.50 31.63 3ktg n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ktg s LEU 125 N -3.08 2.62 0.00 2.45 1.43 -1.26 -5.09 118.68 115.75 3ktg s LEU 125 Ca 0.76 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 3ktg s LEU 125 Cb -0.37 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3ktg s LEU 125 CO 0.47 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.82 3ktg n GLY 126 N 0.65 1.19 3.55 -3.19 0.00 -1.26 -5.05 105.19 101.08 3ktg n GLY 126 Ca -0.15 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 3ktg n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ktg s GLY 127 N -1.54 -0.46 -0.08 -0.02 0.00 -1.26 -5.17 107.32 98.79 3ktg s GLY 127 Ca 0.00 0.27 -0.12 0.00 0.00 0.00 0.00 44.72 44.87 3ktg s GLY 127 CO 0.00 0.09 0.30 0.00 0.00 0.00 0.00 173.10 173.49 3ktg s ALA 128 N -3.79 -0.74 -0.12 3.20 0.00 -1.26 -5.01 121.76 114.04 3ktg s ALA 128 Ca 0.04 0.65 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 3ktg s ALA 128 Cb -0.02 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.83 3ktg s ALA 128 CO -0.07 -0.18 0.31 -1.14 0.00 0.00 0.00 175.76 174.67 3ktg s GLN 129 N -0.35 0.33 0.00 0.00 0.74 -1.26 -5.04 119.66 114.09 3ktg s GLN 129 Ca -0.05 0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.84 3ktg s GLN 129 Cb -0.03 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.18 3ktg s GLN 129 CO 0.02 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.09 3ktg n GLY 130 N 3.27 0.51 3.73 2.59 0.00 -1.26 -4.83 105.19 109.20 3ktg n GLY 130 Ca -0.16 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 3ktg n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktg s GLN 131 N -0.61 2.28 0.26 1.61 -0.21 -1.26 -4.76 119.66 116.97 3ktg s GLN 131 Ca 0.00 1.64 -0.02 0.00 0.02 0.00 0.00 55.36 57.00 3ktg s GLN 131 Cb 0.00 -1.86 0.53 0.00 1.00 0.00 0.00 33.01 32.68 3ktg s GLN 131 CO 0.00 -1.70 1.72 0.00 -2.12 0.00 0.00 175.29 173.19 3ktg h ALA 132 N -0.28 1.17 -0.70 6.09 0.00 -1.98 0.75 119.26 124.31 3ktg h ALA 132 Ca -0.47 0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.62 3ktg h ALA 132 Cb 1.28 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 3ktg h ALA 132 CO 0.51 -0.23 0.41 1.15 0.00 0.00 0.00 179.25 181.08 3ktg h THR 133 N 0.44 1.00 -0.09 0.00 2.02 -1.99 0.67 112.91 114.95 3ktg h THR 133 Ca 0.46 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 67.24 3ktg h THR 133 Cb 0.74 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3ktg h THR 133 CO -0.44 0.14 -0.54 -0.33 0.37 0.00 0.00 175.52 174.72 3ktg h GLU 134 N 0.75 0.27 -0.02 6.66 5.08 -1.29 -2.40 114.58 123.63 3ktg h GLU 134 Ca 0.31 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 3ktg h GLU 134 Cb 0.16 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3ktg h GLU 134 CO -0.17 0.74 -0.60 0.82 -1.00 0.00 0.00 179.01 178.80 3ktg h ILE 135 N 0.21 1.41 -0.26 3.13 2.04 -0.22 -2.39 117.51 121.44 3ktg h ILE 135 Ca 0.00 -2.02 -0.14 0.00 1.00 0.00 0.00 64.86 63.70 3ktg h ILE 135 Cb 1.01 2.07 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3ktg h ILE 135 CO 0.08 0.59 -0.39 -0.08 0.00 0.00 0.00 178.15 178.35 3ktg h GLU 136 N 0.06 0.72 -0.80 2.37 4.81 -0.68 -0.66 114.58 120.41 3ktg h GLU 136 Ca -0.01 -0.43 0.01 0.00 -0.13 0.00 0.00 59.36 58.81 3ktg h GLU 136 Cb 1.07 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3ktg h GLU 136 CO 0.08 1.05 0.53 0.82 -0.73 0.00 0.00 179.01 180.76 3ktg h ILE 137 N 0.45 1.19 -0.38 2.32 2.04 -1.30 0.22 117.51 122.05 3ktg h ILE 137 Ca 0.02 -0.37 -0.16 0.00 1.00 0.00 0.00 64.86 65.36 3ktg h ILE 137 Cb 0.98 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3ktg h ILE 137 CO 0.09 0.19 -0.39 0.00 0.00 0.00 0.00 178.15 178.04 3ktg h ALA 138 N 1.30 0.57 0.24 1.87 0.00 -1.37 -2.39 119.26 119.47 3ktg h ALA 138 Ca 0.30 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ktg h ALA 138 Cb -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3ktg h ALA 138 CO -0.07 0.68 -0.12 0.00 0.00 0.00 0.00 179.25 179.74 3ktg h ALA 139 N 0.77 -0.33 -0.66 0.00 0.00 -0.55 -1.87 119.26 116.62 3ktg h ALA 139 Ca 0.06 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3ktg h ALA 139 Cb 0.99 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3ktg h ALA 139 CO 0.10 -0.64 0.44 0.87 0.00 0.00 0.00 179.25 180.02 3ktg h LYS 140 N -0.43 0.71 -0.27 0.00 1.57 -1.00 -1.80 116.57 115.36 3ktg h LYS 140 Ca -0.03 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 3ktg h LYS 140 Cb 0.32 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3ktg h LYS 140 CO 0.06 0.47 -0.40 -0.09 -0.57 0.00 0.00 179.45 178.91 3ktg h ARG 141 N 0.73 0.75 0.00 3.15 2.43 -1.18 -1.75 114.38 118.50 3ktg h ARG 141 Ca 0.27 -0.45 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 3ktg h ARG 141 Cb 0.17 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3ktg h ARG 141 CO -0.08 1.07 -0.59 0.97 -1.51 0.00 0.00 179.97 179.83 3ktg h ILE 142 N 0.50 1.30 0.00 1.20 2.10 -1.03 -0.52 117.51 121.06 3ktg h ILE 142 Ca 0.03 -2.10 -0.10 0.00 1.08 0.00 0.00 64.86 63.77 3ktg h ILE 142 Cb 0.99 2.17 -0.01 0.00 -1.09 0.00 0.00 36.82 38.88 3ktg h ILE 142 CO 0.09 0.58 -0.49 -0.07 -1.08 0.00 0.00 178.15 177.18 3ktg h LEU 143 N 0.00 0.00 0.07 2.19 3.38 -1.32 -1.50 115.31 118.13 3ktg h LEU 143 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3ktg h LEU 143 Cb 1.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.88 3ktg h LEU 143 CO 0.08 0.49 -0.48 0.25 0.09 0.00 0.00 178.44 178.87 3ktg h LEU 144 N 0.00 0.30 -0.80 1.67 6.46 -0.96 -2.92 115.31 119.07 3ktg h LEU 144 Ca -0.00 -0.92 0.03 0.00 -0.12 0.00 0.00 57.88 56.86 3ktg h LEU 144 Cb 1.14 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.92 3ktg h LEU 144 CO 0.06 1.20 0.51 -0.07 -0.62 0.00 0.00 178.44 179.52 3ktg h LEU 145 N -0.55 0.85 -0.34 2.25 3.38 -1.07 0.93 115.31 120.76 3ktg h LEU 145 Ca -0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ktg h LEU 145 Cb 1.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3ktg h LEU 145 CO 0.09 0.59 0.22 -0.09 0.09 0.00 0.00 178.44 179.34 3ktg h ARG 146 N 1.00 0.45 -0.82 1.13 2.43 -1.35 0.56 114.38 117.78 3ktg h ARG 146 Ca 0.31 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 3ktg h ARG 146 Cb -0.01 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 3ktg h ARG 146 CO -0.11 0.30 0.35 0.22 -1.51 0.00 0.00 179.97 179.22 3ktg h ASP 147 N 0.46 1.11 -0.09 -3.80 3.58 -1.17 0.64 116.42 117.14 3ktg h ASP 147 Ca 0.12 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 3ktg h ASP 147 Cb -0.05 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 40.71 3ktg h ASP 147 CO -0.03 0.97 0.03 0.50 -2.88 0.00 0.00 179.24 177.83 3ktg h LYS 148 N 1.18 0.14 -0.68 0.28 3.64 -0.36 -2.07 116.57 118.70 3ktg h LYS 148 Ca 0.28 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.58 3ktg h LYS 148 Cb 0.19 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3ktg h LYS 148 CO -0.03 0.27 0.22 -0.07 -2.27 0.00 0.00 179.45 177.57 3ktg h LEU 149 N -0.02 0.99 -1.41 5.20 3.38 -0.69 -2.75 115.31 120.01 3ktg h LEU 149 Ca 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3ktg h LEU 149 Cb 0.18 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3ktg h LEU 149 CO -0.00 0.93 0.38 0.78 0.09 0.00 0.00 178.44 180.61 3ktg h ASN 150 N 0.99 0.68 -0.17 -0.43 2.35 -0.75 -0.56 115.58 117.69 3ktg h ASN 150 Ca 0.22 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.79 3ktg h ASN 150 Cb 0.29 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 3ktg h ASN 150 CO -0.01 0.50 -0.49 0.11 -1.65 0.00 0.00 177.43 175.89 3ktg h LYS 151 N 0.79 0.74 -0.23 0.81 1.57 -1.09 -1.90 116.57 117.27 3ktg h LYS 151 Ca 0.21 -0.44 -0.17 0.00 -1.87 0.00 0.00 60.65 58.39 3ktg h LYS 151 Cb -0.08 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3ktg h LYS 151 CO -0.04 1.06 -0.53 0.28 -0.57 0.00 0.00 179.45 179.65 3ktg h VAL 152 N 0.59 1.30 -0.46 0.50 2.07 -1.21 -2.28 116.25 116.76 3ktg h VAL 152 Ca 0.03 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 3ktg h VAL 152 Cb 1.06 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 3ktg h VAL 152 CO 0.10 0.55 0.15 0.25 0.02 0.00 0.00 177.57 178.65 3ktg h LEU 153 N 0.52 0.67 -0.59 2.57 6.46 -1.03 -0.05 115.31 123.86 3ktg h LEU 153 Ca 0.02 -0.20 0.04 0.00 -0.12 0.00 0.00 57.88 57.62 3ktg h LEU 153 Cb 1.09 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.80 3ktg h LEU 153 CO 0.11 0.69 0.34 0.00 -0.62 0.00 0.00 178.44 178.95 3ktg h ALA 154 N 1.00 0.78 -0.42 1.25 0.00 -1.29 0.14 119.26 120.73 3ktg h ALA 154 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3ktg h ALA 154 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ktg h ALA 154 CO -0.01 0.04 0.08 0.93 0.00 0.00 0.00 179.25 180.29 3ktg h GLU 155 N 0.65 0.68 0.00 0.00 5.08 -1.10 0.15 114.58 120.05 3ktg h GLU 155 Ca 0.25 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3ktg h GLU 155 Cb 0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3ktg h GLU 155 CO -0.14 0.71 -0.38 0.00 -1.00 0.00 0.00 179.01 178.21 3ktg h ARG 156 N 0.54 0.00 0.00 2.33 2.47 -0.60 -3.31 114.38 115.81 3ktg h ARG 156 Ca 0.13 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.48 3ktg h ARG 156 Cb 0.36 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.61 3ktg h ARG 156 CO 0.01 0.38 -2.40 0.25 0.56 0.00 0.00 179.97 178.77 3ktg n THR 157 N -3.48 1.40 0.00 2.04 -2.24 0.45 -4.81 114.28 107.64 3ktg n THR 157 Ca 0.00 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 3ktg n THR 157 Cb 0.53 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 3ktg n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ktg n GLY 158 N 1.88 0.38 3.77 3.38 0.00 0.51 -4.45 105.19 110.64 3ktg n GLY 158 Ca -0.35 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 3ktg n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ktg s GLN 159 N -0.91 4.50 0.44 1.61 -1.52 -1.12 -4.99 119.66 117.66 3ktg s GLN 159 Ca 0.00 1.68 -0.24 0.00 -1.95 0.00 0.00 55.36 54.85 3ktg s GLN 159 Cb 0.00 -2.98 -0.08 0.00 -0.22 0.00 0.00 33.01 29.73 3ktg s GLN 159 CO 0.00 0.12 1.21 -1.25 -0.25 0.00 0.00 175.29 175.12 3ktg s PRO 160 N -1.77 3.85 0.27 2.91 0.04 -1.26 -4.50 135.00 134.53 3ktg s PRO 160 Ca 0.49 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 63.40 3ktg s PRO 160 Cb -0.28 -2.56 0.55 0.00 0.04 0.00 0.00 34.50 32.26 3ktg s PRO 160 CO 0.36 -0.51 1.61 1.25 0.04 0.00 0.00 177.00 179.75 3ktg h LEU 161 N 2.32 -0.40 -1.45 -3.56 5.85 -1.92 0.21 115.31 116.36 3ktg h LEU 161 Ca -0.49 0.23 0.14 0.00 0.84 0.00 0.00 57.88 58.59 3ktg h LEU 161 Cb 1.25 0.40 -0.06 0.00 0.37 0.00 0.00 40.66 42.62 3ktg h LEU 161 CO 0.61 -0.24 0.52 -0.08 -0.34 0.00 0.00 178.44 178.92 3ktg h GLU 162 N 0.08 0.53 -0.10 1.25 4.81 -1.97 0.15 114.58 119.32 3ktg h GLU 162 Ca 0.48 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.54 3ktg h GLU 162 Cb 0.91 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.17 3ktg h GLU 162 CO -0.77 0.35 -0.49 0.28 -0.73 0.00 0.00 179.01 177.66 3ktg h VAL 163 N 0.55 1.37 -0.99 0.32 2.07 -0.95 -2.54 116.25 116.08 3ktg h VAL 163 Ca 0.39 -1.82 0.03 0.00 0.82 0.00 0.00 66.70 66.11 3ktg h VAL 163 Cb 0.73 2.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 3ktg h VAL 163 CO -0.15 0.55 0.65 0.40 0.02 0.00 0.00 177.57 179.04 3ktg h ILE 164 N 0.09 1.21 -0.28 4.57 1.08 -0.87 -0.17 117.51 123.14 3ktg h ILE 164 Ca -0.03 -0.44 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 3ktg h ILE 164 Cb 1.14 -0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 3ktg h ILE 164 CO 0.10 0.23 0.10 -0.33 -0.69 0.00 0.00 178.15 177.57 3ktg h GLU 165 N 1.28 0.42 -0.20 2.37 5.08 -0.96 -2.27 114.58 120.30 3ktg h GLU 165 Ca 0.38 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.50 3ktg h GLU 165 Cb -0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3ktg h GLU 165 CO -0.10 0.45 -0.54 0.00 -1.00 0.00 0.00 179.01 177.82 3ktg h ARG 166 N 0.29 0.58 0.00 2.33 3.08 -1.25 -3.14 114.38 116.27 3ktg h ARG 166 Ca 0.09 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3ktg h ARG 166 Cb 0.20 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3ktg h ARG 166 CO -0.01 0.97 0.00 -0.25 -1.07 0.00 0.00 179.97 179.61 3ktg n ASP 167 N -3.97 0.00 -0.51 7.04 8.00 -0.09 -3.15 116.55 123.87 3ktg n ASP 167 Ca -0.03 0.22 0.05 0.00 0.71 0.00 0.00 54.79 55.74 3ktg n ASP 167 Cb 0.60 -0.40 0.12 0.00 -0.02 0.00 0.00 41.12 41.42 3ktg n ASP 167 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ktg n THR 168 N -1.40 0.93 -0.11 -3.53 -2.24 -0.86 -4.62 114.28 102.45 3ktg n THR 168 Ca 0.09 -0.97 -0.07 0.00 -2.27 0.00 0.00 64.05 60.83 3ktg n THR 168 Cb 0.24 0.55 0.01 0.00 -2.10 0.00 0.00 70.33 69.03 3ktg n THR 168 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3ktg h ASP 169 N 1.66 0.26 -3.18 3.42 -0.00 -1.56 0.49 116.42 117.51 3ktg h ASP 169 Ca 0.00 0.02 -0.46 0.00 -0.00 0.00 0.00 57.03 56.59 3ktg h ASP 169 Cb 0.67 -0.03 -0.14 0.00 -0.00 0.00 0.00 39.33 39.83 3ktg h ASP 169 CO 0.00 0.19 -0.68 -0.13 -0.00 0.00 0.00 179.24 178.62 3ktg s ARG 170 N -6.16 1.46 0.02 0.28 3.00 -1.26 -4.67 118.95 111.62 3ktg s ARG 170 Ca -0.13 -1.73 -0.37 0.00 0.00 0.00 0.00 55.73 53.50 3ktg s ARG 170 Cb 0.11 -1.03 -0.16 0.00 0.00 0.00 0.00 34.95 33.87 3ktg s ARG 170 CO 0.71 0.03 1.43 -0.25 0.00 0.00 0.00 175.30 177.22 3ktg n ASP 171 N -0.51 1.83 -3.84 0.23 9.92 -1.26 -4.72 116.55 118.21 3ktg n ASP 171 Ca -0.06 1.11 -0.30 0.00 -0.53 0.00 0.00 54.79 55.01 3ktg n ASP 171 Cb 0.63 -1.19 -0.15 0.00 -0.64 0.00 0.00 41.12 39.77 3ktg n ASP 171 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3ktg s ASN 172 N 1.09 4.25 0.05 -2.24 3.04 -0.69 -5.01 114.94 115.43 3ktg s ASN 172 Ca 0.87 -2.01 -0.22 0.00 0.04 0.00 0.00 52.86 51.54 3ktg s ASN 172 Cb -0.97 -1.18 -0.06 0.00 -1.54 0.00 0.00 41.25 37.50 3ktg s ASN 172 CO 0.50 -0.38 0.66 -0.36 -3.04 0.00 0.00 177.10 174.48 3ktg s PHE 173 N 1.12 3.76 0.01 0.43 0.08 -1.26 -1.58 117.98 120.54 3ktg s PHE 173 Ca 0.12 1.35 0.04 0.00 0.12 0.00 0.00 56.93 58.56 3ktg s PHE 173 Cb -0.19 -2.66 -0.01 0.00 -0.57 0.00 0.00 43.02 39.59 3ktg s PHE 173 CO -0.15 0.41 -0.13 0.15 -0.10 0.00 0.00 175.22 175.40 3ktg s LYS 174 N -0.52 1.01 0.75 0.44 1.02 0.21 -4.98 119.74 117.66 3ktg s LYS 174 Ca 0.33 -0.56 -0.11 0.00 0.02 0.00 0.00 55.97 55.65 3ktg s LYS 174 Cb -0.20 -0.99 0.04 0.00 -0.52 0.00 0.00 37.83 36.17 3ktg s LYS 174 CO 0.20 0.26 1.08 -1.54 -0.92 0.00 0.00 175.35 174.44 3ktg s SER 175 N -0.57 4.93 0.28 2.83 1.04 -1.26 -2.03 113.70 118.91 3ktg s SER 175 Ca 0.04 1.41 0.01 0.00 0.48 0.00 0.00 55.95 57.89 3ktg s SER 175 Cb -0.06 -2.21 0.55 0.00 0.10 0.00 0.00 66.02 64.40 3ktg s SER 175 CO 0.00 -1.70 1.82 0.00 0.98 0.00 0.00 173.24 174.34 3ktg h ALA 176 N -0.90 1.47 -0.46 5.32 0.00 -1.76 0.73 119.26 123.65 3ktg h ALA 176 Ca -0.46 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 3ktg h ALA 176 Cb 1.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3ktg h ALA 176 CO 0.59 0.16 -0.05 0.93 0.00 0.00 0.00 179.25 180.88 3ktg h GLU 177 N 0.92 0.80 -0.15 0.00 5.08 -1.91 -1.27 114.58 118.05 3ktg h GLU 177 Ca 0.49 -0.24 -0.13 0.00 -1.00 0.00 0.00 59.36 58.49 3ktg h GLU 177 Cb 0.53 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3ktg h GLU 177 CO -0.28 0.83 -0.46 0.93 -1.00 0.00 0.00 179.01 179.03 3ktg h GLU 178 N 0.73 0.38 -0.76 2.33 5.08 -1.57 -1.71 114.58 119.06 3ktg h GLU 178 Ca 0.13 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3ktg h GLU 178 Cb 0.51 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3ktg h GLU 178 CO 0.03 0.77 0.26 0.00 -1.00 0.00 0.00 179.01 179.06 3ktg h ALA 179 N 1.20 1.01 -0.00 3.43 0.00 -0.41 -0.79 119.26 123.71 3ktg h ALA 179 Ca 0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ktg h ALA 179 Cb 0.94 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ktg h ALA 179 CO 0.08 0.67 0.00 1.25 0.00 0.00 0.00 179.25 181.25 3ktg h LEU 180 N 1.13 0.01 -1.68 0.00 5.85 -0.84 -1.23 115.31 118.54 3ktg h LEU 180 Ca 0.25 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3ktg h LEU 180 Cb 0.28 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3ktg h LEU 180 CO -0.01 0.22 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.79 3ktg h GLU 181 N -0.21 0.00 0.00 1.25 5.08 -1.19 -2.35 114.58 117.17 3ktg h GLU 181 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3ktg h GLU 181 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ktg h GLU 181 CO -0.00 0.18 -0.43 -0.92 -1.00 0.00 0.00 179.01 176.84 3ktg h TYR 182 N 0.00 0.00 0.00 4.33 3.20 -0.94 -3.47 116.97 120.09 3ktg h TYR 182 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ktg h TYR 182 Cb 0.43 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3ktg h TYR 182 CO 0.00 0.43 0.00 0.41 -1.64 0.00 0.00 178.16 177.36 3ktg n GLY 183 N 0.88 1.05 0.11 1.82 0.00 -0.88 -4.68 105.19 103.48 3ktg n GLY 183 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 3ktg n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ktg h LEU 184 N 0.00 0.10 -9.00 0.99 3.38 -1.46 -3.36 115.31 105.96 3ktg h LEU 184 Ca 0.00 -0.08 -0.40 0.00 0.09 0.00 0.00 57.88 57.48 3ktg h LEU 184 Cb 0.00 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.58 3ktg h LEU 184 CO 0.00 0.88 -0.58 0.27 0.09 0.00 0.00 178.44 179.10 3ktg s ILE 185 N -3.19 0.51 -0.11 1.22 -4.36 -1.21 -4.04 121.20 110.03 3ktg s ILE 185 Ca -0.01 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.41 3ktg s ILE 185 Cb 0.11 -2.57 -0.09 0.00 1.25 0.00 0.00 42.46 41.16 3ktg s ILE 185 CO 0.81 0.00 -0.06 0.47 0.24 0.00 0.00 174.94 176.40 3ktg n ASP 186 N -0.76 3.01 -3.93 4.36 8.00 0.11 -4.61 116.55 122.74 3ktg n ASP 186 Ca -0.00 -0.04 -0.10 0.00 0.71 0.00 0.00 54.79 55.36 3ktg n ASP 186 Cb 0.66 0.12 -0.11 0.00 -0.02 0.00 0.00 41.12 41.76 3ktg n ASP 186 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ktg s LYS 187 N -2.22 0.30 -0.37 -1.24 2.20 -1.09 -5.04 119.74 112.27 3ktg s LYS 187 Ca -0.12 -0.43 -0.10 0.00 -0.36 0.00 0.00 55.97 54.96 3ktg s LYS 187 Cb 0.04 0.11 0.04 0.00 -1.51 0.00 0.00 37.83 36.50 3ktg s LYS 187 CO 0.30 -0.06 0.19 0.42 -0.36 0.00 0.00 175.35 175.84 3ktg s ILE 188 N -1.15 4.39 0.52 5.43 1.01 -1.26 -2.71 121.20 127.44 3ktg s ILE 188 Ca -0.13 -0.97 -0.20 0.00 0.00 0.00 0.00 60.65 59.35 3ktg s ILE 188 Cb -0.08 -3.49 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 3ktg s ILE 188 CO -0.00 -0.26 1.12 -0.76 0.00 0.00 0.00 174.94 175.04 3ktg s LEU 189 N 1.51 3.80 0.00 2.97 1.43 -0.55 -4.91 118.68 122.93 3ktg s LEU 189 Ca 0.01 2.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 3ktg s LEU 189 Cb -0.20 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.49 3ktg s LEU 189 CO 0.06 -1.11 0.00 0.35 0.23 0.00 0.00 176.35 175.88 3ktg n THR 190 N -1.14 0.00 -4.11 5.49 -2.24 -1.26 -3.53 114.28 107.48 3ktg n THR 190 Ca 0.11 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.67 3ktg n THR 190 Cb 0.51 -0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 3ktg n THR 190 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ktg s HIS 191 N -1.79 3.11 0.34 4.78 3.76 -1.26 -5.01 115.29 119.22 3ktg s HIS 191 Ca 0.00 -0.11 0.37 0.00 -0.15 0.00 0.00 55.06 55.17 3ktg s HIS 191 Cb 0.00 -1.40 1.96 0.00 1.11 0.00 0.00 32.58 34.24 3ktg s HIS 191 CO 0.00 0.52 2.13 1.37 -0.85 0.00 0.00 174.74 177.90 3ktg h LEU 192 N 1.49 0.00 0.00 0.89 -0.00 -1.99 -2.38 115.31 113.32 3ktg h LEU 192 Ca -0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.32 3ktg h LEU 192 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.88 3ktg h LEU 192 CO 0.61 0.00 -2.08 -1.84 -0.00 0.00 0.00 178.44 175.13 3ktg n GLU 193 N -2.82 0.67 0.02 0.17 -0.00 -1.26 -4.30 120.64 113.11 3ktg n GLU 193 Ca -0.02 -0.16 0.01 0.00 -0.00 0.00 0.00 57.16 56.99 3ktg n GLU 193 Cb 0.08 -1.52 0.05 0.00 -0.00 0.00 0.00 31.44 30.05 3ktg n GLU 193 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3ktg n HIS 194 N -2.36 0.06 -3.28 -1.84 8.25 -0.90 -4.42 115.22 110.73 3ktg n HIS 194 Ca -0.10 0.03 -0.38 0.00 -0.26 0.00 0.00 57.72 57.02 3ktg n HIS 194 Cb 0.69 -0.39 -0.06 0.00 1.12 0.00 0.00 29.99 31.35 3ktg n HIS 194 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ktg s HIS 195 N -2.76 3.75 0.08 4.41 2.46 -1.26 -4.92 115.29 117.05 3ktg s HIS 195 Ca -0.00 1.24 0.31 0.00 0.47 0.00 0.00 55.06 57.07 3ktg s HIS 195 Cb 0.01 -2.48 1.59 0.00 -0.13 0.00 0.00 32.58 31.57 3ktg s HIS 195 CO 0.02 0.53 1.94 1.12 -2.47 0.00 0.00 174.74 175.87 3ktg h HIS 196 N 4.20 0.00 -0.15 3.88 2.07 -1.95 -2.51 115.15 120.69 3ktg h HIS 196 Ca -0.49 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 56.97 3ktg h HIS 196 Cb 1.21 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.18 3ktg h HIS 196 CO 0.67 0.00 -0.14 1.25 -3.07 0.00 0.00 177.93 176.64 3ktg h HIS 197 N 0.00 0.42 -0.01 6.12 6.17 -1.93 -3.54 115.15 122.38 3ktg h HIS 197 Ca 0.00 -0.12 0.00 0.00 0.71 0.00 0.00 60.37 60.96 3ktg h HIS 197 Cb 0.09 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 29.93 3ktg h HIS 197 CO 0.00 0.73 0.00 0.72 0.71 0.00 0.00 177.93 180.09