#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 2.69 -0.03 6.28 0.04 -1.26 -4.73 135.00 138.00 3ktg s PRO 4 Ca 0.00 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 3ktg s PRO 4 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3ktg s PRO 4 CO 0.00 -1.32 0.04 0.95 0.04 0.00 0.00 177.00 176.70 3ktg s THR 5 N -2.47 4.49 -0.07 1.26 -4.23 -1.26 -0.65 115.64 112.71 3ktg s THR 5 Ca 0.66 -0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.79 3ktg s THR 5 Cb -0.20 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.63 3ktg s THR 5 CO 0.45 0.44 -0.11 -0.69 -0.54 0.00 0.00 174.62 174.16 3ktg s VAL 6 N -1.07 3.32 -0.05 2.29 1.01 0.22 -4.93 120.40 121.19 3ktg s VAL 6 Ca 0.19 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3ktg s VAL 6 Cb -0.12 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3ktg s VAL 6 CO 0.09 0.58 -0.15 0.27 0.00 0.00 0.00 175.10 175.89 3ktg s ILE 7 N -0.57 1.28 -0.17 2.22 -4.36 -1.26 0.39 121.20 118.73 3ktg s ILE 7 Ca 0.08 -0.61 0.00 0.00 -0.26 0.00 0.00 60.65 59.86 3ktg s ILE 7 Cb -0.12 -1.13 0.00 0.00 1.25 0.00 0.00 42.46 42.47 3ktg s ILE 7 CO 0.02 0.38 -0.16 0.00 0.24 0.00 0.00 174.94 175.42 3ktg s ALA 16 N 0.26 2.46 0.13 2.27 0.00 -1.26 -5.23 121.76 120.41 3ktg s ALA 16 Ca -0.08 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 50.83 3ktg s ALA 16 Cb -0.13 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 3ktg s ALA 16 CO 0.03 -0.17 -0.15 0.71 0.00 0.00 0.00 175.76 176.18 3ktg s TYR 17 N 1.03 1.48 0.50 0.00 2.02 0.16 -5.10 117.35 117.44 3ktg s TYR 17 Ca -0.01 -0.55 -0.06 0.00 -0.37 0.00 0.00 57.07 56.08 3ktg s TYR 17 Cb -0.15 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 3ktg s TYR 17 CO -0.04 0.18 0.81 0.16 -1.57 0.00 0.00 175.55 175.09 3ktg s ASP 18 N -2.55 6.25 0.19 2.29 -4.77 -1.26 0.71 116.67 117.52 3ktg s ASP 18 Ca 0.11 0.97 -0.14 0.00 -3.30 0.00 0.00 52.55 50.20 3ktg s ASP 18 Cb -0.05 -2.26 0.20 0.00 -1.09 0.00 0.00 42.92 39.73 3ktg s ASP 18 CO 0.04 -0.62 1.67 -0.29 0.70 0.00 0.00 175.17 176.67 3ktg h ILE 19 N 0.16 0.56 -1.00 2.11 6.09 -1.17 -0.97 117.51 123.29 3ktg h ILE 19 Ca -0.47 -0.03 0.01 0.00 -1.37 0.00 0.00 64.86 63.00 3ktg h ILE 19 Cb 1.20 0.47 -0.05 0.00 0.47 0.00 0.00 36.82 38.91 3ktg h ILE 19 CO 0.62 0.02 0.66 1.88 -3.07 0.00 0.00 178.15 178.25 3ktg h TYR 20 N 0.09 1.26 -0.53 2.19 0.05 -1.93 -1.61 116.97 116.48 3ktg h TYR 20 Ca 0.26 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.99 3ktg h TYR 20 Cb 0.40 -0.43 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 3ktg h TYR 20 CO -0.35 0.80 0.02 1.03 -1.05 0.00 0.00 178.16 178.61 3ktg h SER 21 N 1.36 0.85 -0.73 3.88 0.87 -1.68 0.50 113.55 118.59 3ktg h SER 21 Ca 0.37 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3ktg h SER 21 Cb -0.15 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.55 3ktg h SER 21 CO -0.08 0.90 0.39 -0.09 -0.53 0.00 0.00 176.83 177.42 3ktg h ARG 22 N 0.82 1.03 -0.37 2.24 9.65 -0.30 -1.77 114.38 125.69 3ktg h ARG 22 Ca 0.16 -0.13 -0.11 0.00 -1.10 0.00 0.00 59.98 58.80 3ktg h ARG 22 Cb 0.46 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 3ktg h ARG 22 CO 0.02 0.78 -0.21 -0.07 2.80 0.00 0.00 179.97 183.29 3ktg h LEU 23 N 1.02 0.72 -1.31 3.80 -0.00 -0.92 -2.61 115.31 116.00 3ktg h LEU 23 Ca 0.26 -0.25 0.08 0.00 -0.00 0.00 0.00 57.88 57.97 3ktg h LEU 23 Cb 0.06 -0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 40.47 3ktg h LEU 23 CO -0.04 0.92 0.52 0.25 -0.00 0.00 0.00 178.44 180.09 3ktg h LEU 24 N 0.62 0.71 -1.65 1.67 5.85 -0.12 -0.01 115.31 122.38 3ktg h LEU 24 Ca 0.09 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.93 3ktg h LEU 24 Cb 0.70 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3ktg h LEU 24 CO 0.05 0.44 0.42 0.50 -0.34 0.00 0.00 178.44 179.51 3ktg h LYS 25 N 0.80 0.37 -0.87 1.25 3.64 -0.94 0.11 116.57 120.92 3ktg h LYS 25 Ca 0.36 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.47 3ktg h LYS 25 Cb 0.35 -0.08 -0.15 0.00 -0.41 0.00 0.00 32.23 31.94 3ktg h LYS 25 CO -0.13 0.24 0.31 -0.25 -2.27 0.00 0.00 179.45 177.35 3ktg n ASP 26 N -4.47 4.06 -3.53 4.20 8.00 -0.08 -4.88 116.55 119.85 3ktg n ASP 26 Ca 0.11 -3.05 -0.20 0.00 0.71 0.00 0.00 54.79 52.35 3ktg n ASP 26 Cb 0.42 -0.72 0.08 0.00 -0.02 0.00 0.00 41.12 40.88 3ktg n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ktg n ARG 27 N -0.27 -7.00 -4.49 -1.24 1.74 0.38 -4.88 116.66 100.90 3ktg n ARG 27 Ca 0.37 0.82 -0.32 0.00 -0.77 0.00 0.00 57.85 57.95 3ktg n ARG 27 Cb 1.26 -5.82 -0.16 0.00 -1.02 0.00 0.00 32.46 26.71 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 -3.36 1.98 -0.12 0.55 -1.09 -0.83 -1.27 121.20 117.05 3ktg s ILE 28 Ca 0.25 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 3ktg s ILE 28 Cb -0.11 -1.76 -0.01 0.00 -1.58 0.00 0.00 42.46 39.00 3ktg s ILE 28 CO 0.74 0.53 -0.18 -0.63 -1.23 0.00 0.00 174.94 174.18 3ktg s ILE 29 N 0.98 2.61 -0.19 2.92 1.01 0.44 -2.91 121.20 126.05 3ktg s ILE 29 Ca -0.04 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 3ktg s ILE 29 Cb -0.15 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 3ktg s ILE 29 CO -0.05 0.54 0.03 -0.04 0.00 0.00 0.00 174.94 175.42 3ktg s MET 30 N 0.44 3.78 -0.31 2.79 -1.94 -1.26 -0.66 119.30 122.14 3ktg s MET 30 Ca -0.13 -0.44 0.03 0.00 -1.71 0.00 0.00 55.69 53.44 3ktg s MET 30 Cb -0.17 -3.14 0.08 0.00 2.01 0.00 0.00 34.83 33.61 3ktg s MET 30 CO 0.06 0.13 -0.00 -1.17 -0.01 0.00 0.00 175.02 174.03 3ktg s LEU 31 N 0.72 4.27 -0.12 -0.03 2.96 -0.56 -4.95 118.68 120.97 3ktg s LEU 31 Ca 0.02 -1.82 0.19 0.00 -0.22 0.00 0.00 54.13 52.29 3ktg s LEU 31 Cb -0.14 -1.62 0.43 0.00 0.50 0.00 0.00 46.19 45.37 3ktg s LEU 31 CO 0.02 -0.31 1.19 0.61 -1.32 0.00 0.00 176.35 176.53 3ktg n GLY 32 N 4.36 3.00 3.33 7.98 0.00 -1.25 -0.60 105.19 122.01 3ktg n GLY 32 Ca -0.04 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.69 0.08 0.79 1.61 1.04 -1.21 -4.83 113.70 108.49 3ktg s SER 33 Ca 0.36 -1.12 -0.14 0.00 0.48 0.00 0.00 55.95 55.53 3ktg s SER 33 Cb 0.38 0.44 0.06 0.00 0.10 0.00 0.00 66.02 67.00 3ktg s SER 33 CO -0.11 -0.92 1.17 0.00 0.98 0.00 0.00 173.24 174.36 3ktg n ALA 34 N -0.26 0.01 -2.66 5.32 0.00 -1.26 -4.60 120.51 117.06 3ktg n ALA 34 Ca -0.02 -0.29 -0.44 0.00 0.00 0.00 0.00 53.44 52.69 3ktg n ALA 34 Cb 0.64 -2.23 -0.08 0.00 0.00 0.00 0.00 19.45 17.78 3ktg n ALA 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ktg s ILE 35 N -2.02 5.06 0.46 0.00 1.01 0.44 -4.86 121.20 121.29 3ktg s ILE 35 Ca 0.74 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.85 3ktg s ILE 35 Cb -0.30 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 3ktg s ILE 35 CO 0.50 -0.58 0.05 1.51 0.00 0.00 0.00 174.94 176.42 3ktg s ASP 36 N 2.26 3.61 0.28 3.58 1.47 -1.26 0.03 116.67 126.63 3ktg s ASP 36 Ca 0.11 -1.64 0.01 0.00 1.18 0.00 0.00 52.55 52.22 3ktg s ASP 36 Cb -0.19 0.44 0.63 0.00 -0.34 0.00 0.00 42.92 43.46 3ktg s ASP 36 CO 0.11 -0.85 1.73 0.44 0.68 0.00 0.00 175.17 177.29 3ktg h ASP 37 N 1.55 0.43 0.24 2.11 3.45 -1.96 -2.01 116.42 120.23 3ktg h ASP 37 Ca -0.41 0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.17 3ktg h ASP 37 Cb 1.29 0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 40.13 3ktg h ASP 37 CO 0.69 0.11 -0.14 0.78 -1.57 0.00 0.00 179.24 179.10 3ktg h ASN 38 N 0.51 -0.36 -0.46 6.45 2.35 -1.98 -0.59 115.58 121.50 3ktg h ASN 38 Ca 0.51 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 56.35 3ktg h ASN 38 Cb 0.86 0.11 -0.05 0.00 0.05 0.00 0.00 38.32 39.29 3ktg h ASN 38 CO -0.45 -0.23 0.15 0.58 -1.65 0.00 0.00 177.43 175.83 3ktg h VAL 39 N -0.37 0.83 -0.33 2.81 2.07 -1.74 0.42 116.25 119.94 3ktg h VAL 39 Ca -0.02 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3ktg h VAL 39 Cb 0.31 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3ktg h VAL 39 CO 0.02 0.06 0.15 0.00 0.02 0.00 0.00 177.57 177.82 3ktg h ALA 40 N 1.31 0.43 -0.42 1.67 0.00 -1.27 -0.15 119.26 120.82 3ktg h ALA 40 Ca 0.22 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.10 3ktg h ALA 40 Cb 0.23 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3ktg h ALA 40 CO -0.23 -0.00 -0.02 -0.97 0.00 0.00 0.00 179.25 178.02 3ktg h ASN 41 N 0.39 -0.21 -0.13 0.00 -0.00 -0.41 0.49 115.58 115.70 3ktg h ASN 41 Ca 0.11 0.10 -0.02 0.00 -0.00 0.00 0.00 56.30 56.50 3ktg h ASN 41 Cb 0.13 0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.64 3ktg h ASN 41 CO -0.01 -0.07 0.02 -1.28 -0.00 0.00 0.00 177.43 176.09 3ktg h SER 42 N 0.09 0.22 -0.27 1.15 0.87 -0.67 -2.05 113.55 112.88 3ktg h SER 42 Ca 0.21 -0.27 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 3ktg h SER 42 Cb 0.30 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 3ktg h SER 42 CO -0.36 0.44 -0.05 0.40 -0.53 0.00 0.00 176.83 176.73 3ktg h ILE 43 N -0.01 1.23 -0.41 2.23 2.04 -0.65 -1.46 117.51 120.49 3ktg h ILE 43 Ca 0.04 -0.97 -0.12 0.00 1.00 0.00 0.00 64.86 64.81 3ktg h ILE 43 Cb 0.31 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3ktg h ILE 43 CO 0.00 0.33 -0.20 0.58 0.00 0.00 0.00 178.15 178.87 3ktg h VAL 44 N 0.59 1.28 -0.53 1.67 2.07 0.04 -0.82 116.25 120.56 3ktg h VAL 44 Ca 0.12 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 3ktg h VAL 44 Cb 0.45 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3ktg h VAL 44 CO 0.02 0.45 0.19 0.28 0.02 0.00 0.00 177.57 178.53 3ktg h SER 45 N 0.67 0.74 -0.70 0.57 0.02 -1.19 -0.87 113.55 112.79 3ktg h SER 45 Ca 0.09 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3ktg h SER 45 Cb 0.76 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 3ktg h SER 45 CO 0.06 0.73 0.43 1.56 -1.14 0.00 0.00 176.83 178.47 3ktg h GLN 46 N 0.72 0.94 -0.28 3.45 4.20 -1.10 0.17 115.11 123.21 3ktg h GLN 46 Ca 0.17 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3ktg h GLN 46 Cb 0.23 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3ktg h GLN 46 CO -0.01 0.66 0.12 -0.07 -0.67 0.00 0.00 178.83 178.85 3ktg h LEU 47 N 0.95 0.39 -0.68 1.46 3.38 -0.81 -1.74 115.31 118.26 3ktg h LEU 47 Ca 0.25 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3ktg h LEU 47 Cb -0.05 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3ktg h LEU 47 CO -0.05 0.44 0.23 -0.07 0.09 0.00 0.00 178.44 179.08 3ktg h LEU 48 N 0.31 0.97 0.27 1.67 3.38 -0.81 -1.66 115.31 119.44 3ktg h LEU 48 Ca 0.09 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3ktg h LEU 48 Cb 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3ktg h LEU 48 CO -0.01 0.91 -0.22 0.15 0.09 0.00 0.00 178.44 179.36 3ktg h PHE 49 N 0.98 -0.58 -0.29 1.13 3.57 -0.48 -1.27 116.94 120.00 3ktg h PHE 49 Ca 0.22 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.75 3ktg h PHE 49 Cb 0.27 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 3ktg h PHE 49 CO 0.02 -0.33 0.12 -0.07 -2.23 0.00 0.00 178.31 175.82 3ktg h LEU 50 N -0.50 0.16 -2.01 0.59 3.38 -1.23 0.03 115.31 115.72 3ktg h LEU 50 Ca -0.01 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3ktg h LEU 50 Cb 0.45 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3ktg h LEU 50 CO -0.02 0.13 0.25 0.00 0.09 0.00 0.00 178.44 178.88 3ktg h ALA 51 N 1.17 2.30 0.03 1.53 0.00 -1.09 0.78 119.26 123.98 3ktg h ALA 51 Ca 0.13 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 3ktg h ALA 51 Cb 0.07 0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.91 3ktg h ALA 51 CO -0.11 -0.42 -0.97 0.00 0.00 0.00 0.00 179.25 177.75 3ktg h ALA 52 N 1.82 0.07 -0.37 0.00 0.00 -0.11 -2.23 119.26 118.43 3ktg h ALA 52 Ca 0.16 -0.68 0.04 0.00 0.00 0.00 0.00 54.91 54.43 3ktg h ALA 52 Cb 0.66 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3ktg h ALA 52 CO -0.00 0.58 0.14 0.93 0.00 0.00 0.00 179.25 180.90 3ktg h GLU 53 N 0.20 0.28 -0.89 0.00 4.39 0.94 -3.41 114.58 116.10 3ktg h GLU 53 Ca -0.13 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.61 3ktg h GLU 53 Cb 1.65 -0.06 -0.21 0.00 -0.10 0.00 0.00 28.75 30.03 3ktg h GLU 53 CO 0.19 0.19 -0.32 0.34 -1.16 0.00 0.00 179.01 178.24 3ktg s ASP 54 N -5.37 -1.45 0.05 1.42 -1.08 -0.10 -5.03 116.67 105.12 3ktg s ASP 54 Ca -0.13 0.16 0.10 0.00 -0.52 0.00 0.00 52.55 52.15 3ktg s ASP 54 Cb 0.12 1.92 0.43 0.00 -1.46 0.00 0.00 42.92 43.93 3ktg s ASP 54 CO 0.71 -0.26 1.30 -0.81 0.52 0.00 0.00 175.17 176.63 3ktg n PRO 55 N 5.36 0.03 -0.09 4.34 -0.04 -0.84 -2.72 135.00 141.04 3ktg n PRO 55 Ca 0.06 0.41 -0.14 0.00 -0.04 0.00 0.00 63.50 63.79 3ktg n PRO 55 Cb 0.55 -1.57 -0.14 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.63 0.68 -2.09 0.54 -0.58 -1.26 -2.30 120.64 113.99 3ktg n GLU 56 Ca 0.01 0.12 -0.42 0.00 -0.42 0.00 0.00 57.16 56.45 3ktg n GLU 56 Cb 0.09 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.35 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 4.28 0.82 3.49 -0.14 -1.10 -4.79 119.74 119.78 3ktg s LYS 57 Ca -0.19 2.17 -0.11 0.00 -1.36 0.00 0.00 55.97 56.48 3ktg s LYS 57 Cb 0.07 -3.27 0.09 0.00 -1.68 0.00 0.00 37.83 33.04 3ktg s LYS 57 CO 0.75 -0.52 1.14 -2.00 -0.76 0.00 0.00 175.35 173.97 3ktg s GLU 58 N 1.32 1.68 0.00 1.68 2.12 -1.26 -4.59 118.70 119.65 3ktg s GLU 58 Ca 0.67 1.48 0.06 0.00 0.36 0.00 0.00 54.97 57.54 3ktg s GLU 58 Cb -0.39 -1.81 -0.02 0.00 0.26 0.00 0.00 34.13 32.18 3ktg s GLU 58 CO 0.30 -2.13 -0.18 0.42 -0.54 0.00 0.00 175.26 173.14 3ktg s ILE 59 N -2.56 1.41 -0.22 -3.70 1.01 -0.45 -4.91 121.20 111.77 3ktg s ILE 59 Ca 0.67 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 3ktg s ILE 59 Cb -0.22 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 3ktg s ILE 59 CO 0.54 0.33 -0.03 -0.44 0.00 0.00 0.00 174.94 175.33 3ktg s SER 60 N -0.60 4.38 -0.33 3.58 0.01 -0.40 -0.06 113.70 120.28 3ktg s SER 60 Ca 0.06 -0.37 -0.03 0.00 1.31 0.00 0.00 55.95 56.92 3ktg s SER 60 Cb -0.07 -1.75 0.05 0.00 0.21 0.00 0.00 66.02 64.46 3ktg s SER 60 CO -0.00 -0.01 0.06 -0.22 0.41 0.00 0.00 173.24 173.48 3ktg s LEU 61 N 1.45 4.21 0.16 2.44 2.96 0.11 -0.42 118.68 129.60 3ktg s LEU 61 Ca 0.05 -1.32 -0.29 0.00 -0.22 0.00 0.00 54.13 52.35 3ktg s LEU 61 Cb -0.14 -1.78 -0.07 0.00 0.50 0.00 0.00 46.19 44.69 3ktg s LEU 61 CO -0.02 -0.32 0.92 -0.31 -1.32 0.00 0.00 176.35 175.29 3ktg s TYR 62 N 1.29 3.89 -0.14 5.38 1.51 0.16 -1.96 117.35 127.48 3ktg s TYR 62 Ca -0.02 1.80 0.00 0.00 -1.01 0.00 0.00 57.07 57.84 3ktg s TYR 62 Cb -0.20 -2.97 0.02 0.00 -0.11 0.00 0.00 41.96 38.70 3ktg s TYR 62 CO -0.00 0.35 -0.11 0.42 -1.11 0.00 0.00 175.55 175.09 3ktg s ILE 63 N -0.60 1.35 -0.40 2.71 1.01 0.37 -1.50 121.20 124.14 3ktg s ILE 63 Ca 0.43 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.60 3ktg s ILE 63 Cb -0.24 -1.32 0.16 0.00 0.01 0.00 0.00 42.46 41.08 3ktg s ILE 63 CO 0.30 0.41 0.40 0.21 0.00 0.00 0.00 174.94 176.26 3ktg s ASN 64 N 1.57 1.00 -0.03 3.58 2.47 0.24 -2.05 114.94 121.72 3ktg s ASN 64 Ca 0.05 -1.97 -0.15 0.00 0.42 0.00 0.00 52.86 51.21 3ktg s ASN 64 Cb -0.13 0.46 0.03 0.00 -1.45 0.00 0.00 41.25 40.15 3ktg s ASN 64 CO -0.10 -0.22 0.33 -0.94 -3.72 0.00 0.00 177.10 172.46 3ktg s SER 65 N 1.03 -0.23 0.00 -4.21 1.04 -0.06 -3.30 113.70 107.98 3ktg s SER 65 Ca 0.22 0.17 0.23 0.00 0.48 0.00 0.00 55.95 57.05 3ktg s SER 65 Cb -0.10 0.36 1.19 0.00 0.10 0.00 0.00 66.02 67.57 3ktg s SER 65 CO -0.06 -0.42 1.76 -0.81 0.98 0.00 0.00 173.24 174.69 3ktg n PRO 66 N 1.41 0.37 0.00 4.02 -0.04 -1.26 -1.84 135.00 137.66 3ktg n PRO 66 Ca -0.21 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 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 0.66 0.24 0.00 0.55 0.00 -1.20 -4.28 105.19 101.17 3ktg n GLY 67 Ca 0.12 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 0.03 3.73 -0.02 0.00 -1.26 0.17 105.19 107.83 3ktg n GLY 68 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 6.83 0.28 1.61 0.15 0.10 -4.84 113.70 113.83 3ktg s SER 69 Ca 0.00 2.39 0.01 0.00 0.70 0.00 0.00 55.95 59.05 3ktg s SER 69 Cb 0.00 -2.60 0.40 0.00 -1.71 0.00 0.00 66.02 62.11 3ktg s SER 69 CO 0.00 -0.62 1.75 0.40 1.20 0.00 0.00 173.24 175.97 3ktg h ILE 70 N 4.00 1.25 -0.06 6.45 2.04 -1.98 -1.01 117.51 128.20 3ktg h ILE 70 Ca -0.43 -1.12 -0.19 0.00 1.00 0.00 0.00 64.86 64.12 3ktg h ILE 70 Cb 1.21 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 3ktg h ILE 70 CO 0.83 0.37 -0.75 0.71 0.00 0.00 0.00 178.15 179.31 3ktg h THR 71 N 0.55 1.39 -0.27 -0.27 1.35 -1.97 -1.57 112.91 112.12 3ktg h THR 71 Ca 0.09 -2.20 -0.04 0.00 -0.55 0.00 0.00 66.41 63.72 3ktg h THR 71 Cb 0.56 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 69.13 3ktg h THR 71 CO 0.04 0.66 0.01 0.00 -0.25 0.00 0.00 175.52 175.97 3ktg h ALA 72 N 0.94 0.36 -0.86 6.62 0.00 -1.84 -1.53 119.26 122.95 3ktg h ALA 72 Ca -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3ktg h ALA 72 Cb 1.33 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3ktg h ALA 72 CO 0.13 0.08 0.49 0.78 0.00 0.00 0.00 179.25 180.73 3ktg h GLY 73 N 0.25 1.27 2.00 0.00 0.00 -1.11 -1.47 103.07 104.02 3ktg h GLY 73 Ca 0.08 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 3ktg h GLY 73 CO 0.01 0.53 -0.26 -0.33 0.00 0.00 0.00 176.54 176.49 3ktg h MET 74 N 1.19 0.00 -0.19 4.80 2.86 -1.16 0.25 114.93 122.69 3ktg h MET 74 Ca 0.31 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.91 3ktg h MET 74 Cb -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3ktg h MET 74 CO -0.05 0.26 -0.00 0.00 1.06 0.00 0.00 176.91 178.18 3ktg h ALA 75 N 1.74 0.26 -0.22 6.32 0.00 -0.25 0.35 119.26 127.45 3ktg h ALA 75 Ca -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3ktg h ALA 75 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3ktg h ALA 75 CO 0.03 -0.03 0.04 0.82 0.00 0.00 0.00 179.25 180.12 3ktg h ILE 76 N 0.09 1.22 0.30 0.00 2.04 -0.93 -2.93 117.51 117.31 3ktg h ILE 76 Ca 0.05 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3ktg h ILE 76 Cb 0.39 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3ktg h ILE 76 CO 0.01 0.23 -0.39 0.22 0.00 0.00 0.00 178.15 178.22 3ktg h TYR 77 N 0.17 -1.08 -0.03 1.37 3.20 -0.40 -1.77 116.97 118.43 3ktg h TYR 77 Ca 0.07 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.96 3ktg h TYR 77 Cb 0.31 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 3ktg h TYR 77 CO 0.02 -0.53 0.03 -0.44 -1.64 0.00 0.00 178.16 175.60 3ktg h ASP 78 N -0.75 0.00 -0.03 -2.11 3.45 -0.98 -2.36 116.42 113.63 3ktg h ASP 78 Ca -0.01 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.35 3ktg h ASP 78 Cb 0.70 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.48 3ktg h ASP 78 CO -0.12 0.00 -0.37 0.74 -1.57 0.00 0.00 179.24 177.92 3ktg h THR 79 N 0.00 1.46 -0.91 0.35 2.02 -1.26 -0.29 112.91 114.28 3ktg h THR 79 Ca 0.02 -1.87 0.14 0.00 0.77 0.00 0.00 66.41 65.46 3ktg h THR 79 Cb 0.07 2.51 -0.09 0.00 -1.74 0.00 0.00 68.15 68.90 3ktg h THR 79 CO -0.00 0.53 0.52 0.24 0.37 0.00 0.00 175.52 177.18 3ktg h MET 80 N -0.23 0.74 0.00 6.66 2.86 -0.83 -0.17 114.93 123.96 3ktg h MET 80 Ca -0.04 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.41 3ktg h MET 80 Cb 1.06 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 3ktg h MET 80 CO 0.07 0.49 -0.69 1.96 1.06 0.00 0.00 176.91 179.80 3ktg h GLN 81 N 0.76 0.00 0.00 1.72 1.08 -1.46 -3.34 115.11 113.87 3ktg h GLN 81 Ca 0.48 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.49 3ktg h GLN 81 Cb 0.60 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.01 3ktg h GLN 81 CO -0.32 0.69 -0.90 0.35 -0.95 0.00 0.00 178.83 177.71 3ktg h PHE 82 N 0.00 0.00 -3.78 2.96 3.57 0.72 -3.46 116.94 116.95 3ktg h PHE 82 Ca -0.01 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 61.01 3ktg h PHE 82 Cb 1.47 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 3ktg h PHE 82 CO 0.00 0.90 0.15 0.96 -2.23 0.00 0.00 178.31 178.08 3ktg s ILE 83 N -2.91 4.69 0.14 1.41 -4.36 -0.59 -4.99 121.20 114.59 3ktg s ILE 83 Ca 0.01 0.88 -0.15 0.00 -0.26 0.00 0.00 60.65 61.12 3ktg s ILE 83 Cb 0.10 -3.66 0.01 0.00 1.25 0.00 0.00 42.46 40.16 3ktg s ILE 83 CO 0.80 -0.37 1.72 0.11 0.24 0.00 0.00 174.94 177.44 3ktg h LYS 84 N 1.73 0.62 -6.56 0.37 6.56 -1.89 -3.44 116.57 113.97 3ktg h LYS 84 Ca -0.48 -0.09 -0.59 0.00 -1.06 0.00 0.00 60.65 58.43 3ktg h LYS 84 Cb 1.18 -0.11 0.13 0.00 -0.57 0.00 0.00 32.23 32.86 3ktg h LYS 84 CO 0.64 0.54 0.04 -2.30 -2.06 0.00 0.00 179.45 176.31 3ktg n PRO 85 N -4.66 1.18 -3.19 3.15 -0.02 -0.97 -4.93 135.00 125.55 3ktg n PRO 85 Ca 0.01 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.52 3ktg n PRO 85 Cb 0.12 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.87 4.31 -0.27 -0.52 1.02 -1.26 -4.91 119.74 116.24 3ktg s LYS 86 Ca 0.63 0.81 -0.07 0.00 0.02 0.00 0.00 55.97 57.36 3ktg s LYS 86 Cb -0.59 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.42 3ktg s LYS 86 CO 0.57 0.52 0.07 0.08 -0.92 0.00 0.00 175.35 175.66 3ktg s VAL 87 N -0.73 4.10 -0.06 3.17 1.01 -1.26 -1.35 120.40 125.28 3ktg s VAL 87 Ca 0.31 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.71 3ktg s VAL 87 Cb -0.20 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 3ktg s VAL 87 CO 0.20 0.24 0.48 -0.55 0.00 0.00 0.00 175.10 175.47 3ktg s SER 88 N 1.56 6.78 -0.06 3.32 0.15 0.91 -0.55 113.70 125.81 3ktg s SER 88 Ca 0.05 0.92 0.02 0.00 0.70 0.00 0.00 55.95 57.65 3ktg s SER 88 Cb -0.16 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 3ktg s SER 88 CO 0.03 0.12 -0.11 0.42 1.20 0.00 0.00 173.24 174.89 3ktg s THR 89 N -0.04 3.31 -0.14 6.45 -4.23 -0.87 0.09 115.64 120.22 3ktg s THR 89 Ca 0.26 -0.63 -0.00 0.00 -1.18 0.00 0.00 61.69 60.14 3ktg s THR 89 Cb -0.16 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.38 3ktg s THR 89 CO 0.12 0.59 -0.09 -0.63 -0.54 0.00 0.00 174.62 174.08 3ktg s ILE 90 N -0.73 1.21 -0.11 2.99 1.09 -0.83 0.83 121.20 125.66 3ktg s ILE 90 Ca 0.11 -0.50 -0.25 0.00 -1.10 0.00 0.00 60.65 58.91 3ktg s ILE 90 Cb -0.11 -1.25 -0.03 0.00 -1.06 0.00 0.00 42.46 40.02 3ktg s ILE 90 CO 0.01 0.32 0.79 0.00 -0.10 0.00 0.00 174.94 175.96 3ktg s ILE 92 N 1.47 0.38 0.00 0.00 2.07 -0.87 -1.84 121.20 122.41 3ktg s ILE 92 Ca 0.39 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.71 3ktg s ILE 92 Cb -0.18 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 41.90 3ktg s ILE 92 CO 0.17 0.24 0.00 0.61 -1.91 0.00 0.00 174.94 174.05 3ktg n GLY 93 N 4.84 1.79 2.92 1.50 0.00 -1.26 -4.06 105.19 110.91 3ktg n GLY 93 Ca -0.12 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 0.08 -0.55 1.61 -2.45 -1.26 -1.13 119.30 115.60 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 -0.09 0.14 0.00 1.25 0.00 0.00 34.83 36.13 3ktg s MET 94 CO 0.00 -0.10 0.31 0.00 1.05 0.00 0.00 175.02 176.28 3ktg s ALA 95 N 0.67 3.38 0.17 4.11 0.00 0.60 -0.88 121.76 129.81 3ktg s ALA 95 Ca -0.05 -3.30 0.06 0.00 0.00 0.00 0.00 51.96 48.67 3ktg s ALA 95 Cb -0.07 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3ktg s ALA 95 CO -0.03 -2.04 0.09 0.00 0.00 0.00 0.00 175.76 173.78 3ktg s ALA 96 N -0.30 3.46 0.00 0.00 0.00 -0.76 -1.49 121.76 122.67 3ktg s ALA 96 Ca 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3ktg s ALA 96 Cb -0.24 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.63 3ktg s ALA 96 CO -0.01 0.50 0.00 0.45 0.00 0.00 0.00 175.76 176.70 3ktg n SER 97 N -0.27 0.00 0.27 0.00 2.88 0.76 0.11 113.62 117.38 3ktg n SER 97 Ca -0.09 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.64 3ktg n SER 97 Cb 0.55 0.00 0.91 0.00 -0.75 0.00 0.00 64.21 64.92 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 -0.13 -1.46 2.86 -1.88 -1.75 114.93 112.57 3ktg h MET 98 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3ktg h MET 98 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3ktg h MET 98 CO 0.00 0.00 -0.02 0.78 1.06 0.00 0.00 176.91 178.73 3ktg h GLY 99 N 0.73 0.26 1.41 8.32 0.00 0.59 -1.41 103.07 112.97 3ktg h GLY 99 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3ktg h GLY 99 CO 0.00 0.19 0.17 0.00 0.00 0.00 0.00 176.54 176.90 3ktg h ALA 100 N 0.71 1.34 -0.51 3.60 0.00 -1.16 -1.60 119.26 121.64 3ktg h ALA 100 Ca 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3ktg h ALA 100 Cb 0.43 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ktg h ALA 100 CO 0.01 0.48 0.19 0.35 0.00 0.00 0.00 179.25 180.28 3ktg h PHE 101 N 0.74 0.74 0.00 0.00 3.57 -1.12 -1.54 116.94 119.33 3ktg h PHE 101 Ca 0.17 -0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.48 3ktg h PHE 101 Cb 0.20 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3ktg h PHE 101 CO 0.01 0.59 -0.73 -0.07 -2.23 0.00 0.00 178.31 175.88 3ktg h LEU 102 N 0.73 0.00 -0.14 0.59 3.38 -0.46 -2.22 115.31 117.19 3ktg h LEU 102 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3ktg h LEU 102 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3ktg h LEU 102 CO -0.01 0.73 0.07 0.25 0.09 0.00 0.00 178.44 179.57 3ktg h LEU 103 N 0.00 0.18 -0.29 1.67 5.85 -0.40 -2.27 115.31 120.05 3ktg h LEU 103 Ca -0.01 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3ktg h LEU 103 Cb 1.30 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3ktg h LEU 103 CO 0.10 0.24 0.00 0.00 -0.34 0.00 0.00 178.44 178.44 3ktg n ALA 104 N -2.19 1.97 0.67 1.25 0.00 -0.71 -2.54 120.51 118.95 3ktg n ALA 104 Ca -0.05 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.53 3ktg n ALA 104 Cb 0.09 -1.41 0.47 0.00 0.00 0.00 0.00 19.45 18.59 3ktg n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ktg n ALA 105 N -1.72 2.11 -1.26 0.00 0.00 -0.84 -4.86 120.51 113.93 3ktg n ALA 105 Ca 0.04 -0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 3ktg n ALA 105 Cb 0.31 -1.43 0.10 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.37 2.23 -0.03 0.00 0.00 -1.05 -4.87 107.32 100.23 3ktg s GLY 106 Ca 0.10 0.81 -0.38 0.00 0.00 0.00 0.00 44.72 45.25 3ktg s GLY 106 CO 0.51 1.22 1.41 -2.21 0.00 0.00 0.00 173.10 174.03 3ktg n GLU 107 N -2.96 0.99 -1.66 2.90 4.07 0.29 -4.80 120.64 119.46 3ktg n GLU 107 Ca 0.13 0.36 -0.49 0.00 -0.06 0.00 0.00 57.16 57.10 3ktg n GLU 107 Cb 0.51 -1.99 -0.05 0.00 -0.06 0.00 0.00 31.44 29.85 3ktg n GLU 107 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3ktg n LYS 108 N 3.13 1.86 0.00 5.31 4.01 -1.26 -0.44 118.16 130.76 3ktg n LYS 108 Ca 0.21 0.68 0.00 0.00 -0.51 0.00 0.00 58.31 58.68 3ktg n LYS 108 Cb 0.16 -2.43 0.00 0.00 -0.51 0.00 0.00 35.03 32.24 3ktg n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3ktg n GLY 109 N 3.59 1.69 0.75 0.72 0.00 -1.26 -4.88 105.19 105.81 3ktg n GLY 109 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 1.75 -3.60 1.61 4.01 0.41 -4.87 118.16 115.48 3ktg n LYS 110 Ca 0.00 -3.36 -0.40 0.00 -0.51 0.00 0.00 58.31 54.04 3ktg n LYS 110 Cb 0.00 -1.68 -0.10 0.00 -0.51 0.00 0.00 35.03 32.74 3ktg n LYS 110 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3ktg s ARG 111 N -3.27 2.65 0.47 1.97 0.52 -1.24 -2.04 118.95 118.02 3ktg s ARG 111 Ca 0.40 -1.39 0.06 0.00 -0.52 0.00 0.00 55.73 54.28 3ktg s ARG 111 Cb 0.38 -3.78 -0.01 0.00 0.52 0.00 0.00 34.95 32.06 3ktg s ARG 111 CO -0.06 -0.91 0.30 0.71 0.02 0.00 0.00 175.30 175.37 3ktg s TYR 112 N 1.45 2.17 0.17 -0.53 1.51 0.24 -0.09 117.35 122.27 3ktg s TYR 112 Ca 0.03 -0.70 -0.23 0.00 -1.01 0.00 0.00 57.07 55.16 3ktg s TYR 112 Cb -0.22 -1.96 0.07 0.00 -0.11 0.00 0.00 41.96 39.73 3ktg s TYR 112 CO 0.03 -0.15 0.60 0.00 -1.11 0.00 0.00 175.55 174.92 3ktg s ALA 113 N -2.66 -1.56 0.19 3.71 0.00 -1.14 0.02 121.76 120.31 3ktg s ALA 113 Ca 0.37 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.80 3ktg s ALA 113 Cb -0.00 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 3ktg s ALA 113 CO 0.22 -0.78 0.27 -0.51 0.00 0.00 0.00 175.76 174.96 3ktg s LEU 114 N -2.76 4.20 0.16 0.00 1.43 -0.77 -0.65 118.68 120.30 3ktg s LEU 114 Ca 0.02 0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.09 3ktg s LEU 114 Cb -0.01 -2.76 0.22 0.00 0.03 0.00 0.00 46.19 43.66 3ktg s LEU 114 CO -0.12 0.01 1.01 -2.65 0.23 0.00 0.00 176.35 174.83 3ktg n PRO 115 N -0.83 -0.11 -0.84 1.29 -0.02 -1.25 -0.01 135.00 133.24 3ktg n PRO 115 Ca -0.08 1.00 0.07 0.00 -2.02 0.00 0.00 63.50 62.48 3ktg n PRO 115 Cb 0.55 -1.49 0.39 0.00 -0.02 0.00 0.00 33.50 32.93 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 -5.00 5.49 -4.74 2.55 4.13 -1.26 -4.55 115.26 111.89 3ktg n ASN 116 Ca 0.08 -2.94 -0.31 0.00 1.68 0.00 0.00 54.58 53.09 3ktg n ASN 116 Cb 0.29 -0.67 0.11 0.00 -1.54 0.00 0.00 39.78 37.97 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 -0.95 4.07 0.03 6.41 0.01 0.99 -4.78 113.70 119.48 3ktg s SER 117 Ca 0.53 1.99 0.02 0.00 1.31 0.00 0.00 55.95 59.80 3ktg s SER 117 Cb 0.41 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 3ktg s SER 117 CO 0.15 -2.33 -0.08 -1.61 0.41 0.00 0.00 173.24 169.79 3ktg s GLU 118 N -4.67 0.53 0.01 12.44 2.02 -0.29 -3.15 118.70 125.60 3ktg s GLU 118 Ca 0.64 -0.56 0.05 0.00 0.02 0.00 0.00 54.97 55.12 3ktg s GLU 118 Cb -0.20 -0.40 -0.02 0.00 0.10 0.00 0.00 34.13 33.61 3ktg s GLU 118 CO 0.54 0.09 -0.14 0.08 0.02 0.00 0.00 175.26 175.85 3ktg s VAL 119 N -0.88 1.13 -0.06 2.63 1.01 -0.79 -0.29 120.40 123.14 3ktg s VAL 119 Ca -0.05 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 3ktg s VAL 119 Cb -0.07 -0.98 0.04 0.00 0.00 0.00 0.00 36.38 35.37 3ktg s VAL 119 CO 0.00 0.16 0.09 -0.32 0.00 0.00 0.00 175.10 175.04 3ktg s MET 120 N -0.74 -0.03 0.16 2.72 1.75 -0.55 0.29 119.30 122.89 3ktg s MET 120 Ca 0.04 0.41 0.06 0.00 -1.25 0.00 0.00 55.69 54.94 3ktg s MET 120 Cb -0.07 -0.53 -0.04 0.00 2.84 0.00 0.00 34.83 37.04 3ktg s MET 120 CO 0.00 -0.35 0.07 0.96 -0.65 0.00 0.00 175.02 175.05 3ktg s ILE 121 N 2.21 4.14 0.06 10.11 -4.36 -0.75 -0.17 121.20 132.44 3ktg s ILE 121 Ca 0.04 -1.20 -0.27 0.00 -0.26 0.00 0.00 60.65 58.96 3ktg s ILE 121 Cb -0.12 -3.08 0.09 0.00 1.25 0.00 0.00 42.46 40.60 3ktg s ILE 121 CO -0.04 -0.08 1.15 -1.38 0.24 0.00 0.00 174.94 174.83 3ktg s HIS 122 N -1.69 -0.04 0.58 1.37 -3.43 -1.26 -1.15 115.29 109.66 3ktg s HIS 122 Ca 0.29 -0.17 -0.11 0.00 -0.80 0.00 0.00 55.06 54.28 3ktg s HIS 122 Cb -0.10 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.60 3ktg s HIS 122 CO 0.21 -0.54 0.97 1.14 -2.00 0.00 0.00 174.74 174.53 3ktg s GLN 123 N -2.60 3.63 0.74 -0.38 -2.07 -0.29 -4.97 119.66 113.73 3ktg s GLN 123 Ca 0.16 0.67 -0.15 0.00 -1.82 0.00 0.00 55.36 54.22 3ktg s GLN 123 Cb 0.01 -2.15 0.03 0.00 -1.09 0.00 0.00 33.01 29.82 3ktg s GLN 123 CO -0.00 -0.46 1.11 -2.30 -1.32 0.00 0.00 175.29 172.32 3ktg n PRO 124 N -2.49 0.50 -4.42 9.60 -0.02 -1.26 -5.04 135.00 131.86 3ktg n PRO 124 Ca 0.05 0.23 -0.29 0.00 -2.02 0.00 0.00 63.50 61.47 3ktg n PRO 124 Cb 0.54 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 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 -4.24 2.35 0.00 2.45 1.43 -1.26 -5.11 118.68 114.31 3ktg s LEU 125 Ca 0.75 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3ktg s LEU 125 Cb -0.33 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3ktg s LEU 125 CO 0.49 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.86 3ktg n GLY 126 N 0.97 2.03 3.31 -3.19 0.00 -1.26 -5.07 105.19 101.98 3ktg n GLY 126 Ca -0.18 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.96 -0.26 -0.10 -0.02 0.00 -1.26 -5.15 107.32 99.56 3ktg s GLY 127 Ca 0.00 0.50 -0.06 0.00 0.00 0.00 0.00 44.72 45.16 3ktg s GLY 127 CO 0.00 0.25 0.25 0.00 0.00 0.00 0.00 173.10 173.60 3ktg s ALA 128 N -1.62 -0.57 -0.09 3.20 0.00 -1.26 -4.99 121.76 116.43 3ktg s ALA 128 Ca -0.11 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 3ktg s ALA 128 Cb -0.03 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.54 3ktg s ALA 128 CO 0.04 -0.18 0.23 -1.14 0.00 0.00 0.00 175.76 174.70 3ktg s GLN 129 N 0.97 0.24 0.00 0.00 0.74 -1.26 -4.97 119.66 115.38 3ktg s GLN 129 Ca -0.07 0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.70 3ktg s GLN 129 Cb -0.08 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.09 3ktg s GLN 129 CO -0.06 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.02 3ktg n GLY 130 N 3.30 0.39 3.77 2.59 0.00 -1.26 -4.78 105.19 109.20 3ktg n GLY 130 Ca -0.16 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.01 3.41 0.33 1.61 -0.21 -1.26 -4.78 119.66 117.75 3ktg s GLN 131 Ca 0.00 1.61 0.13 0.00 0.02 0.00 0.00 55.36 57.12 3ktg s GLN 131 Cb 0.00 -2.04 1.01 0.00 1.00 0.00 0.00 33.01 32.98 3ktg s GLN 131 CO 0.00 -0.80 1.69 0.00 -2.12 0.00 0.00 175.29 174.05 3ktg h ALA 132 N 1.28 1.90 -0.24 6.09 0.00 -1.99 0.62 119.26 126.93 3ktg h ALA 132 Ca -0.50 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3ktg h ALA 132 Cb 1.26 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3ktg h ALA 132 CO 0.57 -0.46 -0.04 1.15 0.00 0.00 0.00 179.25 180.48 3ktg h THR 133 N 0.43 1.17 0.19 0.00 2.02 -1.99 -0.47 112.91 114.26 3ktg h THR 133 Ca 0.70 -0.69 -0.31 0.00 0.77 0.00 0.00 66.41 66.88 3ktg h THR 133 Cb 1.50 1.04 0.03 0.00 -1.74 0.00 0.00 68.15 68.98 3ktg h THR 133 CO -0.55 0.23 -1.36 -0.33 0.37 0.00 0.00 175.52 173.88 3ktg h GLU 134 N 0.35 0.48 -0.36 6.66 5.08 -0.17 -2.86 114.58 123.75 3ktg h GLU 134 Ca 0.08 -0.77 -0.08 0.00 -1.00 0.00 0.00 59.36 57.59 3ktg h GLU 134 Cb 0.30 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3ktg h GLU 134 CO 0.01 1.36 -0.11 0.82 -1.00 0.00 0.00 179.01 180.09 3ktg h ILE 135 N 0.15 1.24 -0.48 3.13 2.04 -0.87 -2.14 117.51 120.59 3ktg h ILE 135 Ca -0.21 -1.09 -0.10 0.00 1.00 0.00 0.00 64.86 64.47 3ktg h ILE 135 Cb 2.06 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 39.22 3ktg h ILE 135 CO 0.25 0.36 -0.08 -0.08 0.00 0.00 0.00 178.15 178.60 3ktg h GLU 136 N 0.58 0.90 -1.00 2.37 4.81 -1.13 -0.25 114.58 120.85 3ktg h GLU 136 Ca 0.10 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 3ktg h GLU 136 Cb 0.54 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 3ktg h GLU 136 CO 0.03 0.97 0.66 0.82 -0.73 0.00 0.00 179.01 180.77 3ktg h ILE 137 N 0.75 1.22 -0.15 2.32 2.04 -1.22 -0.07 117.51 122.39 3ktg h ILE 137 Ca 0.13 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 3ktg h ILE 137 Cb 0.62 -0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3ktg h ILE 137 CO 0.04 0.24 -0.25 0.00 0.00 0.00 0.00 178.15 178.18 3ktg h ALA 138 N 1.40 0.23 0.12 1.87 0.00 -1.11 -2.31 119.26 119.47 3ktg h ALA 138 Ca 0.38 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ktg h ALA 138 Cb -0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ktg h ALA 138 CO -0.10 0.21 -0.18 0.00 0.00 0.00 0.00 179.25 179.18 3ktg h ALA 139 N 0.57 -0.33 -0.78 0.00 0.00 -0.71 -1.14 119.26 116.87 3ktg h ALA 139 Ca 0.01 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.00 3ktg h ALA 139 Cb 0.84 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 3ktg h ALA 139 CO 0.06 -0.72 0.39 0.87 0.00 0.00 0.00 179.25 179.86 3ktg h LYS 140 N -0.37 0.61 -0.41 0.00 1.57 -1.03 -1.11 116.57 115.83 3ktg h LYS 140 Ca 0.02 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 3ktg h LYS 140 Cb 0.38 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3ktg h LYS 140 CO -0.09 0.40 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.01 3ktg h ARG 141 N 0.62 0.80 -0.06 3.15 2.43 -0.99 -2.47 114.38 117.86 3ktg h ARG 141 Ca 0.40 -0.30 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 3ktg h ARG 141 Cb 0.49 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3ktg h ARG 141 CO -0.31 0.92 -0.52 0.97 -1.51 0.00 0.00 179.97 179.51 3ktg h ILE 142 N 0.62 1.36 -0.06 1.20 2.10 -0.72 -1.53 117.51 120.48 3ktg h ILE 142 Ca 0.11 -1.80 -0.11 0.00 1.08 0.00 0.00 64.86 64.13 3ktg h ILE 142 Cb 0.62 1.90 -0.01 0.00 -1.09 0.00 0.00 36.82 38.24 3ktg h ILE 142 CO 0.04 0.53 -0.47 -0.07 -1.08 0.00 0.00 178.15 177.10 3ktg h LEU 143 N 0.13 0.15 -0.14 2.19 3.38 -1.16 -1.98 115.31 117.88 3ktg h LEU 143 Ca 0.00 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 3ktg h LEU 143 Cb 0.97 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3ktg h LEU 143 CO 0.08 0.60 -0.43 0.25 0.09 0.00 0.00 178.44 179.03 3ktg h LEU 144 N 0.12 0.62 -1.09 1.67 6.46 -1.10 -2.77 115.31 119.21 3ktg h LEU 144 Ca 0.01 -0.59 0.02 0.00 -0.12 0.00 0.00 57.88 57.19 3ktg h LEU 144 Cb 0.88 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.58 3ktg h LEU 144 CO 0.07 1.11 0.62 -0.07 -0.62 0.00 0.00 178.44 179.54 3ktg h LEU 145 N 0.17 1.05 -0.96 2.25 3.38 -1.15 -1.10 115.31 118.96 3ktg h LEU 145 Ca -0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3ktg h LEU 145 Cb 1.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3ktg h LEU 145 CO 0.09 0.75 0.23 -0.09 0.09 0.00 0.00 178.44 179.52 3ktg h ARG 146 N 1.24 0.99 -0.35 1.13 2.43 -1.32 0.60 114.38 119.10 3ktg h ARG 146 Ca 0.35 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 3ktg h ARG 146 Cb -0.10 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 3ktg h ARG 146 CO -0.09 0.83 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.54 3ktg h ASP 147 N 0.97 0.80 0.11 -3.80 3.45 -1.04 0.12 116.42 117.02 3ktg h ASP 147 Ca 0.22 -0.43 -0.01 0.00 0.43 0.00 0.00 57.03 57.25 3ktg h ASP 147 Cb 0.23 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 3ktg h ASP 147 CO -0.01 1.06 -0.05 0.50 -1.57 0.00 0.00 179.24 179.16 3ktg h LYS 148 N 0.55 -0.14 -0.19 3.56 3.64 -0.96 0.26 116.57 123.30 3ktg h LYS 148 Ca 0.07 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3ktg h LYS 148 Cb 0.78 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3ktg h LYS 148 CO 0.06 0.04 0.10 -0.07 -2.27 0.00 0.00 179.45 177.31 3ktg h LEU 149 N -0.29 0.16 -0.42 5.20 3.38 -0.87 -1.76 115.31 120.71 3ktg h LEU 149 Ca -0.01 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3ktg h LEU 149 Cb 0.24 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3ktg h LEU 149 CO 0.02 0.12 0.14 0.78 0.09 0.00 0.00 178.44 179.59 3ktg h ASN 150 N 0.21 0.14 -0.73 -0.43 2.35 -0.87 0.14 115.58 116.38 3ktg h ASN 150 Ca 0.07 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 3ktg h ASN 150 Cb 0.01 0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 3ktg h ASN 150 CO -0.04 0.11 0.47 0.11 -1.65 0.00 0.00 177.43 176.43 3ktg h LYS 151 N 0.30 0.90 -0.38 0.81 1.57 -0.61 -0.41 116.57 118.75 3ktg h LYS 151 Ca 0.19 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 3ktg h LYS 151 Cb 0.19 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3ktg h LYS 151 CO -0.20 0.59 -0.26 0.28 -0.57 0.00 0.00 179.45 179.29 3ktg h VAL 152 N 0.92 1.27 -0.51 0.50 2.07 -0.87 -2.61 116.25 117.03 3ktg h VAL 152 Ca 0.29 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.33 3ktg h VAL 152 Cb -0.01 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3ktg h VAL 152 CO -0.10 0.46 -0.02 0.25 0.02 0.00 0.00 177.57 178.18 3ktg h LEU 153 N 0.67 0.90 -1.17 2.57 6.46 -0.50 -1.04 115.31 123.20 3ktg h LEU 153 Ca 0.09 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 3ktg h LEU 153 Cb 0.78 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.43 3ktg h LEU 153 CO 0.06 1.00 0.50 0.00 -0.62 0.00 0.00 178.44 179.38 3ktg h ALA 154 N 0.93 1.39 -0.37 1.25 0.00 -0.99 -0.09 119.26 121.37 3ktg h ALA 154 Ca 0.14 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3ktg h ALA 154 Cb 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ktg h ALA 154 CO 0.03 0.54 -0.31 0.93 0.00 0.00 0.00 179.25 180.45 3ktg h GLU 155 N 1.08 0.86 -0.28 0.00 5.08 -1.07 0.17 114.58 120.42 3ktg h GLU 155 Ca 0.29 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 3ktg h GLU 155 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3ktg h GLU 155 CO -0.06 1.08 -0.15 0.00 -1.00 0.00 0.00 179.01 178.88 3ktg h ARG 156 N 0.67 0.59 0.00 2.33 2.47 -0.69 -3.28 114.38 116.47 3ktg h ARG 156 Ca 0.07 -0.26 -0.11 0.00 -1.26 0.00 0.00 59.98 58.41 3ktg h ARG 156 Cb 0.89 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.18 3ktg h ARG 156 CO 0.08 0.84 -0.78 1.79 0.56 0.00 0.00 179.97 182.46 3ktg h THR 157 N 0.33 0.64 0.00 2.04 1.35 -1.06 -3.47 112.91 112.74 3ktg h THR 157 Ca 0.06 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.93 3ktg h THR 157 Cb 0.67 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 3ktg h THR 157 CO 0.04 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 3ktg n GLY 158 N 1.26 0.72 3.83 5.82 0.00 0.56 -4.52 105.19 112.87 3ktg n GLY 158 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3ktg n GLY 158 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ktg s GLN 159 N -0.28 4.16 0.30 1.61 2.00 -1.08 -5.01 119.66 121.36 3ktg s GLN 159 Ca 0.00 0.75 -0.29 0.00 -2.00 0.00 0.00 55.36 53.82 3ktg s GLN 159 Cb 0.00 -2.85 -0.10 0.00 0.80 0.00 0.00 33.01 30.86 3ktg s GLN 159 CO 0.00 0.39 1.35 -1.25 -0.50 0.00 0.00 175.29 175.29 3ktg s PRO 160 N -2.06 4.32 0.29 1.67 0.04 -1.26 -4.47 135.00 133.53 3ktg s PRO 160 Ca 0.43 2.24 0.01 0.00 0.04 0.00 0.00 61.00 63.72 3ktg s PRO 160 Cb -0.16 -3.09 0.71 0.00 0.04 0.00 0.00 34.50 32.00 3ktg s PRO 160 CO 0.20 -0.28 1.60 1.25 0.04 0.00 0.00 177.00 179.81 3ktg h LEU 161 N 4.03 -0.33 -1.76 -3.56 5.85 -1.91 0.53 115.31 118.17 3ktg h LEU 161 Ca -0.48 0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.57 3ktg h LEU 161 Cb 1.22 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 42.64 3ktg h LEU 161 CO 0.70 -0.28 0.31 -0.08 -0.34 0.00 0.00 178.44 178.75 3ktg h GLU 162 N 0.07 0.28 0.07 1.25 4.81 -1.98 -0.07 114.58 119.01 3ktg h GLU 162 Ca 0.56 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.59 3ktg h GLU 162 Cb 1.15 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 30.49 3ktg h GLU 162 CO -0.81 0.19 -0.78 0.28 -0.73 0.00 0.00 179.01 177.15 3ktg h VAL 163 N 0.29 1.44 0.07 0.32 2.07 -0.31 -2.58 116.25 117.54 3ktg h VAL 163 Ca 0.21 -2.31 0.02 0.00 0.82 0.00 0.00 66.70 65.44 3ktg h VAL 163 Cb 0.45 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.03 3ktg h VAL 163 CO -0.04 0.67 -0.20 0.40 0.02 0.00 0.00 177.57 178.41 3ktg h ILE 164 N -0.14 0.53 -0.42 4.57 5.03 -0.84 0.20 117.51 126.43 3ktg h ILE 164 Ca -0.12 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.70 3ktg h ILE 164 Cb 1.53 0.53 -0.09 0.00 -3.03 0.00 0.00 36.82 35.76 3ktg h ILE 164 CO 0.15 0.00 -0.37 -0.33 -0.68 0.00 0.00 178.15 176.92 3ktg h GLU 165 N -0.36 -0.26 -0.68 2.37 5.08 -1.09 -0.22 114.58 119.40 3ktg h GLU 165 Ca 0.04 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3ktg h GLU 165 Cb 0.41 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3ktg h GLU 165 CO -0.14 -0.18 0.19 -0.09 -1.00 0.00 0.00 179.01 177.79 3ktg h ARG 166 N -0.27 1.06 0.00 2.33 2.43 -1.16 -2.95 114.38 115.82 3ktg h ARG 166 Ca 0.17 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3ktg h ARG 166 Cb 0.56 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3ktg h ARG 166 CO -0.57 0.92 0.00 -0.44 -1.51 0.00 0.00 179.97 178.37 3ktg h ASP 167 N 1.02 0.00 -0.30 -3.80 3.32 0.34 -3.15 116.42 113.84 3ktg h ASP 167 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3ktg h ASP 167 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3ktg h ASP 167 CO -0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 3ktg n THR 168 N -2.51 0.40 -0.15 0.35 -2.24 -0.19 -4.50 114.28 105.44 3ktg n THR 168 Ca 0.03 -0.70 -0.03 0.00 -2.27 0.00 0.00 64.05 61.08 3ktg n THR 168 Cb 0.36 1.09 0.05 0.00 -2.10 0.00 0.00 70.33 69.73 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 4.36 -0.05 -3.35 3.42 -0.00 -1.50 -0.76 116.42 118.54 3ktg h ASP 169 Ca 0.00 0.09 -0.43 0.00 -0.00 0.00 0.00 57.03 56.69 3ktg h ASP 169 Cb 0.96 0.14 -0.14 0.00 -0.00 0.00 0.00 39.33 40.29 3ktg h ASP 169 CO 0.00 0.00 -0.72 -0.13 -0.00 0.00 0.00 179.24 178.40 3ktg s ARG 170 N -6.15 1.31 -0.42 0.28 0.52 -1.26 -4.66 118.95 108.57 3ktg s ARG 170 Ca -0.13 -1.60 -0.43 0.00 -0.52 0.00 0.00 55.73 53.05 3ktg s ARG 170 Cb 0.15 -1.00 -0.18 0.00 0.52 0.00 0.00 34.95 34.44 3ktg s ARG 170 CO 0.72 0.12 1.81 -0.25 0.02 0.00 0.00 175.30 177.73 3ktg n ASP 171 N -0.38 1.58 -4.08 0.23 8.00 -1.26 -4.77 116.55 115.87 3ktg n ASP 171 Ca -0.08 0.98 -0.35 0.00 0.71 0.00 0.00 54.79 56.05 3ktg n ASP 171 Cb 0.61 -1.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.59 3ktg n ASP 171 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3ktg s ASN 172 N 4.21 5.06 0.03 -2.24 3.04 -0.30 -5.02 114.94 119.73 3ktg s ASN 172 Ca 1.06 -2.48 -0.26 0.00 0.04 0.00 0.00 52.86 51.23 3ktg s ASN 172 Cb -1.30 -1.79 -0.05 0.00 -1.54 0.00 0.00 41.25 36.57 3ktg s ASN 172 CO 0.71 -0.42 0.81 -0.36 -3.04 0.00 0.00 177.10 174.80 3ktg s PHE 173 N 0.48 3.72 0.05 0.43 0.08 -1.26 -1.80 117.98 119.67 3ktg s PHE 173 Ca 0.13 1.52 0.05 0.00 0.12 0.00 0.00 56.93 58.75 3ktg s PHE 173 Cb -0.22 -2.89 -0.02 0.00 -0.57 0.00 0.00 43.02 39.32 3ktg s PHE 173 CO -0.04 0.20 -0.15 0.15 -0.10 0.00 0.00 175.22 175.29 3ktg s LYS 174 N 0.20 0.95 0.89 0.44 1.02 0.15 -5.00 119.74 118.38 3ktg s LYS 174 Ca 0.41 -0.83 -0.13 0.00 0.02 0.00 0.00 55.97 55.44 3ktg s LYS 174 Cb -0.21 -0.97 0.13 0.00 -0.52 0.00 0.00 37.83 36.26 3ktg s LYS 174 CO 0.24 0.24 1.19 -1.54 -0.92 0.00 0.00 175.35 174.55 3ktg s SER 175 N -1.32 3.77 0.39 2.83 1.04 -1.26 -1.88 113.70 117.27 3ktg s SER 175 Ca 0.01 0.74 0.10 0.00 0.48 0.00 0.00 55.95 57.28 3ktg s SER 175 Cb -0.08 -1.16 0.80 0.00 0.10 0.00 0.00 66.02 65.68 3ktg s SER 175 CO 0.02 -2.37 1.93 0.00 0.98 0.00 0.00 173.24 173.80 3ktg h ALA 176 N -1.38 1.54 -0.02 5.32 0.00 -1.78 -0.89 119.26 122.05 3ktg h ALA 176 Ca -0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3ktg h ALA 176 Cb 1.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ktg h ALA 176 CO 0.58 0.33 -0.01 0.93 0.00 0.00 0.00 179.25 181.09 3ktg h GLU 177 N 0.24 0.04 -0.71 0.00 3.07 -1.91 -2.61 114.58 112.71 3ktg h GLU 177 Ca 0.05 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.93 3ktg h GLU 177 Cb 0.33 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.19 3ktg h GLU 177 CO 0.02 0.45 0.44 0.93 -1.40 0.00 0.00 179.01 179.45 3ktg h GLU 178 N -0.37 0.83 -0.44 2.33 5.08 -1.85 0.28 114.58 120.45 3ktg h GLU 178 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3ktg h GLU 178 Cb 0.44 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3ktg h GLU 178 CO 0.00 0.55 0.28 0.00 -1.00 0.00 0.00 179.01 178.84 3ktg h ALA 179 N 1.32 1.68 0.17 3.43 0.00 -1.16 0.45 119.26 125.15 3ktg h ALA 179 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3ktg h ALA 179 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ktg h ALA 179 CO -0.12 0.30 -0.08 1.25 0.00 0.00 0.00 179.25 180.59 3ktg h LEU 180 N 0.59 -0.19 -1.21 0.00 5.85 -0.79 0.19 115.31 119.74 3ktg h LEU 180 Ca 0.16 -0.27 0.12 0.00 0.84 0.00 0.00 57.88 58.73 3ktg h LEU 180 Cb -0.06 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 3ktg h LEU 180 CO -0.03 0.19 0.58 -0.08 -0.34 0.00 0.00 178.44 178.76 3ktg h GLU 181 N -0.61 0.78 0.00 1.25 4.57 -0.19 -0.67 114.58 119.71 3ktg h GLU 181 Ca -0.02 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.03 3ktg h GLU 181 Cb 0.45 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 3ktg h GLU 181 CO 0.04 0.52 -0.38 -0.92 -1.18 0.00 0.00 179.01 177.08 3ktg h TYR 182 N 0.80 0.00 0.00 0.92 3.20 -0.08 -3.47 116.97 118.34 3ktg h TYR 182 Ca 0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.31 3ktg h TYR 182 Cb 0.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3ktg h TYR 182 CO -0.00 0.38 0.00 0.41 -1.64 0.00 0.00 178.16 177.31 3ktg n GLY 183 N 0.83 0.99 0.14 1.82 0.00 -0.26 -4.68 105.19 104.03 3ktg n GLY 183 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -8.55 0.99 3.38 -0.87 -3.36 115.31 106.89 3ktg h LEU 184 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3ktg h LEU 184 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 3ktg h LEU 184 CO 0.00 0.61 -0.68 0.27 0.09 0.00 0.00 178.44 178.73 3ktg s ILE 185 N -3.26 0.69 -0.20 1.22 -4.36 -1.17 -3.87 121.20 110.26 3ktg s ILE 185 Ca 0.01 -1.96 0.05 0.00 -0.26 0.00 0.00 60.65 58.49 3ktg s ILE 185 Cb 0.10 -1.91 -0.21 0.00 1.25 0.00 0.00 42.46 41.69 3ktg s ILE 185 CO 0.75 -0.67 0.05 0.47 0.24 0.00 0.00 174.94 175.78 3ktg n ASP 186 N -0.15 1.43 -3.82 4.36 8.00 0.87 -4.49 116.55 122.75 3ktg n ASP 186 Ca -0.09 0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 3ktg n ASP 186 Cb 0.62 -0.13 -0.10 0.00 -0.02 0.00 0.00 41.12 41.50 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 -2.53 0.54 -0.32 -1.24 2.20 -1.07 -5.03 119.74 112.29 3ktg s LYS 187 Ca -0.24 -0.23 -0.12 0.00 -0.36 0.00 0.00 55.97 55.03 3ktg s LYS 187 Cb 0.08 0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 36.61 3ktg s LYS 187 CO 0.71 -0.13 0.21 0.42 -0.36 0.00 0.00 175.35 176.20 3ktg s ILE 188 N -1.19 5.13 0.03 5.43 1.01 -1.26 -2.90 121.20 127.45 3ktg s ILE 188 Ca -0.13 -0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 3ktg s ILE 188 Cb -0.06 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3ktg s ILE 188 CO 0.03 0.05 0.93 -0.76 0.00 0.00 0.00 174.94 175.19 3ktg s LEU 189 N 1.70 4.41 0.07 2.97 1.43 0.18 -4.93 118.68 124.51 3ktg s LEU 189 Ca 0.06 1.64 -0.01 0.00 -1.03 0.00 0.00 54.13 54.79 3ktg s LEU 189 Cb -0.17 -3.50 -0.00 0.00 0.03 0.00 0.00 46.19 42.54 3ktg s LEU 189 CO 0.10 -0.16 -0.02 0.41 0.23 0.00 0.00 176.35 176.90 3ktg n THR 190 N 3.46 1.09 -3.13 5.49 -1.04 -1.26 -3.79 114.28 115.10 3ktg n THR 190 Ca 0.03 0.33 -0.24 0.00 -2.04 0.00 0.00 64.05 62.14 3ktg n THR 190 Cb 0.50 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 3ktg n THR 190 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3ktg s HIS 191 N -2.06 3.36 -2.00 -1.42 3.76 -1.26 -4.96 115.29 110.72 3ktg s HIS 191 Ca -0.02 0.32 0.03 0.00 -0.15 0.00 0.00 55.06 55.24 3ktg s HIS 191 Cb 0.00 -2.13 0.17 0.00 1.11 0.00 0.00 32.58 31.73 3ktg s HIS 191 CO 0.03 -0.15 0.73 1.47 -0.85 0.00 0.00 174.74 175.97 3ktg n LEU 192 N -1.96 0.00 0.00 0.89 -0.00 -1.26 -2.00 117.00 112.67 3ktg n LEU 192 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 3ktg n LEU 192 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 3ktg n LEU 192 CO 0.48 0.00 -0.09 -1.84 -0.00 0.00 0.00 177.39 175.95 3ktg n GLU 193 N -0.57 4.78 0.28 1.47 -0.00 -1.26 -4.66 120.64 120.67 3ktg n GLU 193 Ca 0.02 0.00 0.14 0.00 -0.00 0.00 0.00 57.16 57.33 3ktg n GLU 193 Cb 0.01 -0.52 0.80 0.00 -0.00 0.00 0.00 31.44 31.73 3ktg n GLU 193 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3ktg h HIS 194 N 0.00 0.00 -3.80 -1.84 3.86 -1.69 -3.42 115.15 108.26 3ktg h HIS 194 Ca 0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 3ktg h HIS 194 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3ktg h HIS 194 CO 0.00 0.08 0.41 -1.58 0.86 0.00 0.00 177.93 177.70 3ktg s HIS 195 N -4.19 3.73 -0.18 2.45 2.46 -1.26 -4.93 115.29 113.37 3ktg s HIS 195 Ca -0.03 1.79 0.28 0.00 0.47 0.00 0.00 55.06 57.57 3ktg s HIS 195 Cb 0.13 -3.12 1.23 0.00 -0.13 0.00 0.00 32.58 30.69 3ktg s HIS 195 CO 0.56 -0.09 1.84 1.12 -2.47 0.00 0.00 174.74 175.70 3ktg h HIS 196 N 3.81 0.00 -0.17 3.88 2.07 -1.98 -2.95 115.15 119.82 3ktg h HIS 196 Ca -0.46 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.11 3ktg h HIS 196 Cb 1.21 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.18 3ktg h HIS 196 CO 0.60 0.00 0.17 1.25 -3.07 0.00 0.00 177.93 176.88 3ktg h HIS 197 N 0.00 0.00 0.00 6.12 6.17 -1.91 -3.54 115.15 121.99 3ktg h HIS 197 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3ktg h HIS 197 Cb 0.35 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.28 3ktg h HIS 197 CO 0.00 0.00 0.00 0.72 0.71 0.00 0.00 177.93 179.36