#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 1.19 0.19 6.28 0.04 -1.26 -4.87 135.00 136.57 3ktg s PRO 4 Ca 0.00 -0.06 0.08 0.00 0.04 0.00 0.00 61.00 61.06 3ktg s PRO 4 Cb 0.00 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 3ktg s PRO 4 CO 0.00 -2.10 -0.01 0.95 0.04 0.00 0.00 177.00 175.89 3ktg s THR 5 N -3.61 3.65 0.04 1.26 -4.23 -1.26 -2.13 115.64 109.36 3ktg s THR 5 Ca 0.67 -1.50 0.06 0.00 -1.18 0.00 0.00 61.69 59.74 3ktg s THR 5 Cb -0.09 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 3ktg s THR 5 CO 0.51 -0.15 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.59 3ktg s VAL 6 N -1.81 1.34 -0.01 2.29 1.01 -1.13 -4.89 120.40 117.20 3ktg s VAL 6 Ca 0.28 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.19 3ktg s VAL 6 Cb -0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 3ktg s VAL 6 CO 0.19 0.07 -0.11 0.27 0.00 0.00 0.00 175.10 175.52 3ktg s ILE 7 N -0.85 0.84 0.46 2.22 -4.36 -1.26 -0.47 121.20 117.78 3ktg s ILE 7 Ca 0.04 -0.45 -0.20 0.00 -0.26 0.00 0.00 60.65 59.78 3ktg s ILE 7 Cb -0.08 -0.71 -0.10 0.00 1.25 0.00 0.00 42.46 42.82 3ktg s ILE 7 CO 0.02 0.24 0.97 0.00 0.24 0.00 0.00 174.94 176.41 3ktg s ALA 16 N -0.21 3.02 0.03 2.27 0.00 -1.26 -5.23 121.76 120.39 3ktg s ALA 16 Ca 0.03 0.39 -0.27 0.00 0.00 0.00 0.00 51.96 52.11 3ktg s ALA 16 Cb -0.05 -3.16 0.09 0.00 0.00 0.00 0.00 23.12 20.01 3ktg s ALA 16 CO -0.00 -0.01 1.22 0.71 0.00 0.00 0.00 175.76 177.68 3ktg s TYR 17 N -2.24 0.04 0.01 0.00 2.02 0.38 -5.06 117.35 112.50 3ktg s TYR 17 Ca 0.62 -0.23 0.06 0.00 -0.37 0.00 0.00 57.07 57.15 3ktg s TYR 17 Cb -0.10 0.60 -0.02 0.00 -0.40 0.00 0.00 41.96 42.04 3ktg s TYR 17 CO 0.18 -0.44 -0.18 0.34 -1.57 0.00 0.00 175.55 173.88 3ktg s ASP 18 N -3.71 2.12 0.31 2.29 3.68 -1.26 -2.86 116.67 117.23 3ktg s ASP 18 Ca 0.28 -0.38 0.07 0.00 2.13 0.00 0.00 52.55 54.64 3ktg s ASP 18 Cb -0.01 -0.21 0.80 0.00 -1.45 0.00 0.00 42.92 42.05 3ktg s ASP 18 CO 0.01 0.18 1.74 -0.29 0.13 0.00 0.00 175.17 176.94 3ktg h ILE 19 N 4.60 0.58 -0.20 4.11 6.09 -1.76 1.07 117.51 132.00 3ktg h ILE 19 Ca -0.38 -0.21 -0.18 0.00 -1.37 0.00 0.00 64.86 62.72 3ktg h ILE 19 Cb 1.16 -0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.37 3ktg h ILE 19 CO 0.47 0.11 -0.57 1.88 -3.07 0.00 0.00 178.15 176.97 3ktg h TYR 20 N 0.61 0.96 -0.72 2.19 0.05 -1.96 -1.80 116.97 116.30 3ktg h TYR 20 Ca 0.60 -0.38 -0.01 0.00 0.05 0.00 0.00 58.73 59.00 3ktg h TYR 20 Cb 1.08 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.62 3ktg h TYR 20 CO -0.03 1.19 0.42 0.77 -1.05 0.00 0.00 178.16 179.45 3ktg h SER 21 N 0.46 0.87 -0.46 3.88 0.02 -1.09 0.18 113.55 117.41 3ktg h SER 21 Ca -0.01 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 3ktg h SER 21 Cb 1.19 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 3ktg h SER 21 CO 0.12 0.68 0.08 -0.09 -1.14 0.00 0.00 176.83 176.49 3ktg h ARG 22 N 0.99 0.75 -0.37 3.45 9.65 0.12 -2.72 114.38 126.25 3ktg h ARG 22 Ca 0.26 -0.20 -0.12 0.00 -1.10 0.00 0.00 59.98 58.82 3ktg h ARG 22 Cb -0.01 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 3ktg h ARG 22 CO -0.05 0.76 -0.26 -0.07 2.80 0.00 0.00 179.97 183.16 3ktg h LEU 23 N 0.62 0.79 -1.56 3.80 4.07 -0.58 -2.67 115.31 119.78 3ktg h LEU 23 Ca 0.14 -0.30 0.12 0.00 0.08 0.00 0.00 57.88 57.92 3ktg h LEU 23 Cb 0.37 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.85 3ktg h LEU 23 CO 0.01 1.01 0.46 0.25 -1.08 0.00 0.00 178.44 179.09 3ktg h LEU 24 N 0.66 0.43 -2.24 1.67 6.46 -0.42 0.51 115.31 122.38 3ktg h LEU 24 Ca 0.08 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 3ktg h LEU 24 Cb 0.78 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.63 3ktg h LEU 24 CO 0.06 0.25 -0.05 0.50 -0.62 0.00 0.00 178.44 178.58 3ktg h LYS 25 N 0.48 0.00 -0.64 1.25 3.64 -1.18 0.21 116.57 120.33 3ktg h LYS 25 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3ktg h LYS 25 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3ktg h LYS 25 CO -0.11 0.05 0.00 -0.25 -2.27 0.00 0.00 179.45 176.87 3ktg n ASP 26 N -3.80 4.53 -3.16 4.20 10.43 0.18 -4.92 116.55 124.01 3ktg n ASP 26 Ca -0.03 -2.54 -0.20 0.00 2.57 0.00 0.00 54.79 54.59 3ktg n ASP 26 Cb 0.14 -0.59 0.07 0.00 1.84 0.00 0.00 41.12 42.58 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 0.79 -6.79 -4.30 -1.24 1.74 0.06 -4.92 116.66 102.01 3ktg n ARG 27 Ca 0.23 0.71 -0.32 0.00 -0.77 0.00 0.00 57.85 57.70 3ktg n ARG 27 Cb 0.90 -5.41 -0.16 0.00 -1.02 0.00 0.00 32.46 26.76 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 -3.28 1.99 -0.11 0.55 -1.09 -1.05 -1.77 121.20 116.44 3ktg s ILE 28 Ca 0.47 -0.91 -0.00 0.00 -2.23 0.00 0.00 60.65 57.98 3ktg s ILE 28 Cb -0.21 -1.79 -0.02 0.00 -1.58 0.00 0.00 42.46 38.86 3ktg s ILE 28 CO 0.63 0.53 -0.09 -0.63 -1.23 0.00 0.00 174.94 174.14 3ktg s ILE 29 N 1.15 3.42 -0.28 2.92 1.01 0.28 -3.32 121.20 126.38 3ktg s ILE 29 Ca 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 3ktg s ILE 29 Cb -0.14 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 39.92 3ktg s ILE 29 CO -0.09 0.55 0.03 -0.04 0.00 0.00 0.00 174.94 175.39 3ktg s MET 30 N -0.14 3.00 -0.43 2.79 -1.94 -1.26 -1.09 119.30 120.23 3ktg s MET 30 Ca 0.01 -0.90 -0.11 0.00 -1.71 0.00 0.00 55.69 52.98 3ktg s MET 30 Cb -0.13 -3.23 0.07 0.00 2.01 0.00 0.00 34.83 33.54 3ktg s MET 30 CO 0.03 -0.43 0.30 -1.17 -0.01 0.00 0.00 175.02 173.74 3ktg s LEU 31 N 1.44 5.26 -0.37 -0.03 2.96 -0.40 -4.95 118.68 122.59 3ktg s LEU 31 Ca 0.02 -1.40 0.13 0.00 -0.22 0.00 0.00 54.13 52.66 3ktg s LEU 31 Cb -0.17 -2.05 0.44 0.00 0.50 0.00 0.00 46.19 44.90 3ktg s LEU 31 CO 0.00 -0.56 0.99 0.61 -1.32 0.00 0.00 176.35 176.07 3ktg n GLY 32 N 5.02 3.21 3.27 7.98 0.00 -1.24 -1.08 105.19 122.35 3ktg n GLY 32 Ca -0.11 -1.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.03 3ktg n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ktg n SER 33 N -0.18 -1.69 -4.77 1.61 3.41 -1.12 -4.91 113.62 105.96 3ktg n SER 33 Ca 0.20 -2.02 -0.35 0.00 -0.26 0.00 0.00 58.87 56.44 3ktg n SER 33 Cb 0.74 2.78 -0.00 0.00 -0.26 0.00 0.00 64.21 67.47 3ktg n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ktg s ALA 34 N -1.90 2.74 -0.40 7.33 0.00 -1.26 -4.24 121.76 124.03 3ktg s ALA 34 Ca 0.17 0.84 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 3ktg s ALA 34 Cb -0.03 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.74 3ktg s ALA 34 CO 0.07 -0.74 0.50 0.42 0.00 0.00 0.00 175.76 176.01 3ktg s ILE 35 N -1.74 5.01 0.41 0.00 1.01 0.12 -4.87 121.20 121.14 3ktg s ILE 35 Ca 0.71 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 61.38 3ktg s ILE 35 Cb -0.24 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 3ktg s ILE 35 CO 0.28 -0.38 0.08 1.51 0.00 0.00 0.00 174.94 176.43 3ktg s ASP 36 N 1.84 3.02 0.18 3.58 3.84 -1.26 -1.00 116.67 126.86 3ktg s ASP 36 Ca 0.16 -1.60 -0.18 0.00 -0.00 0.00 0.00 52.55 50.93 3ktg s ASP 36 Cb -0.16 0.36 0.12 0.00 -1.38 0.00 0.00 42.92 41.85 3ktg s ASP 36 CO 0.15 -0.83 1.64 0.44 -0.00 0.00 0.00 175.17 176.56 3ktg h ASP 37 N 1.76 -0.63 -0.38 2.11 5.19 -1.96 0.10 116.42 122.61 3ktg h ASP 37 Ca -0.38 0.16 0.08 0.00 -0.62 0.00 0.00 57.03 56.26 3ktg h ASP 37 Cb 1.27 0.35 -0.09 0.00 0.18 0.00 0.00 39.33 41.05 3ktg h ASP 37 CO 0.64 -0.21 -0.21 -1.13 -3.12 0.00 0.00 179.24 175.20 3ktg h ASN 38 N -0.09 -0.71 -0.67 6.45 -0.73 -1.99 0.26 115.58 118.10 3ktg h ASN 38 Ca 0.21 0.15 -0.04 0.00 1.87 0.00 0.00 56.30 58.49 3ktg h ASN 38 Cb 0.42 0.37 -0.03 0.00 0.27 0.00 0.00 38.32 39.35 3ktg h ASN 38 CO -0.50 -0.24 0.27 0.58 -0.37 0.00 0.00 177.43 177.18 3ktg h VAL 39 N -0.15 1.24 -0.28 2.57 2.07 -1.66 -2.24 116.25 117.79 3ktg h VAL 39 Ca 0.19 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 3ktg h VAL 39 Cb 0.44 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3ktg h VAL 39 CO -0.47 0.30 0.01 0.00 0.02 0.00 0.00 177.57 177.43 3ktg h ALA 40 N 1.30 0.38 -0.81 1.67 0.00 0.58 -1.32 119.26 121.06 3ktg h ALA 40 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ktg h ALA 40 Cb 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3ktg h ALA 40 CO -0.02 0.11 0.51 -0.91 0.00 0.00 0.00 179.25 178.94 3ktg h ASN 41 N 0.28 0.94 0.09 0.00 2.35 -0.36 -0.15 115.58 118.73 3ktg h ASN 41 Ca 0.08 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3ktg h ASN 41 Cb 0.42 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3ktg h ASN 41 CO 0.01 0.70 -0.04 -1.28 -1.65 0.00 0.00 177.43 175.17 3ktg h SER 42 N 1.10 -0.10 -0.10 5.81 0.87 -1.21 -1.07 113.55 118.86 3ktg h SER 42 Ca 0.29 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3ktg h SER 42 Cb -0.09 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3ktg h SER 42 CO -0.06 0.18 0.01 0.40 -0.53 0.00 0.00 176.83 176.83 3ktg h ILE 43 N -0.39 0.95 -0.19 2.23 5.03 -0.95 -1.17 117.51 123.03 3ktg h ILE 43 Ca -0.01 -0.02 0.02 0.00 -0.12 0.00 0.00 64.86 64.73 3ktg h ILE 43 Cb 0.33 0.89 -0.02 0.00 -3.03 0.00 0.00 36.82 34.99 3ktg h ILE 43 CO 0.02 0.01 0.06 0.58 -0.68 0.00 0.00 178.15 178.14 3ktg h VAL 44 N 0.05 0.95 -0.38 1.67 2.07 -1.04 0.70 116.25 120.29 3ktg h VAL 44 Ca 0.04 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3ktg h VAL 44 Cb 0.04 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3ktg h VAL 44 CO -0.06 0.03 0.18 0.77 0.02 0.00 0.00 177.57 178.50 3ktg h SER 45 N 0.15 0.46 -0.37 0.57 4.64 -1.07 0.56 113.55 118.50 3ktg h SER 45 Ca 0.08 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 3ktg h SER 45 Cb 0.05 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3ktg h SER 45 CO -0.08 0.40 -0.09 1.56 -0.87 0.00 0.00 176.83 177.74 3ktg h GLN 46 N 0.52 0.71 -0.66 4.77 4.20 -0.37 -1.23 115.11 123.05 3ktg h GLN 46 Ca 0.13 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 3ktg h GLN 46 Cb 0.06 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3ktg h GLN 46 CO -0.02 0.87 0.15 -0.07 -0.67 0.00 0.00 178.83 179.09 3ktg h LEU 47 N 0.51 1.00 -0.27 1.46 3.38 0.09 -1.34 115.31 120.13 3ktg h LEU 47 Ca 0.09 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3ktg h LEU 47 Cb 0.61 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ktg h LEU 47 CO 0.04 0.97 -0.27 -0.07 0.09 0.00 0.00 178.44 179.19 3ktg h LEU 48 N 1.00 0.71 -0.53 1.67 3.38 -0.87 -1.81 115.31 118.87 3ktg h LEU 48 Ca 0.21 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3ktg h LEU 48 Cb 0.37 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3ktg h LEU 48 CO 0.00 1.03 0.33 0.15 0.09 0.00 0.00 178.44 180.05 3ktg h PHE 49 N 0.39 0.62 -0.44 1.13 3.57 -1.07 0.17 116.94 121.31 3ktg h PHE 49 Ca 0.04 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 3ktg h PHE 49 Cb 0.83 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3ktg h PHE 49 CO 0.07 0.37 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.35 3ktg h LEU 50 N 0.66 0.78 -1.22 0.59 3.38 -1.21 -1.63 115.31 116.67 3ktg h LEU 50 Ca 0.20 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3ktg h LEU 50 Cb -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3ktg h LEU 50 CO -0.07 0.90 -0.38 0.00 0.09 0.00 0.00 178.44 178.98 3ktg h ALA 51 N 1.17 1.35 -0.09 1.53 0.00 -0.78 -2.34 119.26 120.10 3ktg h ALA 51 Ca 0.12 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 3ktg h ALA 51 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ktg h ALA 51 CO 0.04 0.49 -0.76 0.00 0.00 0.00 0.00 179.25 179.01 3ktg h ALA 52 N 1.60 0.49 0.49 0.00 0.00 -0.55 -1.92 119.26 119.37 3ktg h ALA 52 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 3ktg h ALA 52 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3ktg h ALA 52 CO 0.05 0.74 -0.23 0.93 0.00 0.00 0.00 179.25 180.74 3ktg h GLU 53 N 0.35 -0.63 -1.55 0.00 4.39 -0.88 -3.42 114.58 112.84 3ktg h GLU 53 Ca -0.04 0.04 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 3ktg h GLU 53 Cb 1.36 0.14 -0.26 0.00 -0.10 0.00 0.00 28.75 29.89 3ktg h GLU 53 CO 0.14 -0.38 -0.57 0.34 -1.16 0.00 0.00 179.01 177.38 3ktg s ASP 54 N -4.68 0.01 0.00 1.42 -1.08 -0.92 -5.00 116.67 106.42 3ktg s ASP 54 Ca -0.16 -1.08 0.00 0.00 -0.52 0.00 0.00 52.55 50.79 3ktg s ASP 54 Cb 0.03 1.18 0.01 0.00 -1.46 0.00 0.00 42.92 42.68 3ktg s ASP 54 CO 0.60 -0.24 0.71 -0.81 0.52 0.00 0.00 175.17 175.95 3ktg n PRO 55 N 4.50 0.00 -0.05 4.34 -0.04 -0.72 -1.59 135.00 141.43 3ktg n PRO 55 Ca 0.09 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 3ktg n PRO 55 Cb 0.50 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.21 0.73 -2.41 0.54 -0.58 -1.26 -2.27 120.64 114.19 3ktg n GLU 56 Ca 0.00 -0.10 -0.37 0.00 -0.42 0.00 0.00 57.16 56.27 3ktg n GLU 56 Cb 0.00 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.34 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 -2.95 4.06 0.87 3.49 -0.14 -0.62 -4.83 119.74 119.61 3ktg s LYS 57 Ca -0.09 1.67 -0.12 0.00 -1.36 0.00 0.00 55.97 56.08 3ktg s LYS 57 Cb 0.09 -2.57 0.11 0.00 -1.68 0.00 0.00 37.83 33.78 3ktg s LYS 57 CO 0.83 -0.27 1.12 -2.00 -0.76 0.00 0.00 175.35 174.27 3ktg s GLU 58 N -2.45 1.51 -0.01 1.68 2.12 -1.26 -4.37 118.70 115.93 3ktg s GLU 58 Ca 0.58 0.43 0.01 0.00 0.36 0.00 0.00 54.97 56.35 3ktg s GLU 58 Cb -0.26 -1.87 0.00 0.00 0.26 0.00 0.00 34.13 32.26 3ktg s GLU 58 CO 0.33 -1.97 -0.02 0.42 -0.54 0.00 0.00 175.26 173.48 3ktg s ILE 59 N -3.23 0.15 -0.23 -3.70 1.01 -0.57 -4.92 121.20 109.72 3ktg s ILE 59 Ca 0.63 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 61.17 3ktg s ILE 59 Cb -0.15 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 3ktg s ILE 59 CO 0.54 0.06 0.01 -0.44 0.00 0.00 0.00 174.94 175.10 3ktg s SER 60 N 0.11 4.69 -0.30 3.58 0.01 -0.73 -0.06 113.70 120.99 3ktg s SER 60 Ca -0.01 -0.30 -0.04 0.00 1.31 0.00 0.00 55.95 56.92 3ktg s SER 60 Cb -0.03 -1.82 0.04 0.00 0.21 0.00 0.00 66.02 64.42 3ktg s SER 60 CO -0.00 -0.02 0.03 -0.22 0.41 0.00 0.00 173.24 173.44 3ktg s LEU 61 N 1.49 3.92 0.00 2.44 2.96 0.17 -0.56 118.68 129.11 3ktg s LEU 61 Ca 0.06 -1.10 -0.27 0.00 -0.22 0.00 0.00 54.13 52.60 3ktg s LEU 61 Cb -0.15 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3ktg s LEU 61 CO 0.00 -0.25 0.85 -0.31 -1.32 0.00 0.00 176.35 175.31 3ktg s TYR 62 N 1.34 3.67 -0.17 5.38 1.51 -0.25 -1.40 117.35 127.43 3ktg s TYR 62 Ca -0.02 1.53 0.01 0.00 -1.01 0.00 0.00 57.07 57.57 3ktg s TYR 62 Cb -0.19 -2.95 0.02 0.00 -0.11 0.00 0.00 41.96 38.73 3ktg s TYR 62 CO 0.00 0.11 -0.18 0.42 -1.11 0.00 0.00 175.55 174.79 3ktg s ILE 63 N 0.60 1.94 -0.37 2.71 1.01 0.15 -1.28 121.20 125.96 3ktg s ILE 63 Ca 0.44 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3ktg s ILE 63 Cb -0.20 -1.77 0.15 0.00 0.01 0.00 0.00 42.46 40.65 3ktg s ILE 63 CO 0.24 0.51 0.29 0.21 0.00 0.00 0.00 174.94 176.19 3ktg s ASN 64 N 1.34 2.07 -0.11 3.58 2.47 -0.24 -0.36 114.94 123.69 3ktg s ASN 64 Ca 0.05 -2.00 -0.16 0.00 0.42 0.00 0.00 52.86 51.17 3ktg s ASN 64 Cb -0.13 0.02 0.04 0.00 -1.45 0.00 0.00 41.25 39.73 3ktg s ASN 64 CO -0.12 -0.28 0.41 -0.55 -3.72 0.00 0.00 177.10 172.84 3ktg s SER 65 N 1.14 -0.39 0.00 -4.21 0.15 0.34 -2.80 113.70 107.93 3ktg s SER 65 Ca 0.19 0.63 0.30 0.00 0.70 0.00 0.00 55.95 57.77 3ktg s SER 65 Cb -0.18 0.68 1.64 0.00 -1.71 0.00 0.00 66.02 66.45 3ktg s SER 65 CO -0.02 -0.27 2.07 -0.81 1.20 0.00 0.00 173.24 175.42 3ktg n PRO 66 N 2.26 1.19 0.00 5.44 -0.04 -1.26 -1.56 135.00 141.03 3ktg n PRO 66 Ca -0.16 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 3ktg n PRO 66 Cb 0.57 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.04 -0.24 0.00 0.55 0.00 -1.22 -4.37 105.19 100.95 3ktg n GLY 67 Ca 0.22 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.04 3.61 -0.02 0.00 -1.26 0.15 105.19 107.63 3ktg n GLY 68 Ca 0.00 -0.84 -0.47 0.00 0.00 0.00 0.00 46.02 44.71 3ktg n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ktg n SER 69 N 0.00 1.72 -0.03 1.61 2.88 -0.17 -4.76 113.62 114.87 3ktg n SER 69 Ca 0.00 1.15 -0.16 0.00 -1.33 0.00 0.00 58.87 58.53 3ktg n SER 69 Cb 0.00 -1.28 -0.09 0.00 -0.75 0.00 0.00 64.21 62.09 3ktg n SER 69 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3ktg h ILE 70 N 2.68 1.40 -0.36 2.46 2.04 -1.97 -2.11 117.51 121.64 3ktg h ILE 70 Ca -0.43 -1.79 -0.06 0.00 1.00 0.00 0.00 64.86 63.58 3ktg h ILE 70 Cb 1.32 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 39.67 3ktg h ILE 70 CO 0.70 0.52 -0.03 0.71 0.00 0.00 0.00 178.15 180.05 3ktg h THR 71 N -0.03 1.22 -0.46 -0.27 1.35 -1.98 -0.76 112.91 111.97 3ktg h THR 71 Ca -0.03 -0.90 -0.13 0.00 -0.55 0.00 0.00 66.41 64.80 3ktg h THR 71 Cb 1.07 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 3ktg h THR 71 CO 0.09 0.31 -0.22 0.00 -0.25 0.00 0.00 175.52 175.44 3ktg h ALA 72 N 1.42 0.73 -0.10 6.62 0.00 -1.91 -2.32 119.26 123.69 3ktg h ALA 72 Ca 0.11 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 3ktg h ALA 72 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ktg h ALA 72 CO 0.02 0.67 -0.48 0.78 0.00 0.00 0.00 179.25 180.24 3ktg h GLY 73 N 0.89 0.28 1.77 0.00 0.00 -0.84 -2.93 103.07 102.25 3ktg h GLY 73 Ca 0.11 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 3ktg h GLY 73 CO 0.07 0.27 -0.59 -0.33 0.00 0.00 0.00 176.54 175.95 3ktg h MET 74 N 0.21 0.24 -0.67 4.80 2.86 -1.01 0.10 114.93 121.46 3ktg h MET 74 Ca 0.01 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3ktg h MET 74 Cb 0.93 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 3ktg h MET 74 CO 0.08 0.76 0.44 0.00 1.06 0.00 0.00 176.91 179.25 3ktg h ALA 75 N 1.20 0.85 -0.24 6.32 0.00 -1.25 0.48 119.26 126.63 3ktg h ALA 75 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3ktg h ALA 75 Cb 1.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3ktg h ALA 75 CO 0.09 0.26 -0.06 0.82 0.00 0.00 0.00 179.25 180.35 3ktg h ILE 76 N 0.89 1.29 0.20 0.00 2.04 -1.32 -2.39 117.51 118.21 3ktg h ILE 76 Ca 0.25 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 65.04 3ktg h ILE 76 Cb -0.08 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3ktg h ILE 76 CO -0.06 0.33 -0.21 0.22 0.00 0.00 0.00 178.15 178.43 3ktg h TYR 77 N 0.21 -0.57 -0.69 1.37 3.20 -0.12 -0.92 116.97 119.45 3ktg h TYR 77 Ca 0.06 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3ktg h TYR 77 Cb 0.53 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 3ktg h TYR 77 CO 0.05 -0.32 0.34 -0.44 -1.64 0.00 0.00 178.16 176.16 3ktg h ASP 78 N -0.45 0.88 0.12 -2.11 3.45 -0.11 -2.08 116.42 116.12 3ktg h ASP 78 Ca 0.00 -0.09 -0.11 0.00 0.43 0.00 0.00 57.03 57.26 3ktg h ASP 78 Cb 0.43 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 3ktg h ASP 78 CO -0.06 0.74 -0.39 0.74 -1.57 0.00 0.00 179.24 178.70 3ktg h THR 79 N 0.97 1.30 -0.53 0.35 2.02 -1.25 0.20 112.91 115.98 3ktg h THR 79 Ca 0.24 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.91 3ktg h THR 79 Cb 0.08 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 3ktg h THR 79 CO -0.03 0.46 0.31 0.24 0.37 0.00 0.00 175.52 176.86 3ktg h MET 80 N 0.30 0.72 0.08 6.66 2.86 -0.48 -2.58 114.93 122.50 3ktg h MET 80 Ca 0.03 -0.07 -0.27 0.00 -2.06 0.00 0.00 59.70 57.33 3ktg h MET 80 Cb 0.82 -0.15 0.02 0.00 0.06 0.00 0.00 31.60 32.35 3ktg h MET 80 CO 0.07 0.54 -1.15 1.96 1.06 0.00 0.00 176.91 179.39 3ktg h GLN 81 N 0.70 0.47 -0.07 1.72 1.08 -1.31 -3.36 115.11 114.35 3ktg h GLN 81 Ca 0.19 -0.62 0.03 0.00 -1.45 0.00 0.00 58.65 56.80 3ktg h GLN 81 Cb 0.01 0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.61 3ktg h GLN 81 CO -0.03 1.26 -0.14 0.35 -0.95 0.00 0.00 178.83 179.31 3ktg h PHE 82 N 0.22 -0.35 -4.27 2.96 3.57 -0.41 -3.44 116.94 115.20 3ktg h PHE 82 Ca -0.14 0.02 -0.51 0.00 3.53 0.00 0.00 57.97 60.86 3ktg h PHE 82 Cb 1.82 0.17 0.13 0.00 2.79 0.00 0.00 35.95 40.86 3ktg h PHE 82 CO 0.09 -0.21 0.33 0.96 -2.23 0.00 0.00 178.31 177.25 3ktg s ILE 83 N -6.15 3.21 0.05 1.41 -4.36 -0.99 -4.99 121.20 109.38 3ktg s ILE 83 Ca -0.14 0.45 -0.22 0.00 -0.26 0.00 0.00 60.65 60.48 3ktg s ILE 83 Cb 0.09 -2.92 -0.14 0.00 1.25 0.00 0.00 42.46 40.74 3ktg s ILE 83 CO 0.67 -0.46 1.47 0.11 0.24 0.00 0.00 174.94 176.98 3ktg h LYS 84 N -0.78 0.21 -6.61 0.37 1.79 -1.86 -3.45 116.57 106.24 3ktg h LYS 84 Ca -0.45 -0.07 -0.59 0.00 -2.18 0.00 0.00 60.65 57.37 3ktg h LYS 84 Cb 1.24 -0.02 0.12 0.00 -1.58 0.00 0.00 32.23 31.99 3ktg h LYS 84 CO 0.52 0.46 0.19 -2.30 -1.08 0.00 0.00 179.45 177.24 3ktg n PRO 85 N -4.79 1.45 -2.90 3.15 -0.02 -0.96 -4.92 135.00 126.01 3ktg n PRO 85 Ca -0.06 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 3ktg n PRO 85 Cb 0.21 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 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 4.52 -0.27 -0.52 1.02 -1.26 -4.90 119.74 116.45 3ktg s LYS 86 Ca 0.61 1.15 -0.10 0.00 0.02 0.00 0.00 55.97 57.64 3ktg s LYS 86 Cb -0.60 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.25 3ktg s LYS 86 CO 0.58 0.12 0.17 0.08 -0.92 0.00 0.00 175.35 175.39 3ktg s VAL 87 N 0.49 5.18 -0.14 3.17 1.01 -1.26 -1.51 120.40 127.33 3ktg s VAL 87 Ca 0.43 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.43 3ktg s VAL 87 Cb -0.20 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3ktg s VAL 87 CO 0.24 0.27 0.20 -0.55 0.00 0.00 0.00 175.10 175.25 3ktg s SER 88 N 1.69 6.39 0.01 3.32 0.15 0.91 0.02 113.70 126.20 3ktg s SER 88 Ca 0.07 0.46 0.04 0.00 0.70 0.00 0.00 55.95 57.22 3ktg s SER 88 Cb -0.16 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 3ktg s SER 88 CO 0.10 0.27 -0.09 0.42 1.20 0.00 0.00 173.24 175.13 3ktg s THR 89 N -0.29 3.49 -0.07 6.45 -4.23 -0.86 0.46 115.64 120.58 3ktg s THR 89 Ca 0.14 -0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 59.78 3ktg s THR 89 Cb -0.12 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.23 3ktg s THR 89 CO 0.03 0.37 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.84 3ktg s ILE 90 N -0.99 0.49 -0.01 2.99 1.09 -0.49 -0.33 121.20 123.94 3ktg s ILE 90 Ca 0.17 0.02 -0.27 0.00 -1.10 0.00 0.00 60.65 59.47 3ktg s ILE 90 Cb -0.11 -0.61 -0.04 0.00 -1.06 0.00 0.00 42.46 40.65 3ktg s ILE 90 CO 0.07 0.27 0.87 0.00 -0.10 0.00 0.00 174.94 176.05 3ktg s ILE 92 N 0.78 0.89 0.00 0.00 -1.09 0.51 -2.95 121.20 119.35 3ktg s ILE 92 Ca 0.46 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 3ktg s ILE 92 Cb -0.20 -1.01 0.00 0.00 -1.58 0.00 0.00 42.46 39.67 3ktg s ILE 92 CO 0.25 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 3ktg n GLY 93 N 4.97 2.06 2.83 6.18 0.00 -1.26 -4.01 105.19 115.96 3ktg n GLY 93 Ca -0.11 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 0.09 -0.43 1.61 -2.45 -1.26 -0.57 119.30 116.29 3ktg s MET 94 Ca 0.00 0.07 0.03 0.00 -1.25 0.00 0.00 55.69 54.55 3ktg s MET 94 Cb 0.00 -0.25 0.12 0.00 1.25 0.00 0.00 34.83 35.95 3ktg s MET 94 CO 0.00 -0.09 0.17 0.00 1.05 0.00 0.00 175.02 176.16 3ktg s ALA 95 N 0.64 2.92 0.19 4.11 0.00 -0.12 -0.51 121.76 129.00 3ktg s ALA 95 Ca -0.06 -2.84 0.06 0.00 0.00 0.00 0.00 51.96 49.13 3ktg s ALA 95 Cb -0.08 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 3ktg s ALA 95 CO -0.02 -1.89 0.09 0.00 0.00 0.00 0.00 175.76 173.95 3ktg s ALA 96 N 0.32 3.42 0.00 0.00 0.00 -0.60 -0.80 121.76 124.10 3ktg s ALA 96 Ca 0.14 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3ktg s ALA 96 Cb -0.23 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.70 3ktg s ALA 96 CO -0.04 0.45 0.00 -1.13 0.00 0.00 0.00 175.76 175.03 3ktg n SER 97 N -0.42 0.00 0.09 0.00 3.41 0.80 0.46 113.62 117.97 3ktg n SER 97 Ca -0.09 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.70 3ktg n SER 97 Cb 0.56 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.21 3ktg n SER 97 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3ktg h MET 98 N 0.00 0.00 -0.64 4.33 0.00 -1.86 -0.05 114.93 116.71 3ktg h MET 98 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 59.70 59.67 3ktg h MET 98 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 31.57 3ktg h MET 98 CO 0.00 0.00 0.28 0.78 0.00 0.00 0.00 176.91 177.97 3ktg h GLY 99 N 0.00 1.01 1.88 8.32 0.00 -0.24 0.38 103.07 114.42 3ktg h GLY 99 Ca 0.17 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 3ktg h GLY 99 CO -0.00 0.50 -0.37 0.00 0.00 0.00 0.00 176.54 176.67 3ktg h ALA 100 N 1.12 1.26 -0.20 3.60 0.00 -0.90 -0.45 119.26 123.69 3ktg h ALA 100 Ca 0.22 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3ktg h ALA 100 Cb 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ktg h ALA 100 CO -0.02 0.52 -0.17 0.35 0.00 0.00 0.00 179.25 179.92 3ktg h PHE 101 N 0.12 0.57 -0.79 0.00 3.57 -0.74 -1.47 116.94 118.20 3ktg h PHE 101 Ca 0.01 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.32 3ktg h PHE 101 Cb 0.71 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 3ktg h PHE 101 CO 0.01 0.81 0.36 -0.07 -2.23 0.00 0.00 178.31 177.19 3ktg h LEU 102 N 0.16 1.04 -0.34 0.59 3.38 -0.62 -0.17 115.31 119.36 3ktg h LEU 102 Ca 0.04 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3ktg h LEU 102 Cb 0.70 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3ktg h LEU 102 CO 0.04 0.90 0.17 0.25 0.09 0.00 0.00 178.44 179.89 3ktg h LEU 103 N 1.12 0.25 -1.26 1.67 5.85 -0.97 -0.09 115.31 121.88 3ktg h LEU 103 Ca 0.27 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3ktg h LEU 103 Cb 0.14 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3ktg h LEU 103 CO -0.03 0.19 0.00 0.00 -0.34 0.00 0.00 178.44 178.26 3ktg h ALA 104 N 1.17 1.00 0.00 1.25 0.00 -0.87 -2.73 119.26 119.08 3ktg h ALA 104 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ktg h ALA 104 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ktg h ALA 104 CO -0.09 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.16 3ktg h ALA 105 N 2.10 1.00 -2.11 0.00 0.00 0.86 -3.47 119.26 117.64 3ktg h ALA 105 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3ktg h ALA 105 Cb 0.42 0.00 0.21 0.00 0.00 0.00 0.00 17.79 18.42 3ktg h ALA 105 CO 0.00 0.00 -0.30 0.41 0.00 0.00 0.00 179.25 179.36 3ktg n GLY 106 N 0.85 -1.58 3.67 0.00 0.00 -1.03 -4.83 105.19 102.26 3ktg n GLY 106 Ca 0.04 -0.83 -0.48 0.00 0.00 0.00 0.00 46.02 44.75 3ktg n GLY 106 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ktg n GLU 107 N -3.23 2.08 -1.57 1.61 4.07 0.10 -4.83 120.64 118.88 3ktg n GLU 107 Ca 0.07 0.76 -0.52 0.00 -0.06 0.00 0.00 57.16 57.41 3ktg n GLU 107 Cb 0.55 -2.56 -0.06 0.00 -0.06 0.00 0.00 31.44 29.31 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 4.99 1.38 0.00 5.31 3.00 -1.26 0.15 118.16 131.73 3ktg n LYS 108 Ca 0.20 0.45 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 3ktg n LYS 108 Cb 0.28 -2.43 0.00 0.00 0.00 0.00 0.00 35.03 32.88 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 5.42 0.74 1.25 3.14 0.00 -1.26 -4.93 105.19 109.56 3ktg n GLY 109 Ca 0.33 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.21 1.43 -3.65 1.61 4.01 0.12 -4.89 118.16 115.58 3ktg n LYS 110 Ca 0.00 -3.07 -0.39 0.00 -0.51 0.00 0.00 58.31 54.34 3ktg n LYS 110 Cb 0.00 -1.24 -0.11 0.00 -0.51 0.00 0.00 35.03 33.16 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 -2.40 2.72 0.39 1.97 0.52 -1.24 -2.02 118.95 118.89 3ktg s ARG 111 Ca 0.38 -1.15 0.08 0.00 -0.52 0.00 0.00 55.73 54.51 3ktg s ARG 111 Cb 0.38 -3.64 -0.07 0.00 0.52 0.00 0.00 34.95 32.13 3ktg s ARG 111 CO -0.08 -0.71 -0.01 0.71 0.02 0.00 0.00 175.30 175.22 3ktg s TYR 112 N 1.49 2.49 0.14 -0.53 1.51 0.55 0.10 117.35 123.10 3ktg s TYR 112 Ca 0.01 -0.62 -0.11 0.00 -1.01 0.00 0.00 57.07 55.34 3ktg s TYR 112 Cb -0.20 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 39.98 3ktg s TYR 112 CO 0.05 0.48 0.30 0.00 -1.11 0.00 0.00 175.55 175.27 3ktg s ALA 113 N -2.68 -0.28 0.17 3.71 0.00 -1.10 -0.21 121.76 121.38 3ktg s ALA 113 Ca 0.35 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.70 3ktg s ALA 113 Cb 0.08 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 3ktg s ALA 113 CO 0.18 -0.63 0.27 -0.51 0.00 0.00 0.00 175.76 175.07 3ktg s LEU 114 N -2.91 4.24 0.22 0.00 1.43 -1.15 -0.55 118.68 119.95 3ktg s LEU 114 Ca 0.11 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 3ktg s LEU 114 Cb 0.03 -2.81 0.57 0.00 0.03 0.00 0.00 46.19 44.02 3ktg s LEU 114 CO -0.05 0.03 1.11 -2.65 0.23 0.00 0.00 176.35 175.03 3ktg n PRO 115 N -0.70 -0.06 -0.57 1.29 -0.02 -1.21 -0.42 135.00 133.31 3ktg n PRO 115 Ca -0.08 1.06 0.08 0.00 -2.02 0.00 0.00 63.50 62.54 3ktg n PRO 115 Cb 0.55 -1.69 0.32 0.00 -0.02 0.00 0.00 33.50 32.65 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 -4.94 4.49 -4.76 2.55 4.13 -1.26 -4.55 115.26 110.93 3ktg n ASN 116 Ca 0.17 -2.60 -0.32 0.00 1.68 0.00 0.00 54.58 53.52 3ktg n ASN 116 Cb 0.57 -0.54 0.08 0.00 -1.54 0.00 0.00 39.78 38.35 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 -1.14 4.57 0.07 6.41 0.01 0.43 -4.80 113.70 119.25 3ktg s SER 117 Ca 0.46 1.90 0.06 0.00 1.31 0.00 0.00 55.95 59.68 3ktg s SER 117 Cb 0.32 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 3ktg s SER 117 CO 0.18 -1.99 -0.18 -1.61 0.41 0.00 0.00 173.24 170.06 3ktg s GLU 118 N -4.66 1.05 -0.03 12.44 2.02 0.26 -2.88 118.70 126.90 3ktg s GLU 118 Ca 0.63 -0.98 0.03 0.00 0.02 0.00 0.00 54.97 54.67 3ktg s GLU 118 Cb -0.19 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 32.89 3ktg s GLU 118 CO 0.52 0.28 -0.10 0.08 0.02 0.00 0.00 175.26 176.06 3ktg s VAL 119 N -1.06 0.85 -0.09 2.63 1.01 -0.56 -0.94 120.40 122.23 3ktg s VAL 119 Ca 0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 3ktg s VAL 119 Cb -0.09 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.56 3ktg s VAL 119 CO 0.03 0.26 -0.05 -0.32 0.00 0.00 0.00 175.10 175.02 3ktg s MET 120 N 0.23 1.19 -0.03 2.72 1.75 0.02 -0.08 119.30 125.10 3ktg s MET 120 Ca -0.04 -0.14 0.04 0.00 -1.25 0.00 0.00 55.69 54.29 3ktg s MET 120 Cb -0.09 -1.30 -0.03 0.00 2.84 0.00 0.00 34.83 36.25 3ktg s MET 120 CO 0.01 -0.23 -0.13 0.96 -0.65 0.00 0.00 175.02 174.98 3ktg s ILE 121 N 1.59 3.19 0.29 10.11 -4.36 -0.88 -0.14 121.20 131.00 3ktg s ILE 121 Ca 0.01 -0.76 -0.20 0.00 -0.26 0.00 0.00 60.65 59.44 3ktg s ILE 121 Cb -0.13 -2.29 0.03 0.00 1.25 0.00 0.00 42.46 41.32 3ktg s ILE 121 CO -0.05 0.53 0.76 -1.38 0.24 0.00 0.00 174.94 175.04 3ktg s HIS 122 N -0.81 -0.12 0.71 1.37 -3.43 -1.26 -1.57 115.29 110.19 3ktg s HIS 122 Ca 0.13 -0.37 -0.11 0.00 -0.80 0.00 0.00 55.06 53.91 3ktg s HIS 122 Cb -0.11 0.73 0.02 0.00 -1.43 0.00 0.00 32.58 31.79 3ktg s HIS 122 CO 0.02 -1.26 1.08 1.14 -2.00 0.00 0.00 174.74 173.72 3ktg s GLN 123 N -3.51 2.81 0.59 -0.38 -2.07 -0.39 -4.94 119.66 111.78 3ktg s GLN 123 Ca 0.12 0.59 -0.20 0.00 -1.82 0.00 0.00 55.36 54.05 3ktg s GLN 123 Cb -0.05 -2.01 -0.03 0.00 -1.09 0.00 0.00 33.01 29.83 3ktg s GLN 123 CO 0.07 -1.10 1.31 -2.30 -1.32 0.00 0.00 175.29 171.96 3ktg n PRO 124 N -3.07 1.39 -4.27 9.60 -0.02 -1.26 -5.04 135.00 132.34 3ktg n PRO 124 Ca 0.07 0.53 -0.27 0.00 -2.02 0.00 0.00 63.50 61.80 3ktg n PRO 124 Cb 0.56 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.42 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 -3.75 3.03 0.00 2.45 1.43 -1.26 -5.10 118.68 115.48 3ktg s LEU 125 Ca 0.77 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3ktg s LEU 125 Cb -0.40 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.08 3ktg s LEU 125 CO 0.45 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.76 3ktg n GLY 126 N 0.16 1.45 3.62 -3.19 0.00 -1.26 -5.06 105.19 100.90 3ktg n GLY 126 Ca -0.11 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.72 -0.35 -0.19 -0.02 0.00 -1.26 -5.17 107.32 99.60 3ktg s GLY 127 Ca 0.00 0.98 -0.27 0.00 0.00 0.00 0.00 44.72 45.43 3ktg s GLY 127 CO 0.00 0.28 0.70 0.00 0.00 0.00 0.00 173.10 174.08 3ktg s ALA 128 N -2.62 -1.76 0.20 3.20 0.00 -1.26 -4.98 121.76 114.54 3ktg s ALA 128 Ca 0.11 1.76 0.01 0.00 0.00 0.00 0.00 51.96 53.84 3ktg s ALA 128 Cb 0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 3ktg s ALA 128 CO -0.04 -0.35 0.05 -1.14 0.00 0.00 0.00 175.76 174.29 3ktg s GLN 129 N -0.18 1.21 0.00 0.00 2.00 -1.26 -4.99 119.66 116.44 3ktg s GLN 129 Ca -0.04 -1.62 0.00 0.00 -2.00 0.00 0.00 55.36 51.70 3ktg s GLN 129 Cb -0.03 -0.16 0.00 0.00 0.80 0.00 0.00 33.01 33.61 3ktg s GLN 129 CO 0.04 -0.23 0.00 0.41 -0.50 0.00 0.00 175.29 175.01 3ktg n GLY 130 N -0.31 -0.63 3.75 2.59 0.00 -1.26 -4.53 105.19 104.80 3ktg n GLY 130 Ca -0.03 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 0.00 2.91 0.28 1.61 -0.21 -1.26 -4.74 119.66 118.24 3ktg s GLN 131 Ca 0.00 1.79 0.01 0.00 0.02 0.00 0.00 55.36 57.18 3ktg s GLN 131 Cb 0.00 -1.92 0.64 0.00 1.00 0.00 0.00 33.01 32.73 3ktg s GLN 131 CO 0.00 -1.25 1.69 0.00 -2.12 0.00 0.00 175.29 173.62 3ktg h ALA 132 N 0.76 1.28 -0.57 6.09 0.00 -1.98 0.26 119.26 125.10 3ktg h ALA 132 Ca -0.50 0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.59 3ktg h ALA 132 Cb 1.29 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 3ktg h ALA 132 CO 0.55 -0.33 0.36 1.15 0.00 0.00 0.00 179.25 180.98 3ktg h THR 133 N 0.37 1.11 -0.43 0.00 2.02 -1.99 -0.07 112.91 113.92 3ktg h THR 133 Ca 0.51 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 67.39 3ktg h THR 133 Cb 0.94 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3ktg h THR 133 CO -0.52 0.13 0.07 -0.33 0.37 0.00 0.00 175.52 175.24 3ktg h GLU 134 N 0.73 0.71 -0.09 6.66 5.08 -1.01 -1.99 114.58 124.67 3ktg h GLU 134 Ca 0.22 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3ktg h GLU 134 Cb -0.04 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3ktg h GLU 134 CO -0.07 0.74 -0.07 0.82 -1.00 0.00 0.00 179.01 179.43 3ktg h ILE 135 N 0.56 1.11 -0.05 3.13 2.04 -0.19 -1.88 117.51 122.24 3ktg h ILE 135 Ca 0.13 -0.47 -0.18 0.00 1.00 0.00 0.00 64.86 65.34 3ktg h ILE 135 Cb 0.37 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3ktg h ILE 135 CO 0.01 0.14 -0.76 -0.08 0.00 0.00 0.00 178.15 177.46 3ktg h GLU 136 N 0.13 0.32 -0.48 2.37 4.81 -0.64 -1.50 114.58 119.59 3ktg h GLU 136 Ca 0.03 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3ktg h GLU 136 Cb 0.21 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3ktg h GLU 136 CO 0.01 0.94 0.21 0.82 -0.73 0.00 0.00 179.01 180.26 3ktg h ILE 137 N 0.21 1.20 -0.12 2.32 2.04 -0.62 0.26 117.51 122.80 3ktg h ILE 137 Ca -0.03 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 3ktg h ILE 137 Cb 1.34 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3ktg h ILE 137 CO 0.12 0.23 -0.04 0.00 0.00 0.00 0.00 178.15 178.47 3ktg h ALA 138 N 1.05 0.17 -0.13 1.87 0.00 -1.39 -1.91 119.26 118.93 3ktg h ALA 138 Ca 0.16 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ktg h ALA 138 Cb 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3ktg h ALA 138 CO -0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 179.25 179.08 3ktg h ALA 139 N 0.68 0.04 -0.75 0.00 0.00 -1.18 0.23 119.26 118.29 3ktg h ALA 139 Ca 0.03 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.10 3ktg h ALA 139 Cb 0.46 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 3ktg h ALA 139 CO 0.01 -0.52 0.37 0.87 0.00 0.00 0.00 179.25 179.98 3ktg h LYS 140 N -0.07 0.59 -0.03 0.00 1.57 -0.91 -1.13 116.57 116.60 3ktg h LYS 140 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3ktg h LYS 140 Cb 0.18 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3ktg h LYS 140 CO -0.18 0.39 -0.01 -0.09 -0.57 0.00 0.00 179.45 178.99 3ktg h ARG 141 N 0.61 0.06 -0.14 3.15 2.43 -0.48 -2.14 114.38 117.86 3ktg h ARG 141 Ca 0.38 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 3ktg h ARG 141 Cb 0.44 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3ktg h ARG 141 CO -0.29 0.47 -0.00 0.97 -1.51 0.00 0.00 179.97 179.60 3ktg h ILE 142 N -0.36 1.09 -0.00 1.20 2.10 -0.30 0.28 117.51 121.53 3ktg h ILE 142 Ca 0.01 -0.36 -0.13 0.00 1.08 0.00 0.00 64.86 65.45 3ktg h ILE 142 Cb 0.45 1.00 -0.02 0.00 -1.09 0.00 0.00 36.82 37.16 3ktg h ILE 142 CO 0.00 0.12 -0.63 -0.07 -1.08 0.00 0.00 178.15 176.49 3ktg h LEU 143 N 0.19 0.02 -0.05 2.19 3.38 -1.18 -2.30 115.31 117.56 3ktg h LEU 143 Ca 0.05 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.77 3ktg h LEU 143 Cb 0.14 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.90 3ktg h LEU 143 CO 0.00 0.65 -0.89 -0.07 0.09 0.00 0.00 178.44 178.22 3ktg h LEU 144 N 0.01 0.88 -0.76 1.67 3.38 -0.42 -2.82 115.31 117.26 3ktg h LEU 144 Ca -0.01 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 57.26 3ktg h LEU 144 Cb 1.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 3ktg h LEU 144 CO 0.08 1.46 0.45 -0.07 0.09 0.00 0.00 178.44 180.45 3ktg h LEU 145 N 0.38 0.92 -0.77 1.67 3.38 -0.96 -0.71 115.31 119.22 3ktg h LEU 145 Ca -0.10 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3ktg h LEU 145 Cb 1.55 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 3ktg h LEU 145 CO 0.18 0.72 0.51 -0.09 0.09 0.00 0.00 178.44 179.85 3ktg h ARG 146 N 1.04 1.01 -0.40 1.13 2.43 -1.43 0.20 114.38 118.36 3ktg h ARG 146 Ca 0.27 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 3ktg h ARG 146 Cb -0.03 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 3ktg h ARG 146 CO -0.05 0.67 -0.25 0.22 -1.51 0.00 0.00 179.97 179.05 3ktg h ASP 147 N 1.04 0.85 -0.06 -3.80 -0.00 -1.16 0.18 116.42 113.48 3ktg h ASP 147 Ca 0.28 -0.32 -0.01 0.00 -0.00 0.00 0.00 57.03 56.98 3ktg h ASP 147 Cb -0.12 -0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 38.97 3ktg h ASP 147 CO -0.06 1.06 0.01 0.50 -0.00 0.00 0.00 179.24 180.75 3ktg h LYS 148 N 0.72 0.10 -0.50 0.28 3.64 -0.63 -1.72 116.57 118.46 3ktg h LYS 148 Ca 0.09 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3ktg h LYS 148 Cb 0.78 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 3ktg h LYS 148 CO 0.06 0.30 0.30 -0.07 -2.27 0.00 0.00 179.45 177.78 3ktg h LEU 149 N -0.12 0.60 -1.05 5.20 3.38 -0.50 -2.35 115.31 120.47 3ktg h LEU 149 Ca 0.02 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ktg h LEU 149 Cb 0.25 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3ktg h LEU 149 CO 0.00 0.48 0.62 0.78 0.09 0.00 0.00 178.44 180.40 3ktg h ASN 150 N 0.67 1.10 -0.47 -0.43 2.35 -0.52 -1.11 115.58 117.16 3ktg h ASN 150 Ca 0.18 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.83 3ktg h ASN 150 Cb -0.01 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3ktg h ASN 150 CO -0.03 0.80 0.03 0.11 -1.65 0.00 0.00 177.43 176.69 3ktg h LYS 151 N 1.29 0.81 -0.19 0.81 1.57 -1.04 -0.83 116.57 118.99 3ktg h LYS 151 Ca 0.35 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3ktg h LYS 151 Cb -0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3ktg h LYS 151 CO -0.07 0.85 0.05 0.28 -0.57 0.00 0.00 179.45 179.99 3ktg h VAL 152 N 0.67 1.19 -0.61 0.50 2.07 -1.10 -2.62 116.25 116.35 3ktg h VAL 152 Ca 0.14 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.07 3ktg h VAL 152 Cb 0.46 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 3ktg h VAL 152 CO 0.02 0.19 0.39 0.25 0.02 0.00 0.00 177.57 178.44 3ktg h LEU 153 N 0.13 0.65 -0.50 2.57 6.46 -1.11 -0.79 115.31 122.71 3ktg h LEU 153 Ca 0.06 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.86 3ktg h LEU 153 Cb 0.24 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 39.98 3ktg h LEU 153 CO -0.00 0.46 0.24 0.00 -0.62 0.00 0.00 178.44 178.52 3ktg h ALA 154 N 1.25 0.64 0.06 1.25 0.00 -1.05 0.45 119.26 121.85 3ktg h ALA 154 Ca 0.24 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ktg h ALA 154 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ktg h ALA 154 CO -0.08 -0.12 -0.03 0.93 0.00 0.00 0.00 179.25 179.95 3ktg h GLU 155 N 0.47 -0.07 -0.02 0.00 5.08 -1.07 0.42 114.58 119.39 3ktg h GLU 155 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3ktg h GLU 155 Cb 0.15 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ktg h GLU 155 CO -0.17 0.15 0.01 0.00 -1.00 0.00 0.00 179.01 178.00 3ktg h ARG 156 N -0.29 0.00 0.00 2.33 2.47 -0.86 -2.97 114.38 115.06 3ktg h ARG 156 Ca -0.01 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.43 3ktg h ARG 156 Cb 0.26 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.53 3ktg h ARG 156 CO 0.01 0.00 -2.06 0.25 0.56 0.00 0.00 179.97 178.73 3ktg n THR 157 N -4.47 1.25 -0.06 2.04 -2.24 0.12 -4.84 114.28 106.08 3ktg n THR 157 Ca -0.03 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 3ktg n THR 157 Cb 0.11 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 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 1.60 0.68 3.80 3.38 0.00 0.15 -4.48 105.19 110.32 3ktg n GLY 158 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.76 4.11 0.38 1.61 -1.52 -1.06 -4.98 119.66 117.44 3ktg s GLN 159 Ca 0.00 1.32 -0.26 0.00 -1.95 0.00 0.00 55.36 54.48 3ktg s GLN 159 Cb 0.00 -2.31 -0.09 0.00 -0.22 0.00 0.00 33.01 30.39 3ktg s GLN 159 CO 0.00 -0.15 1.14 -1.25 -0.25 0.00 0.00 175.29 174.77 3ktg s PRO 160 N -2.90 4.17 0.26 2.91 0.04 -1.26 -4.51 135.00 133.72 3ktg s PRO 160 Ca 0.61 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 63.40 3ktg s PRO 160 Cb -0.16 -2.73 0.54 0.00 0.04 0.00 0.00 34.50 32.19 3ktg s PRO 160 CO 0.20 -0.21 1.64 1.25 0.04 0.00 0.00 177.00 179.92 3ktg h LEU 161 N 2.79 -0.24 -1.22 -3.56 5.85 -1.92 0.13 115.31 117.14 3ktg h LEU 161 Ca -0.48 0.20 0.19 0.00 0.84 0.00 0.00 57.88 58.62 3ktg h LEU 161 Cb 1.23 0.33 -0.09 0.00 0.37 0.00 0.00 40.66 42.50 3ktg h LEU 161 CO 0.63 -0.18 0.61 -0.33 -0.34 0.00 0.00 178.44 178.83 3ktg h GLU 162 N 0.14 0.62 -0.16 1.25 4.39 -1.98 0.55 114.58 119.39 3ktg h GLU 162 Ca 0.47 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.96 3ktg h GLU 162 Cb 0.87 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.39 3ktg h GLU 162 CO -0.68 0.41 -0.58 0.28 -1.16 0.00 0.00 179.01 177.29 3ktg h VAL 163 N 0.64 1.32 -0.92 3.13 2.07 -1.12 -1.81 116.25 119.56 3ktg h VAL 163 Ca 0.52 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 3ktg h VAL 163 Cb 0.96 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 3ktg h VAL 163 CO -0.28 0.57 0.53 0.40 0.02 0.00 0.00 177.57 178.81 3ktg h ILE 164 N 0.35 1.26 0.01 4.57 1.08 -0.91 0.21 117.51 124.07 3ktg h ILE 164 Ca -0.03 -0.60 -0.00 0.00 -0.39 0.00 0.00 64.86 63.84 3ktg h ILE 164 Cb 1.21 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 3ktg h ILE 164 CO 0.12 0.28 -0.00 -0.33 -0.69 0.00 0.00 178.15 177.53 3ktg h GLU 165 N 1.28 -0.01 -0.05 2.37 5.08 -0.83 -2.76 114.58 119.67 3ktg h GLU 165 Ca 0.33 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.53 3ktg h GLU 165 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3ktg h GLU 165 CO -0.06 0.11 -0.67 0.00 -1.00 0.00 0.00 179.01 177.40 3ktg h ARG 166 N -0.12 0.23 0.00 2.33 3.08 -1.10 -3.16 114.38 115.63 3ktg h ARG 166 Ca -0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3ktg h ARG 166 Cb 0.12 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3ktg h ARG 166 CO 0.00 0.81 0.00 -0.25 -1.07 0.00 0.00 179.97 179.47 3ktg n ASP 167 N -3.82 0.00 -0.03 7.04 8.00 0.71 -3.19 116.55 125.27 3ktg n ASP 167 Ca -0.03 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.32 3ktg n ASP 167 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 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 -0.92 0.00 -0.29 -3.53 -2.24 -1.05 -4.61 114.28 101.64 3ktg n THR 168 Ca 0.20 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.65 3ktg n THR 168 Cb 0.09 1.01 0.44 0.00 -2.10 0.00 0.00 70.33 69.77 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 0.12 0.55 -5.18 3.42 -0.00 -1.54 -1.03 116.42 112.77 3ktg h ASP 169 Ca 0.00 0.06 -0.13 0.00 -0.00 0.00 0.00 57.03 56.97 3ktg h ASP 169 Cb 0.03 -0.04 -0.16 0.00 -0.00 0.00 0.00 39.33 39.16 3ktg h ASP 169 CO 0.00 0.20 -0.65 -0.13 -0.00 0.00 0.00 179.24 178.66 3ktg s ARG 170 N -5.59 0.58 -0.41 0.28 0.52 -1.26 -4.75 118.95 108.31 3ktg s ARG 170 Ca -0.09 -1.07 -0.45 0.00 -0.52 0.00 0.00 55.73 53.59 3ktg s ARG 170 Cb 0.24 0.20 -0.19 0.00 0.52 0.00 0.00 34.95 35.72 3ktg s ARG 170 CO 0.79 -0.11 1.58 -0.25 0.02 0.00 0.00 175.30 177.32 3ktg n ASP 171 N 0.38 1.31 -4.01 0.23 10.43 -1.26 -4.76 116.55 118.87 3ktg n ASP 171 Ca -0.16 1.17 -0.31 0.00 2.57 0.00 0.00 54.79 58.06 3ktg n ASP 171 Cb 0.60 -0.93 -0.15 0.00 1.84 0.00 0.00 41.12 42.48 3ktg n ASP 171 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3ktg s ASN 172 N 2.80 4.71 -0.03 -2.24 3.04 -0.61 -5.02 114.94 117.59 3ktg s ASN 172 Ca 1.02 -2.22 -0.25 0.00 0.04 0.00 0.00 52.86 51.45 3ktg s ASN 172 Cb -1.40 -1.61 -0.04 0.00 -1.54 0.00 0.00 41.25 36.66 3ktg s ASN 172 CO 0.77 -0.37 0.77 -0.36 -3.04 0.00 0.00 177.10 174.87 3ktg s PHE 173 N 0.81 3.63 0.04 0.43 0.08 -1.26 -2.06 117.98 119.64 3ktg s PHE 173 Ca 0.11 1.39 0.05 0.00 0.12 0.00 0.00 56.93 58.61 3ktg s PHE 173 Cb -0.20 -2.87 -0.02 0.00 -0.57 0.00 0.00 43.02 39.36 3ktg s PHE 173 CO -0.08 0.11 -0.15 0.15 -0.10 0.00 0.00 175.22 175.15 3ktg s LYS 174 N 0.64 1.04 0.63 0.44 1.02 0.88 -5.00 119.74 119.40 3ktg s LYS 174 Ca 0.41 -0.77 -0.08 0.00 0.02 0.00 0.00 55.97 55.55 3ktg s LYS 174 Cb -0.19 -1.07 0.01 0.00 -0.52 0.00 0.00 37.83 36.06 3ktg s LYS 174 CO 0.21 0.27 0.97 -1.54 -0.92 0.00 0.00 175.35 174.34 3ktg s SER 175 N -1.08 5.55 0.30 2.83 1.04 -1.26 -1.50 113.70 119.58 3ktg s SER 175 Ca 0.03 0.86 0.05 0.00 0.48 0.00 0.00 55.95 57.37 3ktg s SER 175 Cb -0.08 -1.79 0.73 0.00 0.10 0.00 0.00 66.02 64.98 3ktg s SER 175 CO 0.01 -1.15 1.77 0.00 0.98 0.00 0.00 173.24 174.85 3ktg h ALA 176 N -0.34 1.63 -0.28 5.32 0.00 -1.76 0.12 119.26 123.95 3ktg h ALA 176 Ca -0.45 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3ktg h ALA 176 Cb 1.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3ktg h ALA 176 CO 0.62 -0.07 0.01 0.93 0.00 0.00 0.00 179.25 180.74 3ktg h GLU 177 N 0.73 0.49 -0.39 0.00 3.07 -1.91 -1.74 114.58 114.83 3ktg h GLU 177 Ca 0.57 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 59.23 3ktg h GLU 177 Cb 0.90 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.74 3ktg h GLU 177 CO -0.39 0.63 0.01 0.93 -1.40 0.00 0.00 179.01 178.79 3ktg h GLU 178 N 0.28 0.61 -0.53 2.33 5.08 -1.45 -0.00 114.58 120.89 3ktg h GLU 178 Ca 0.08 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 3ktg h GLU 178 Cb 0.40 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3ktg h GLU 178 CO 0.01 0.62 -0.11 0.00 -1.00 0.00 0.00 179.01 178.53 3ktg h ALA 179 N 1.43 0.73 -0.32 3.43 0.00 -0.73 0.30 119.26 124.10 3ktg h ALA 179 Ca 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3ktg h ALA 179 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3ktg h ALA 179 CO 0.01 0.64 0.20 1.25 0.00 0.00 0.00 179.25 181.36 3ktg h LEU 180 N 0.88 0.37 -0.66 0.00 5.85 -0.65 -0.67 115.31 120.43 3ktg h LEU 180 Ca 0.14 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3ktg h LEU 180 Cb 0.68 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3ktg h LEU 180 CO 0.05 0.28 0.41 -0.08 -0.34 0.00 0.00 178.44 178.77 3ktg h GLU 181 N 0.42 0.88 0.00 1.25 4.57 -0.66 -1.99 114.58 119.05 3ktg h GLU 181 Ca 0.11 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3ktg h GLU 181 Cb -0.03 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.37 3ktg h GLU 181 CO -0.02 0.61 0.00 -0.92 -1.18 0.00 0.00 179.01 177.50 3ktg h TYR 182 N 0.89 0.00 0.00 0.92 3.20 -0.06 -3.46 116.97 118.46 3ktg h TYR 182 Ca 0.24 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3ktg h TYR 182 Cb -0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.21 3ktg h TYR 182 CO -0.02 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.91 3ktg n GLY 183 N -0.16 0.77 0.14 1.82 0.00 -0.59 -4.68 105.19 102.51 3ktg n GLY 183 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -8.76 0.99 3.38 -1.39 -3.38 115.31 106.15 3ktg h LEU 184 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 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 0.58 -0.65 0.27 0.09 0.00 0.00 178.44 178.72 3ktg s ILE 185 N -3.44 0.75 -0.22 1.22 -4.36 -1.22 -4.05 121.20 109.88 3ktg s ILE 185 Ca -0.00 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.48 3ktg s ILE 185 Cb 0.11 -2.27 -0.19 0.00 1.25 0.00 0.00 42.46 41.36 3ktg s ILE 185 CO 0.74 -0.35 -0.09 0.47 0.24 0.00 0.00 174.94 175.95 3ktg n ASP 186 N -0.33 1.32 -3.70 4.36 8.00 0.28 -4.56 116.55 121.92 3ktg n ASP 186 Ca -0.05 -0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.25 3ktg n ASP 186 Cb 0.64 0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 41.89 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 -2.47 0.83 -0.20 -1.24 2.20 -1.08 -5.02 119.74 112.76 3ktg s LYS 187 Ca -0.22 -0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 54.99 3ktg s LYS 187 Cb 0.07 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 3ktg s LYS 187 CO 0.65 -0.27 0.09 0.42 -0.36 0.00 0.00 175.35 175.88 3ktg s ILE 188 N -2.12 4.90 0.27 5.43 1.01 -1.26 -2.72 121.20 126.71 3ktg s ILE 188 Ca -0.08 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 3ktg s ILE 188 Cb -0.02 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3ktg s ILE 188 CO -0.00 0.43 0.48 -0.76 0.00 0.00 0.00 174.94 175.08 3ktg s LEU 189 N 0.62 4.13 0.00 2.97 1.43 0.29 -4.95 118.68 123.16 3ktg s LEU 189 Ca 0.05 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 3ktg s LEU 189 Cb -0.13 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.81 3ktg s LEU 189 CO 0.01 -0.16 0.00 0.35 0.23 0.00 0.00 176.35 176.78 3ktg n THR 190 N -1.11 0.00 -4.07 5.49 -2.24 -1.26 -3.35 114.28 107.74 3ktg n THR 190 Ca -0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.51 3ktg n THR 190 Cb 0.55 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.00 3.21 0.15 4.78 3.76 -1.26 -5.04 115.29 119.89 3ktg s HIS 191 Ca 0.00 -0.06 0.06 0.00 -0.15 0.00 0.00 55.06 54.91 3ktg s HIS 191 Cb 0.00 -1.47 -0.07 0.00 1.11 0.00 0.00 32.58 32.15 3ktg s HIS 191 CO 0.00 0.50 1.35 1.37 -0.85 0.00 0.00 174.74 177.12 3ktg h LEU 192 N 1.66 0.07 -3.50 0.89 -0.00 -2.02 -3.30 115.31 109.10 3ktg h LEU 192 Ca -0.49 -0.06 -0.19 0.00 -0.00 0.00 0.00 57.88 57.14 3ktg h LEU 192 Cb 1.23 -0.02 -0.11 0.00 -0.00 0.00 0.00 40.66 41.75 3ktg h LEU 192 CO 0.62 0.95 0.12 -1.84 -0.00 0.00 0.00 178.44 178.29 3ktg n GLU 193 N -3.50 2.57 -0.14 0.17 -0.00 -1.26 -4.35 120.64 114.13 3ktg n GLU 193 Ca -0.01 -3.06 0.06 0.00 -0.00 0.00 0.00 57.16 54.15 3ktg n GLU 193 Cb 0.86 -1.96 0.13 0.00 -0.00 0.00 0.00 31.44 30.47 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 -0.77 0.36 -1.74 -1.84 8.25 -1.24 -4.65 115.22 113.59 3ktg n HIS 194 Ca 0.36 -0.40 -0.13 0.00 -0.26 0.00 0.00 57.72 57.29 3ktg n HIS 194 Cb 1.17 -0.02 0.09 0.00 1.12 0.00 0.00 29.99 32.34 3ktg n HIS 194 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 3ktg n HIS 195 N 0.53 -3.74 0.79 4.41 -0.00 -1.26 -4.97 115.22 110.98 3ktg n HIS 195 Ca 0.10 -0.65 0.13 0.00 0.46 0.00 0.00 57.72 57.77 3ktg n HIS 195 Cb 0.39 -0.45 0.47 0.00 -0.12 0.00 0.00 29.99 30.29 3ktg n HIS 195 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 3ktg n HIS 196 N -2.63 0.49 0.70 1.57 1.44 -1.26 -3.25 115.22 112.28 3ktg n HIS 196 Ca 0.08 0.14 0.13 0.00 -2.01 0.00 0.00 57.72 56.06 3ktg n HIS 196 Cb 0.28 -0.72 0.43 0.00 0.12 0.00 0.00 29.99 30.10 3ktg n HIS 196 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 3ktg n HIS 197 N -1.91 0.72 -0.55 -1.40 -0.00 -1.26 -5.23 115.22 105.59 3ktg n HIS 197 Ca 0.06 0.21 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 3ktg n HIS 197 Cb 0.39 -0.83 0.00 0.00 -0.00 0.00 0.00 29.99 29.55 3ktg n HIS 197 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06