#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrk n ARG 12 N 0.00 0.62 -3.66 1.97 0.63 -1.26 -5.03 116.66 109.93 2wrk n ARG 12 Ca 0.00 0.24 -0.05 0.00 -0.92 0.00 0.00 57.85 57.12 2wrk n ARG 12 Cb 0.00 -1.84 -0.07 0.00 0.45 0.00 0.00 32.46 31.01 2wrk n ARG 12 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2wrk s GLN 13 N -2.28 0.50 0.07 -0.14 -0.21 -1.26 -5.04 119.66 111.29 2wrk s GLN 13 Ca 0.71 1.23 0.04 0.00 0.02 0.00 0.00 55.36 57.36 2wrk s GLN 13 Cb -0.44 0.51 -0.03 0.00 1.00 0.00 0.00 33.01 34.05 2wrk s GLN 13 CO 0.52 -0.20 -0.12 0.14 -2.12 0.00 0.00 175.29 173.51 2wrk s VAL 14 N 2.48 0.94 -2.33 1.09 -7.23 -1.26 -5.03 120.40 109.06 2wrk s VAL 14 Ca -0.06 -1.29 0.23 0.00 -1.81 0.00 0.00 61.98 59.06 2wrk s VAL 14 Cb -0.11 -0.99 0.09 0.00 0.56 0.00 0.00 36.38 35.94 2wrk s VAL 14 CO -0.17 -0.31 1.20 0.00 -0.31 0.00 0.00 175.10 175.51 2wrk n ALA 15 N 1.23 3.16 -3.72 1.32 0.00 -0.97 -4.21 120.51 117.31 2wrk n ALA 15 Ca -0.21 -0.63 -0.35 0.00 0.00 0.00 0.00 53.44 52.25 2wrk n ALA 15 Cb 0.55 -0.84 -0.13 0.00 0.00 0.00 0.00 19.45 19.03 2wrk n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wrk s SER 16 N -2.32 4.98 0.00 0.00 0.15 -1.26 -1.39 113.70 113.87 2wrk s SER 16 Ca 0.22 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 55.31 2wrk s SER 16 Cb 0.19 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 2wrk s SER 16 CO 0.48 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.18 2wrk n GLY 17 N 4.58 4.51 3.32 9.45 0.00 -0.78 -3.54 105.19 122.73 2wrk n GLY 17 Ca -0.09 -1.71 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 2wrk n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrk s ARG 18 N -1.20 1.25 -0.26 1.61 0.52 0.29 -1.41 118.95 119.76 2wrk s ARG 18 Ca 0.00 -1.20 0.02 0.00 -0.52 0.00 0.00 55.73 54.03 2wrk s ARG 18 Cb 0.00 -1.58 0.06 0.00 0.52 0.00 0.00 34.95 33.96 2wrk s ARG 18 CO 0.00 0.37 -0.08 0.00 0.02 0.00 0.00 175.30 175.61 2wrk s ALA 19 N -1.09 2.43 -0.21 2.13 0.00 0.31 -0.31 121.76 125.02 2wrk s ALA 19 Ca 0.09 -1.71 -0.17 0.00 0.00 0.00 0.00 51.96 50.17 2wrk s ALA 19 Cb -0.10 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 2wrk s ALA 19 CO 0.04 -1.23 0.46 0.71 0.00 0.00 0.00 175.76 175.74 2wrk s TYR 20 N 1.17 3.36 -0.22 0.00 1.51 0.41 -1.67 117.35 121.91 2wrk s TYR 20 Ca -0.07 0.67 -0.06 0.00 -1.01 0.00 0.00 57.07 56.60 2wrk s TYR 20 Cb -0.20 -2.60 -0.03 0.00 -0.11 0.00 0.00 41.96 39.02 2wrk s TYR 20 CO -0.06 -0.08 0.03 0.42 -1.11 0.00 0.00 175.55 174.76 2wrk s ILE 21 N 1.55 4.21 -0.59 2.71 1.09 0.15 -1.89 121.20 128.43 2wrk s ILE 21 Ca 0.21 -0.22 0.04 0.00 -1.10 0.00 0.00 60.65 59.58 2wrk s ILE 21 Cb -0.15 -2.93 0.15 0.00 -1.06 0.00 0.00 42.46 38.47 2wrk s ILE 21 CO 0.09 0.40 0.36 -2.28 -0.10 0.00 0.00 174.94 173.41 2wrk s HIS 22 N 1.13 3.10 -0.30 3.97 2.46 -0.12 0.22 115.29 125.76 2wrk s HIS 22 Ca 0.03 -3.12 -0.17 0.00 0.47 0.00 0.00 55.06 52.28 2wrk s HIS 22 Cb -0.14 -2.56 -0.02 0.00 -0.13 0.00 0.00 32.58 29.73 2wrk s HIS 22 CO 0.02 -0.66 0.46 0.00 -2.47 0.00 0.00 174.74 172.09 2wrk s ALA 23 N -0.71 3.54 0.00 1.58 0.00 -0.98 -2.50 121.76 122.68 2wrk s ALA 23 Ca 0.21 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2wrk s ALA 23 Cb -0.15 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2wrk s ALA 23 CO -0.08 -0.90 0.00 -1.13 0.00 0.00 0.00 175.76 173.65 2wrk n SER 24 N 5.53 1.18 0.02 0.00 3.41 -0.31 -1.62 113.62 121.83 2wrk n SER 24 Ca -0.06 -0.80 0.12 0.00 -0.26 0.00 0.00 58.87 57.87 2wrk n SER 24 Cb 0.50 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.73 2wrk n SER 24 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2wrk n TYR 25 N -0.33 0.16 -0.01 7.33 4.02 -1.26 -3.59 117.16 123.48 2wrk n TYR 25 Ca 0.00 0.05 0.02 0.00 -0.01 0.00 0.00 57.90 57.95 2wrk n TYR 25 Cb 0.00 -0.40 0.04 0.00 -0.02 0.00 0.00 39.34 38.95 2wrk n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wrk n ASN 26 N -1.68 2.03 0.00 7.72 3.02 -1.26 -4.85 115.26 120.24 2wrk n ASN 26 Ca 0.05 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.80 2wrk n ASN 26 Cb 0.37 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2wrk n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wrk n ASN 27 N -0.13 0.00 -4.52 6.41 5.15 -1.25 -3.90 115.26 117.01 2wrk n ASN 27 Ca 0.03 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.68 2wrk n ASN 27 Cb 0.25 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.38 2wrk n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wrk s THR 28 N -1.65 3.41 -0.12 -0.44 2.01 -1.24 -1.16 115.64 116.45 2wrk s THR 28 Ca 0.00 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 2wrk s THR 28 Cb 0.00 -2.38 0.05 0.00 0.01 0.00 0.00 72.50 70.18 2wrk s THR 28 CO 0.00 0.59 0.28 -0.51 -0.69 0.00 0.00 174.62 174.29 2wrk s ILE 29 N -0.64 -0.13 -0.16 1.82 2.07 -1.04 -1.15 121.20 121.97 2wrk s ILE 29 Ca 0.10 0.16 0.01 0.00 -1.41 0.00 0.00 60.65 59.51 2wrk s ILE 29 Cb -0.11 -0.44 0.01 0.00 0.13 0.00 0.00 42.46 42.05 2wrk s ILE 29 CO 0.01 0.07 -0.20 0.68 -1.91 0.00 0.00 174.94 173.59 2wrk s VAL 30 N 1.55 2.17 -0.13 4.00 -7.23 -0.32 -0.94 120.40 119.49 2wrk s VAL 30 Ca -0.07 -0.92 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 2wrk s VAL 30 Cb -0.10 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 2wrk s VAL 30 CO -0.09 0.54 -0.12 0.28 -0.31 0.00 0.00 175.10 175.40 2wrk s THR 31 N 1.06 3.16 -0.22 5.32 -1.32 -0.79 -1.18 115.64 121.66 2wrk s THR 31 Ca -0.01 -0.62 -0.06 0.00 -1.21 0.00 0.00 61.69 59.79 2wrk s THR 31 Cb -0.14 -2.34 -0.03 0.00 -1.51 0.00 0.00 72.50 68.48 2wrk s THR 31 CO -0.07 0.52 0.03 -0.63 -2.21 0.00 0.00 174.62 172.26 2wrk s ILE 32 N 0.37 4.08 0.37 5.08 1.01 -0.68 -0.45 121.20 130.98 2wrk s ILE 32 Ca -0.10 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.34 2wrk s ILE 32 Cb -0.16 -2.87 -0.07 0.00 0.01 0.00 0.00 42.46 39.37 2wrk s ILE 32 CO 0.05 0.39 0.04 0.42 0.00 0.00 0.00 174.94 175.84 2wrk s THR 33 N 1.28 1.51 0.00 2.92 -4.23 0.57 -0.41 115.64 117.28 2wrk s THR 33 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 2wrk s THR 33 Cb -0.15 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2wrk s THR 33 CO 0.02 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.20 2wrk n ASP 34 N -0.83 -0.50 0.19 3.99 3.85 -0.09 0.11 116.55 123.26 2wrk n ASP 34 Ca -0.04 -0.30 0.14 0.00 -0.71 0.00 0.00 54.79 53.88 2wrk n ASP 34 Cb 0.67 0.00 0.51 0.00 -1.35 0.00 0.00 41.12 40.95 2wrk n ASP 34 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 2wrk h PRO 35 N 0.00 0.00 -0.26 0.11 0.11 -1.89 -3.10 132.00 126.97 2wrk h PRO 35 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wrk h PRO 35 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wrk h PRO 35 CO 0.00 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.54 2wrk n ASP 36 N -2.63 3.27 0.00 -2.05 10.43 -1.26 -4.94 116.55 119.37 2wrk n ASP 36 Ca 0.02 -1.99 0.00 0.00 2.57 0.00 0.00 54.79 55.39 2wrk n ASP 36 Cb 0.32 -0.16 0.00 0.00 1.84 0.00 0.00 41.12 43.12 2wrk n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wrk n GLY 37 N 1.45 0.75 3.65 0.44 0.00 -1.17 -5.04 105.19 105.27 2wrk n GLY 37 Ca 0.18 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2wrk n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wrk s ASN 38 N -2.06 6.59 0.33 1.61 0.01 -1.26 -4.83 114.94 115.33 2wrk s ASN 38 Ca 0.00 0.71 -0.27 0.00 -0.71 0.00 0.00 52.86 52.59 2wrk s ASN 38 Cb 0.00 -2.31 -0.13 0.00 0.41 0.00 0.00 41.25 39.22 2wrk s ASN 38 CO 0.00 -0.24 1.04 -2.65 -1.51 0.00 0.00 177.10 173.74 2wrk n PRO 39 N 5.02 1.45 -0.05 -0.60 -0.02 -1.26 -0.91 135.00 138.63 2wrk n PRO 39 Ca -0.03 0.51 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 2wrk n PRO 39 Cb 0.50 -1.95 -0.04 0.00 -0.02 0.00 0.00 33.50 31.99 2wrk n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wrk n ILE 40 N 0.05 0.57 -3.64 4.25 2.08 0.45 -4.80 119.36 118.31 2wrk n ILE 40 Ca 0.09 -0.15 -0.07 0.00 0.56 0.00 0.00 62.75 63.18 2wrk n ILE 40 Cb 0.34 -1.57 -0.07 0.00 -0.75 0.00 0.00 39.64 37.60 2wrk n ILE 40 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2wrk s THR 41 N -2.19 0.00 0.37 1.39 -1.32 -1.05 -5.06 115.64 107.79 2wrk s THR 41 Ca -0.14 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.40 2wrk s THR 41 Cb 0.05 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.97 2wrk s THR 41 CO 0.19 0.00 0.01 -1.66 -2.21 0.00 0.00 174.62 170.94 2wrk s TRP 42 N 0.63 2.33 0.08 9.09 1.48 -1.26 -1.69 118.94 129.60 2wrk s TRP 42 Ca -0.01 -0.73 -0.26 0.00 -1.06 0.00 0.00 56.10 54.05 2wrk s TRP 42 Cb -0.05 -1.57 0.08 0.00 -1.16 0.00 0.00 33.47 30.78 2wrk s TRP 42 CO -0.10 0.34 0.71 0.45 -4.06 0.00 0.00 176.95 174.29 2wrk s SER 43 N -3.63 -0.51 0.25 -2.66 0.15 -0.33 -4.87 113.70 102.11 2wrk s SER 43 Ca 0.35 0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.85 2wrk s SER 43 Cb 0.08 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.95 2wrk s SER 43 CO 0.17 -0.82 0.69 -0.94 1.20 0.00 0.00 173.24 173.54 2wrk s SER 44 N -2.50 -0.33 0.47 5.45 1.04 -1.26 -1.17 113.70 115.39 2wrk s SER 44 Ca 0.01 -0.48 0.33 0.00 0.48 0.00 0.00 55.95 56.30 2wrk s SER 44 Cb -0.01 0.70 1.46 0.00 0.10 0.00 0.00 66.02 68.27 2wrk s SER 44 CO -0.10 -1.26 1.65 1.23 0.98 0.00 0.00 173.24 175.74 2wrk h GLY 45 N 2.01 0.93 1.76 7.32 0.00 -1.39 0.44 103.07 114.14 2wrk h GLY 45 Ca -0.23 -0.09 -0.22 0.00 0.00 0.00 0.00 47.33 46.79 2wrk h GLY 45 CO 0.27 -0.26 -1.00 -1.33 0.00 0.00 0.00 176.54 174.21 2wrk h GLY 46 N 0.09 0.23 0.70 4.60 0.00 -1.84 -3.26 103.07 103.59 2wrk h GLY 46 Ca 0.79 -0.47 0.09 0.00 0.00 0.00 0.00 47.33 47.74 2wrk h GLY 46 CO -0.29 0.42 0.59 -2.08 0.00 0.00 0.00 176.54 175.17 2wrk h VAL 47 N 0.09 0.98 -3.67 4.60 2.07 -0.39 -3.41 116.25 116.53 2wrk h VAL 47 Ca -0.07 -0.32 -0.45 0.00 0.82 0.00 0.00 66.70 66.68 2wrk h VAL 47 Cb 1.68 -0.04 0.14 0.00 -1.52 0.00 0.00 31.29 31.54 2wrk h VAL 47 CO 0.15 0.17 0.34 -0.63 0.02 0.00 0.00 177.57 177.63 2wrk s ILE 48 N -5.86 2.05 0.19 4.57 -1.09 -1.17 -4.96 121.20 114.92 2wrk s ILE 48 Ca -0.11 -0.14 -0.23 0.00 -2.23 0.00 0.00 60.65 57.93 2wrk s ILE 48 Cb 0.21 -2.90 0.09 0.00 -1.58 0.00 0.00 42.46 38.27 2wrk s ILE 48 CO 0.80 0.00 1.51 0.61 -1.23 0.00 0.00 174.94 176.63 2wrk n GLY 49 N -3.47 -2.27 3.13 6.18 0.00 -1.26 -4.76 105.19 102.75 2wrk n GLY 49 Ca 0.14 1.13 -0.48 0.00 0.00 0.00 0.00 46.02 46.80 2wrk n GLY 49 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wrk n TYR 50 N -5.33 0.06 -3.85 1.61 0.53 -1.26 -5.00 117.16 103.92 2wrk n TYR 50 Ca 0.06 0.92 -0.12 0.00 -1.02 0.00 0.00 57.90 57.74 2wrk n TYR 50 Cb 0.32 -1.84 -0.13 0.00 -1.03 0.00 0.00 39.34 36.67 2wrk n TYR 50 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 2wrk s LYS 51 N -0.46 0.17 3.51 -0.72 2.20 -1.26 -4.24 119.74 118.94 2wrk s LYS 51 Ca 0.70 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 2wrk s LYS 51 Cb -1.00 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 35.40 2wrk s LYS 51 CO 0.51 -0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 2wrk n GLY 52 N 2.77 0.57 0.24 5.54 0.00 -1.26 -4.03 105.19 109.02 2wrk n GLY 52 Ca -0.14 -1.00 0.13 0.00 0.00 0.00 0.00 46.02 45.01 2wrk n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wrk h SER 53 N 0.79 0.00 1.49 1.61 4.64 -1.99 -3.05 113.55 117.04 2wrk h SER 53 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2wrk h SER 53 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2wrk h SER 53 CO 0.00 0.11 -0.53 0.03 -0.87 0.00 0.00 176.83 175.57 2wrk h ARG 54 N 0.00 0.00 0.00 4.77 3.08 -1.94 -3.25 114.38 117.04 2wrk h ARG 54 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wrk h ARG 54 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2wrk h ARG 54 CO 0.01 0.33 0.18 1.63 -1.07 0.00 0.00 179.97 181.06 2wrk n LYS 55 N -3.12 0.03 -0.08 0.04 5.02 -1.15 -2.18 118.16 116.71 2wrk n LYS 55 Ca 0.01 0.42 -0.12 0.00 -2.02 0.00 0.00 58.31 56.60 2wrk n LYS 55 Cb 0.69 -1.79 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 2wrk n LYS 55 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2wrk h GLY 56 N 0.00 0.00 -1.24 0.72 0.00 -1.67 -3.30 103.07 97.58 2wrk h GLY 56 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2wrk h GLY 56 CO 0.00 0.00 -0.15 -0.37 0.00 0.00 0.00 176.54 176.02 2wrk n THR 57 N -4.55 0.46 -0.32 4.70 5.66 -0.93 -4.02 114.28 115.29 2wrk n THR 57 Ca -0.18 -0.13 0.05 0.00 -3.05 0.00 0.00 64.05 60.75 2wrk n THR 57 Cb 0.44 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.42 2wrk n THR 57 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2wrk h PRO 58 N 0.23 0.82 -0.53 1.09 0.13 -1.88 -1.67 132.00 130.18 2wrk h PRO 58 Ca -0.07 -0.05 0.09 0.00 -0.87 0.00 0.00 66.00 65.10 2wrk h PRO 58 Cb 0.36 -0.18 -0.10 0.00 0.13 0.00 0.00 31.00 31.21 2wrk h PRO 58 CO 0.14 0.54 -0.38 -0.92 -0.23 0.00 0.00 178.00 177.15 2wrk h TYR 59 N 0.84 -1.08 -0.12 1.56 3.20 -1.94 -1.57 116.97 117.86 2wrk h TYR 59 Ca 0.44 0.07 0.03 0.00 3.14 0.00 0.00 58.73 62.41 2wrk h TYR 59 Cb 0.44 0.55 -0.06 0.00 1.54 0.00 0.00 36.73 39.20 2wrk h TYR 59 CO -0.04 -0.40 -0.54 0.00 -1.64 0.00 0.00 178.16 175.53 2wrk h ALA 60 N 0.76 -0.90 -0.99 1.82 0.00 -1.60 -0.61 119.26 117.73 2wrk h ALA 60 Ca 0.19 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.28 2wrk h ALA 60 Cb 0.56 1.00 -0.19 0.00 0.00 0.00 0.00 17.79 19.17 2wrk h ALA 60 CO -0.65 -1.09 -0.09 0.00 0.00 0.00 0.00 179.25 177.42 2wrk h ALA 61 N -0.33 0.95 -0.56 0.00 0.00 -1.17 0.18 119.26 118.33 2wrk h ALA 61 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2wrk h ALA 61 Cb 0.68 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2wrk h ALA 61 CO -0.42 -0.49 0.00 0.94 0.00 0.00 0.00 179.25 179.27 2wrk n GLN 62 N -5.55 0.00 0.17 0.00 7.27 -0.25 0.12 117.38 119.14 2wrk n GLN 62 Ca 0.20 0.75 0.19 0.00 0.07 0.00 0.00 57.00 58.21 2wrk n GLN 62 Cb 0.65 -1.41 0.76 0.00 2.41 0.00 0.00 30.24 32.66 2wrk n GLN 62 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2wrk h LEU 63 N 0.00 0.00 0.00 1.69 3.38 -0.97 0.72 115.31 120.13 2wrk h LEU 63 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wrk h LEU 63 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wrk h LEU 63 CO 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.37 2wrk h ALA 64 N 1.44 0.91 0.04 1.53 0.00 0.19 -1.87 119.26 121.50 2wrk h ALA 64 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.70 2wrk h ALA 64 Cb 0.95 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 2wrk h ALA 64 CO -0.00 0.00 -2.00 0.00 0.00 0.00 0.00 179.25 177.24 2wrk n ALA 65 N -2.00 1.31 -0.02 0.00 0.00 0.24 -3.53 120.51 116.51 2wrk n ALA 65 Ca 0.04 -0.86 -0.16 0.00 0.00 0.00 0.00 53.44 52.47 2wrk n ALA 65 Cb 0.50 -0.60 -0.11 0.00 0.00 0.00 0.00 19.45 19.25 2wrk n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wrk h LEU 66 N 0.02 0.33 -0.92 0.00 3.38 -1.22 0.48 115.31 117.38 2wrk h LEU 66 Ca -0.41 -0.73 0.12 0.00 0.09 0.00 0.00 57.88 56.95 2wrk h LEU 66 Cb 2.05 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 42.61 2wrk h LEU 66 CO 0.05 1.02 0.55 -0.78 0.09 0.00 0.00 178.44 179.37 2wrk h ASP 67 N -0.32 0.78 0.80 -0.43 1.82 -1.52 0.60 116.42 118.14 2wrk h ASP 67 Ca -0.04 0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.62 2wrk h ASP 67 Cb 1.05 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.97 2wrk h ASP 67 CO 0.07 0.41 -0.42 0.00 -1.61 0.00 0.00 179.24 177.69 2wrk h ALA 68 N 1.52 -1.13 -0.03 -0.78 0.00 -1.57 -0.33 119.26 116.95 2wrk h ALA 68 Ca 0.46 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2wrk h ALA 68 Cb 0.49 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2wrk h ALA 68 CO -0.28 -1.14 -0.36 0.00 0.00 0.00 0.00 179.25 177.47 2wrk h ALA 69 N -0.94 -0.53 -0.29 0.00 0.00 0.19 0.04 119.26 117.72 2wrk h ALA 69 Ca -0.11 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2wrk h ALA 69 Cb 0.87 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 19.24 2wrk h ALA 69 CO 0.15 -0.88 -0.47 -0.22 0.00 0.00 0.00 179.25 177.84 2wrk h LYS 70 N -0.50 -0.36 -0.72 0.00 3.64 0.21 0.66 116.57 119.50 2wrk h LYS 70 Ca 0.06 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.61 2wrk h LYS 70 Cb 0.60 0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.36 2wrk h LYS 70 CO -0.31 -0.24 -0.20 0.87 -2.27 0.00 0.00 179.45 177.30 2wrk h LYS 71 N -0.37 -0.02 -0.23 1.90 1.57 -0.63 -1.23 116.57 117.56 2wrk h LYS 71 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2wrk h LYS 71 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2wrk h LYS 71 CO -0.47 -0.01 0.12 0.00 -0.57 0.00 0.00 179.45 178.51 2wrk h ALA 72 N 1.65 0.30 -0.93 3.86 0.00 0.90 -2.75 119.26 122.29 2wrk h ALA 72 Ca 0.34 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.25 2wrk h ALA 72 Cb 0.54 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2wrk h ALA 72 CO -0.75 -0.15 0.58 0.52 0.00 0.00 0.00 179.25 179.45 2wrk h MET 73 N 0.25 0.98 0.00 0.00 2.86 0.13 0.51 114.93 119.66 2wrk h MET 73 Ca 0.08 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2wrk h MET 73 Cb 0.10 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.54 2wrk h MET 73 CO -0.01 0.65 0.18 0.00 1.06 0.00 0.00 176.91 178.79 2wrk h ALA 74 N 1.46 1.17 -0.73 6.32 0.00 -0.99 1.02 119.26 127.51 2wrk h ALA 74 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2wrk h ALA 74 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wrk h ALA 74 CO -0.20 -0.17 0.00 0.66 0.00 0.00 0.00 179.25 179.54 2wrk n TYR 75 N -2.75 1.06 -1.50 0.00 4.02 0.16 -4.95 117.16 113.20 2wrk n TYR 75 Ca -0.02 -0.52 0.00 0.00 -0.01 0.00 0.00 57.90 57.35 2wrk n TYR 75 Cb 0.23 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 2wrk n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wrk n GLY 76 N 1.59 0.91 3.70 2.72 0.00 0.35 -4.10 105.19 110.36 2wrk n GLY 76 Ca 0.25 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 2wrk n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wrk s MET 77 N -3.02 2.49 0.37 1.61 0.00 -1.17 -2.30 119.30 117.28 2wrk s MET 77 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 55.69 54.39 2wrk s MET 77 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 34.83 32.54 2wrk s MET 77 CO 0.00 0.38 0.00 1.04 0.00 0.00 0.00 175.02 176.44 2wrk n GLN 78 N -0.98 0.00 -4.74 4.11 6.02 -0.48 -4.68 117.38 116.63 2wrk n GLN 78 Ca -0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.59 2wrk n GLN 78 Cb 0.59 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.72 2wrk n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2wrk s SER 79 N -3.53 4.29 0.01 1.08 1.04 -1.07 0.32 113.70 115.84 2wrk s SER 79 Ca 0.00 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.28 2wrk s SER 79 Cb 0.00 -1.21 -0.01 0.00 0.10 0.00 0.00 66.02 64.90 2wrk s SER 79 CO 0.00 0.29 -0.05 0.68 0.98 0.00 0.00 173.24 175.15 2wrk s VAL 80 N -0.41 0.34 -0.16 5.02 -7.23 0.46 -1.86 120.40 116.56 2wrk s VAL 80 Ca 0.05 -0.47 -0.15 0.00 -1.81 0.00 0.00 61.98 59.60 2wrk s VAL 80 Cb -0.12 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.43 2wrk s VAL 80 CO 0.02 -0.09 0.33 -1.81 -0.31 0.00 0.00 175.10 173.24 2wrk s ASP 81 N -0.61 6.46 -0.01 4.85 1.11 -0.50 -1.75 116.67 126.22 2wrk s ASP 81 Ca -0.03 0.54 -0.16 0.00 0.18 0.00 0.00 52.55 53.09 2wrk s ASP 81 Cb -0.04 -2.20 -0.06 0.00 1.07 0.00 0.00 42.92 41.69 2wrk s ASP 81 CO -0.00 0.06 0.43 -0.69 1.18 0.00 0.00 175.17 176.15 2wrk s VAL 82 N 0.62 5.02 -0.07 -1.27 1.01 0.29 -0.53 120.40 125.48 2wrk s VAL 82 Ca 0.18 0.89 -0.01 0.00 0.00 0.00 0.00 61.98 63.03 2wrk s VAL 82 Cb -0.13 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.53 2wrk s VAL 82 CO 0.05 0.54 0.00 -0.63 0.00 0.00 0.00 175.10 175.07 2wrk s ILE 83 N -0.84 0.37 -0.06 2.22 1.01 -0.67 -1.20 121.20 122.03 2wrk s ILE 83 Ca 0.24 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.02 2wrk s ILE 83 Cb -0.17 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2wrk s ILE 83 CO 0.13 0.26 -0.04 0.68 0.00 0.00 0.00 174.94 175.97 2wrk s VAL 84 N 1.93 3.96 -0.24 2.92 -7.23 0.13 0.32 120.40 122.19 2wrk s VAL 84 Ca 0.04 -0.43 -0.04 0.00 -1.81 0.00 0.00 61.98 59.74 2wrk s VAL 84 Cb -0.12 -2.66 0.08 0.00 0.56 0.00 0.00 36.38 34.24 2wrk s VAL 84 CO -0.05 0.57 0.11 -0.13 -0.31 0.00 0.00 175.10 175.29 2wrk s ARG 85 N -0.95 0.15 0.00 4.82 0.52 0.13 -0.81 118.95 122.82 2wrk s ARG 85 Ca 0.14 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 2wrk s ARG 85 Cb -0.11 -1.47 0.00 0.00 0.52 0.00 0.00 34.95 33.89 2wrk s ARG 85 CO 0.03 -0.87 0.00 0.41 0.02 0.00 0.00 175.30 174.89 2wrk n GLY 86 N 5.25 0.98 0.00 -3.53 0.00 -1.26 -2.33 105.19 104.31 2wrk n GLY 86 Ca -0.06 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2wrk n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wrk n THR 87 N -1.91 0.66 -0.82 2.61 -1.04 -0.87 -4.87 114.28 108.05 2wrk n THR 87 Ca 0.00 -0.68 -0.26 0.00 -2.04 0.00 0.00 64.05 61.07 2wrk n THR 87 Cb 0.00 0.68 0.00 0.00 -1.82 0.00 0.00 70.33 69.19 2wrk n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wrk n GLY 88 N -0.33 -1.90 0.00 3.41 0.00 -0.64 -4.82 105.19 100.90 2wrk n GLY 88 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2wrk n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrk n ALA 89 N -0.80 -0.31 -0.34 4.61 0.00 -1.25 -2.49 120.51 119.93 2wrk n ALA 89 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 2wrk n ALA 89 Cb 0.28 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 2wrk n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrk n GLY 90 N -0.83 1.70 0.15 0.00 0.00 -1.26 -4.01 105.19 100.94 2wrk n GLY 90 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.87 2wrk n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wrk h ARG 91 N 3.03 0.00 0.06 1.61 2.43 -1.81 -3.23 114.38 116.48 2wrk h ARG 91 Ca 0.03 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 2wrk h ARG 91 Cb 0.60 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2wrk h ARG 91 CO 0.11 0.38 -0.86 1.49 -1.51 0.00 0.00 179.97 179.57 2wrk h GLU 92 N 0.00 0.12 -0.96 0.20 4.57 -1.83 -3.32 114.58 113.36 2wrk h GLU 92 Ca -0.02 -0.21 0.24 0.00 -1.18 0.00 0.00 59.36 58.18 2wrk h GLU 92 Cb 1.33 0.08 -0.12 0.00 -0.16 0.00 0.00 28.75 29.88 2wrk h GLU 92 CO 0.05 1.10 0.51 1.96 -1.18 0.00 0.00 179.01 181.45 2wrk h GLN 93 N -0.68 0.48 0.00 1.92 1.08 -1.88 -0.19 115.11 115.84 2wrk h GLN 93 Ca -0.20 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2wrk h GLN 93 Cb 1.41 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 2wrk h GLN 93 CO -0.01 0.32 0.00 0.00 -0.95 0.00 0.00 178.83 178.19 2wrk n ALA 94 N -2.39 -0.15 -0.29 3.87 0.00 -1.22 -0.56 120.51 119.77 2wrk n ALA 94 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2wrk n ALA 94 Cb 0.71 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.47 2wrk n ALA 94 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wrk n ILE 95 N -2.43 0.00 -0.34 0.00 5.41 -0.21 -1.40 119.36 120.40 2wrk n ILE 95 Ca 0.00 1.36 0.14 0.00 1.00 0.00 0.00 62.75 65.24 2wrk n ILE 95 Cb 0.00 -1.97 0.27 0.00 -0.71 0.00 0.00 39.64 37.23 2wrk n ILE 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wrk n ARG 96 N -2.23 -0.08 -0.08 0.38 1.74 -0.48 0.76 116.66 116.68 2wrk n ARG 96 Ca 0.00 1.46 -0.08 0.00 -0.77 0.00 0.00 57.85 58.46 2wrk n ARG 96 Cb 0.00 -2.31 -0.01 0.00 -1.02 0.00 0.00 32.46 29.12 2wrk n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wrk h ALA 97 N 1.94 0.35 -0.96 7.54 0.00 -0.15 -1.86 119.26 126.13 2wrk h ALA 97 Ca 0.58 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.65 2wrk h ALA 97 Cb 1.17 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 2wrk h ALA 97 CO -0.92 -0.23 0.60 -0.07 0.00 0.00 0.00 179.25 178.63 2wrk h LEU 98 N 0.32 0.73 0.00 0.00 3.38 0.16 -2.91 115.31 116.98 2wrk h LEU 98 Ca 0.12 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2wrk h LEU 98 Cb 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2wrk h LEU 98 CO -0.07 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.79 2wrk n GLN 99 N -4.63 0.00 -1.56 1.13 6.02 -0.73 -3.52 117.38 114.10 2wrk n GLN 99 Ca 0.20 0.34 -0.39 0.00 -0.01 0.00 0.00 57.00 57.14 2wrk n GLN 99 Cb 0.50 -1.33 -0.05 0.00 1.02 0.00 0.00 30.24 30.38 2wrk n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wrk n ALA 100 N -1.51 2.99 -0.46 -1.58 0.00 -1.05 -3.59 120.51 115.31 2wrk n ALA 100 Ca 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 53.44 50.15 2wrk n ALA 100 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 15.87 2wrk n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wrk n SER 101 N 9.62 0.00 0.00 0.00 3.41 -1.22 -4.88 113.62 120.55 2wrk n SER 101 Ca 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 2wrk n SER 101 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2wrk n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrk n GLY 102 N 0.00 1.11 3.81 5.00 0.00 -1.24 -4.93 105.19 108.94 2wrk n GLY 102 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2wrk n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrk s LEU 103 N 0.00 3.78 -0.33 0.99 2.01 -1.26 -4.97 118.68 118.91 2wrk s LEU 103 Ca 0.00 1.79 -0.09 0.00 0.01 0.00 0.00 54.13 55.85 2wrk s LEU 103 Cb 0.00 -4.54 0.01 0.00 0.01 0.00 0.00 46.19 41.67 2wrk s LEU 103 CO 0.00 -0.70 0.14 -1.58 1.01 0.00 0.00 176.35 175.22 2wrk s GLN 104 N -3.48 3.01 -0.61 1.70 0.74 0.15 -4.76 119.66 116.41 2wrk s GLN 104 Ca 0.64 -0.93 -0.25 0.00 0.05 0.00 0.00 55.36 54.87 2wrk s GLN 104 Cb -0.13 -3.54 0.04 0.00 1.10 0.00 0.00 33.01 30.48 2wrk s GLN 104 CO 0.23 -0.54 1.04 0.14 -0.55 0.00 0.00 175.29 175.60 2wrk s VAL 105 N 1.53 4.20 0.10 1.34 -7.23 -1.26 -0.40 120.40 118.68 2wrk s VAL 105 Ca 0.02 0.25 0.21 0.00 -1.81 0.00 0.00 61.98 60.65 2wrk s VAL 105 Cb -0.18 -4.67 0.18 0.00 0.56 0.00 0.00 36.38 32.28 2wrk s VAL 105 CO 0.05 -1.36 1.74 0.11 -0.31 0.00 0.00 175.10 175.34 2wrk h LYS 106 N 9.53 0.00 -1.09 4.82 1.57 -1.72 -3.47 116.57 126.22 2wrk h LYS 106 Ca -0.27 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.71 2wrk h LYS 106 Cb 1.07 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.05 2wrk h LYS 106 CO 1.16 0.30 0.81 -1.54 -0.57 0.00 0.00 179.45 179.61 2wrk s SER 107 N -6.30 -0.07 -0.11 0.86 1.04 -1.26 -5.00 113.70 102.85 2wrk s SER 107 Ca 0.01 0.13 -0.06 0.00 0.48 0.00 0.00 55.95 56.51 2wrk s SER 107 Cb 0.10 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 2wrk s SER 107 CO 0.67 -0.02 0.10 -0.63 0.98 0.00 0.00 173.24 174.34 2wrk s ILE 108 N 0.46 5.18 -0.06 -1.02 1.09 -1.25 0.10 121.20 125.70 2wrk s ILE 108 Ca 0.01 0.08 -0.02 0.00 -1.10 0.00 0.00 60.65 59.62 2wrk s ILE 108 Cb -0.04 -3.24 0.04 0.00 -1.06 0.00 0.00 42.46 38.16 2wrk s ILE 108 CO -0.13 0.61 0.13 -0.69 -0.10 0.00 0.00 174.94 174.76 2wrk s VAL 109 N -0.95 -0.05 -0.57 2.92 1.01 -0.34 -4.96 120.40 117.47 2wrk s VAL 109 Ca 0.14 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 2wrk s VAL 109 Cb -0.12 -0.21 0.07 0.00 0.00 0.00 0.00 36.38 36.12 2wrk s VAL 109 CO 0.03 0.07 0.77 -0.62 0.00 0.00 0.00 175.10 175.36 2wrk s ASP 110 N 1.10 6.22 -0.71 3.32 2.15 -1.26 0.19 116.67 127.69 2wrk s ASP 110 Ca -0.09 -0.99 0.03 0.00 0.43 0.00 0.00 52.55 51.94 2wrk s ASP 110 Cb -0.11 -2.34 0.34 0.00 -0.30 0.00 0.00 42.92 40.50 2wrk s ASP 110 CO -0.05 -1.13 1.22 -0.67 -0.17 0.00 0.00 175.17 174.37 2wrk n ASP 111 N 6.75 5.36 -4.72 -0.34 4.64 0.00 -4.96 116.55 123.28 2wrk n ASP 111 Ca -0.06 -3.69 -0.41 0.00 -1.38 0.00 0.00 54.79 49.25 2wrk n ASP 111 Cb 0.45 -0.74 -0.04 0.00 -1.04 0.00 0.00 41.12 39.75 2wrk n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 2wrk s THR 112 N -4.47 4.73 -0.31 5.18 2.01 -1.25 -4.64 115.64 116.88 2wrk s THR 112 Ca 0.46 2.02 -0.29 0.00 0.31 0.00 0.00 61.69 64.19 2wrk s THR 112 Cb 0.26 -4.30 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 2wrk s THR 112 CO -0.14 0.23 1.37 -2.16 -0.69 0.00 0.00 174.62 173.24 2wrk s PRO 113 N 0.56 3.83 -0.09 4.92 0.04 -1.26 -4.99 135.00 138.00 2wrk s PRO 113 Ca 0.49 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.80 2wrk s PRO 113 Cb -0.22 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.41 2wrk s PRO 113 CO 0.28 -1.24 -0.13 0.54 0.04 0.00 0.00 177.00 176.50 2wrk s VAL 114 N 4.72 1.26 0.48 -0.36 0.11 -1.26 -5.12 120.40 120.23 2wrk s VAL 114 Ca 0.60 -0.51 -0.15 0.00 -2.93 0.00 0.00 61.98 58.98 2wrk s VAL 114 Cb -0.17 -1.17 -0.08 0.00 -1.53 0.00 0.00 36.38 33.42 2wrk s VAL 114 CO 0.26 0.39 0.93 -2.16 -3.33 0.00 0.00 175.10 171.19 2wrk s PRO 115 N 1.00 3.93 -0.45 1.54 0.04 -1.26 -4.93 135.00 134.87 2wrk s PRO 115 Ca -0.08 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 61.78 2wrk s PRO 115 Cb -0.15 -2.20 0.07 0.00 0.04 0.00 0.00 34.50 32.26 2wrk s PRO 115 CO -0.01 -0.19 2.74 0.72 0.04 0.00 0.00 177.00 180.30 2wrk n HIS 116 N -1.42 1.61 -1.80 0.56 8.25 -1.26 -4.64 115.22 116.53 2wrk n HIS 116 Ca 0.06 -1.95 -0.02 0.00 -0.26 0.00 0.00 57.72 55.55 2wrk n HIS 116 Cb 0.54 -1.36 0.00 0.00 1.12 0.00 0.00 29.99 30.29 2wrk n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wrk n ASN 117 N 0.83 -3.29 0.00 0.41 5.03 -1.26 -5.10 115.26 111.88 2wrk n ASN 117 Ca 0.48 0.11 0.00 0.00 0.87 0.00 0.00 54.58 56.04 2wrk n ASN 117 Cb 0.55 -1.96 0.00 0.00 -1.02 0.00 0.00 39.78 37.35 2wrk n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wrk n GLY 118 N -0.50 0.51 3.97 7.41 0.00 -1.26 -5.06 105.19 110.25 2wrk n GLY 118 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2wrk n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrk s ARG 120 N -4.77 4.55 0.71 0.00 3.52 -1.26 -5.06 118.95 116.64 2wrk s ARG 120 Ca 0.56 1.19 -0.09 0.00 -0.13 0.00 0.00 55.73 57.26 2wrk s ARG 120 Cb -0.10 -3.10 0.05 0.00 -1.56 0.00 0.00 34.95 30.24 2wrk s ARG 120 CO 0.39 0.47 1.05 -2.14 -0.81 0.00 0.00 175.30 174.26 2wrk s PRO 121 N -1.49 2.37 -0.28 5.12 0.02 -1.26 -5.01 135.00 134.47 2wrk s PRO 121 Ca 0.41 -0.01 -0.29 0.00 0.02 0.00 0.00 61.00 61.13 2wrk s PRO 121 Cb -0.21 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.20 2wrk s PRO 121 CO 0.26 -1.20 1.20 0.15 -0.33 0.00 0.00 177.00 177.08 2wrk s LYS 122 N -5.30 4.04 0.00 5.54 1.02 -1.26 -4.68 119.74 119.09 2wrk s LYS 122 Ca 0.59 1.26 0.00 0.00 0.02 0.00 0.00 55.97 57.84 2wrk s LYS 122 Cb -0.11 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.40 2wrk s LYS 122 CO 0.47 -0.95 0.00 1.17 -0.92 0.00 0.00 175.35 175.12 2wrk n LYS 123 N 7.00 0.00 -0.18 1.68 4.81 -1.26 0.57 118.16 130.78 2wrk n LYS 123 Ca 0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.53 2wrk n LYS 123 Cb 0.46 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.53 2wrk n LYS 123 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2wrk h LYS 124 N 0.00 -0.14 0.00 1.64 3.64 -2.02 -0.65 116.57 119.04 2wrk h LYS 124 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2wrk h LYS 124 Cb 0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2wrk h LYS 124 CO 0.00 -0.09 -0.62 0.74 -2.27 0.00 0.00 179.45 177.21 2wrk h PHE 125 N -0.15 0.00 -0.01 1.91 -1.00 -0.23 -3.34 116.94 114.13 2wrk h PHE 125 Ca 0.23 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.82 2wrk h PHE 125 Cb 0.53 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 2wrk h PHE 125 CO -0.58 0.00 -0.86 -0.09 -1.61 0.00 0.00 178.31 175.17 2wrk h ARG 126 N 0.00 0.25 0.00 1.51 2.43 -1.13 -3.40 114.38 114.03 2wrk h ARG 126 Ca 0.00 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2wrk h ARG 126 Cb 0.91 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2wrk h ARG 126 CO 0.00 0.97 0.00 1.63 -1.51 0.00 0.00 179.97 181.06 2wrk n LYS 127 N -3.70 0.00 -3.06 0.20 4.76 -0.35 -3.90 118.16 112.11 2wrk n LYS 127 Ca -0.04 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.00 2wrk n LYS 127 Cb 0.79 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.93 2wrk n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wrk s ALA 128 N -0.19 3.47 -2.80 7.82 0.00 -1.26 -5.16 121.76 123.65 2wrk s ALA 128 Ca 0.00 -0.08 0.26 0.00 0.00 0.00 0.00 51.96 52.14 2wrk s ALA 128 Cb 0.00 -3.00 0.54 0.00 0.00 0.00 0.00 23.12 20.66 2wrk s ALA 128 CO 0.00 -0.41 1.46 0.45 0.00 0.00 0.00 175.76 177.26