#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrq n ARG 12 N 0.00 1.25 -3.97 1.97 0.63 -1.26 -5.02 116.66 110.26 2wrq n ARG 12 Ca 0.00 0.47 -0.26 0.00 -0.92 0.00 0.00 57.85 57.14 2wrq n ARG 12 Cb 0.00 -2.28 -0.17 0.00 0.45 0.00 0.00 32.46 30.46 2wrq n ARG 12 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2wrq s GLN 13 N -2.65 1.43 -0.34 -0.14 -0.21 -1.26 -4.91 119.66 111.58 2wrq s GLN 13 Ca 0.72 -0.23 0.03 0.00 0.02 0.00 0.00 55.36 55.90 2wrq s GLN 13 Cb -0.45 -1.48 0.10 0.00 1.00 0.00 0.00 33.01 32.18 2wrq s GLN 13 CO 0.50 -0.23 0.07 0.14 -2.12 0.00 0.00 175.29 173.65 2wrq s VAL 14 N 1.60 1.89 -0.47 1.09 -7.23 -1.06 -4.95 120.40 111.26 2wrq s VAL 14 Ca 0.02 -2.13 0.09 0.00 -1.81 0.00 0.00 61.98 58.16 2wrq s VAL 14 Cb -0.13 -2.40 0.09 0.00 0.56 0.00 0.00 36.38 34.50 2wrq s VAL 14 CO -0.06 -0.63 1.21 0.00 -0.31 0.00 0.00 175.10 175.30 2wrq n ALA 15 N 4.36 0.85 -2.61 1.32 0.00 -0.40 -4.20 120.51 119.83 2wrq n ALA 15 Ca 0.02 0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.17 2wrq n ALA 15 Cb 0.42 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 2wrq n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wrq s SER 16 N -3.29 6.10 0.00 0.00 0.15 -1.26 0.45 113.70 115.85 2wrq s SER 16 Ca -0.01 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2wrq s SER 16 Cb 0.03 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2wrq s SER 16 CO 0.08 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2wrq n GLY 17 N 4.79 5.58 3.64 9.45 0.00 0.61 -4.18 105.19 125.09 2wrq n GLY 17 Ca -0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 46.02 44.41 2wrq n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wrq s ARG 18 N 1.60 0.38 -0.08 1.61 3.52 -0.90 -3.31 118.95 121.77 2wrq s ARG 18 Ca 0.00 0.61 0.03 0.00 -0.13 0.00 0.00 55.73 56.23 2wrq s ARG 18 Cb 0.00 0.11 0.01 0.00 -1.56 0.00 0.00 34.95 33.50 2wrq s ARG 18 CO 0.00 -0.07 -0.17 0.00 -0.81 0.00 0.00 175.30 174.25 2wrq s ALA 19 N 1.06 1.63 -0.07 6.12 0.00 -1.00 0.35 121.76 129.85 2wrq s ALA 19 Ca -0.06 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 2wrq s ALA 19 Cb -0.04 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2wrq s ALA 19 CO -0.13 0.14 0.14 0.71 0.00 0.00 0.00 175.76 176.62 2wrq s TYR 20 N 0.62 3.54 -0.22 0.00 1.51 0.10 -1.55 117.35 121.35 2wrq s TYR 20 Ca -0.15 0.43 0.01 0.00 -1.01 0.00 0.00 57.07 56.35 2wrq s TYR 20 Cb -0.16 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.86 2wrq s TYR 20 CO 0.05 0.68 -0.06 0.42 -1.11 0.00 0.00 175.55 175.53 2wrq s ILE 21 N -1.13 1.48 -1.01 2.71 1.09 0.54 -1.89 121.20 122.98 2wrq s ILE 21 Ca 0.20 -1.08 -0.04 0.00 -1.10 0.00 0.00 60.65 58.63 2wrq s ILE 21 Cb -0.12 -1.69 0.28 0.00 -1.06 0.00 0.00 42.46 39.87 2wrq s ILE 21 CO 0.10 -0.01 1.20 1.57 -0.10 0.00 0.00 174.94 177.69 2wrq n HIS 22 N 4.71 3.51 -2.68 3.97 -0.00 0.17 -0.21 115.22 124.69 2wrq n HIS 22 Ca -0.13 -3.35 -0.43 0.00 0.46 0.00 0.00 57.72 54.28 2wrq n HIS 22 Cb 0.45 -1.28 -0.02 0.00 -0.12 0.00 0.00 29.99 29.02 2wrq n HIS 22 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wrq s ALA 23 N -2.16 3.65 0.00 1.57 0.00 -1.12 -1.94 121.76 121.76 2wrq s ALA 23 Ca 0.32 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2wrq s ALA 23 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2wrq s ALA 23 CO 0.01 -1.12 0.00 -1.13 0.00 0.00 0.00 175.76 173.52 2wrq n SER 24 N 6.39 0.88 -0.08 0.00 3.41 0.19 -3.77 113.62 120.64 2wrq n SER 24 Ca 0.11 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.67 2wrq n SER 24 Cb 0.46 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.26 2wrq n SER 24 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2wrq n TYR 25 N 0.00 0.00 1.22 7.33 4.02 -1.26 -3.69 117.16 124.78 2wrq n TYR 25 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.02 2wrq n TYR 25 Cb 0.00 -0.87 0.28 0.00 -0.02 0.00 0.00 39.34 38.73 2wrq n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wrq n ASN 26 N -2.63 2.28 0.00 7.72 3.02 -1.26 -4.60 115.26 119.80 2wrq n ASN 26 Ca -0.26 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 2wrq n ASN 26 Cb 1.02 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 40.21 2wrq n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wrq n ASN 27 N 0.76 0.00 -4.00 6.41 5.15 -1.26 -2.68 115.26 119.64 2wrq n ASN 27 Ca 0.16 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.85 2wrq n ASN 27 Cb 0.49 0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.57 2wrq n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wrq s THR 28 N -2.00 1.48 -0.20 -0.44 2.01 -1.26 0.52 115.64 115.75 2wrq s THR 28 Ca 0.00 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.43 2wrq s THR 28 Cb 0.00 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.14 2wrq s THR 28 CO 0.00 0.44 -0.17 -0.51 -0.69 0.00 0.00 174.62 173.69 2wrq s ILE 29 N 1.48 2.21 -0.22 1.82 2.07 -0.82 -2.35 121.20 125.38 2wrq s ILE 29 Ca 0.04 -1.02 -0.05 0.00 -1.41 0.00 0.00 60.65 58.21 2wrq s ILE 29 Cb -0.13 -2.00 -0.01 0.00 0.13 0.00 0.00 42.46 40.45 2wrq s ILE 29 CO -0.09 0.43 -0.02 0.68 -1.91 0.00 0.00 174.94 174.03 2wrq s VAL 30 N 1.28 3.63 0.12 4.00 -7.23 -0.41 0.42 120.40 122.21 2wrq s VAL 30 Ca 0.03 -0.41 0.09 0.00 -1.81 0.00 0.00 61.98 59.88 2wrq s VAL 30 Cb -0.14 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 2wrq s VAL 30 CO -0.11 0.41 -0.19 0.28 -0.31 0.00 0.00 175.10 175.18 2wrq s THR 31 N 1.42 2.77 0.09 5.32 -1.32 -0.79 -0.10 115.64 123.03 2wrq s THR 31 Ca 0.05 -1.56 0.09 0.00 -1.21 0.00 0.00 61.69 59.05 2wrq s THR 31 Cb -0.14 -2.27 -0.03 0.00 -1.51 0.00 0.00 72.50 68.54 2wrq s THR 31 CO -0.01 0.08 -0.23 -0.63 -2.21 0.00 0.00 174.62 171.62 2wrq s ILE 32 N -1.18 1.90 0.29 5.08 1.01 -0.36 -0.72 121.20 127.22 2wrq s ILE 32 Ca 0.18 -1.49 0.04 0.00 0.00 0.00 0.00 60.65 59.38 2wrq s ILE 32 Cb -0.10 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 2wrq s ILE 32 CO 0.10 0.11 0.15 0.35 0.00 0.00 0.00 174.94 175.65 2wrq n THR 33 N 1.34 0.00 -3.18 2.92 -2.24 0.16 -1.40 114.28 111.87 2wrq n THR 33 Ca -0.18 -1.85 -0.20 0.00 -2.27 0.00 0.00 64.05 59.54 2wrq n THR 33 Cb 0.53 0.76 0.04 0.00 -2.10 0.00 0.00 70.33 69.57 2wrq n THR 33 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2wrq s ASP 34 N -2.89 5.08 0.00 3.42 3.84 -0.74 -2.11 116.67 123.27 2wrq s ASP 34 Ca 0.22 -0.87 0.00 0.00 -0.00 0.00 0.00 52.55 51.90 2wrq s ASP 34 Cb 0.01 0.20 0.00 0.00 -1.38 0.00 0.00 42.92 41.75 2wrq s ASP 34 CO 0.15 -1.23 0.00 -2.65 -0.00 0.00 0.00 175.17 171.44 2wrq n PRO 35 N -2.11 0.00 0.00 2.11 -0.02 -1.26 -1.30 135.00 132.42 2wrq n PRO 35 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2wrq n PRO 35 Cb 0.62 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 2wrq n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wrq n ASP 36 N 1.13 1.37 0.00 2.55 9.92 -1.26 -5.01 116.55 125.26 2wrq n ASP 36 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2wrq n ASP 36 Cb 0.00 0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 2wrq n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wrq n GLY 37 N 0.96 0.90 3.70 0.44 0.00 -0.42 -5.07 105.19 105.69 2wrq n GLY 37 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wrq n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wrq s ASN 38 N -2.05 7.09 0.92 1.61 0.02 -1.26 -4.85 114.94 116.42 2wrq s ASN 38 Ca 0.00 1.31 -0.15 0.00 -1.02 0.00 0.00 52.86 53.01 2wrq s ASN 38 Cb 0.00 -2.46 0.04 0.00 0.02 0.00 0.00 41.25 38.85 2wrq s ASN 38 CO 0.00 -0.22 -0.21 -2.65 0.02 0.00 0.00 177.10 174.04 2wrq n PRO 39 N 4.14 -1.20 0.00 -0.60 -0.02 -1.26 -1.79 135.00 134.28 2wrq n PRO 39 Ca 0.02 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.15 2wrq n PRO 39 Cb 0.51 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 2wrq n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wrq n ILE 40 N -3.92 0.00 -3.77 4.25 2.08 -0.49 -4.49 119.36 113.02 2wrq n ILE 40 Ca 0.02 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.19 2wrq n ILE 40 Cb 0.41 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 39.16 2wrq n ILE 40 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2wrq s THR 41 N -0.87 -0.04 0.08 1.39 -1.32 -1.24 -5.04 115.64 108.61 2wrq s THR 41 Ca 0.00 0.15 0.03 0.00 -1.21 0.00 0.00 61.69 60.66 2wrq s THR 41 Cb 0.00 -0.19 -0.03 0.00 -1.51 0.00 0.00 72.50 70.77 2wrq s THR 41 CO 0.00 0.06 -0.09 -1.66 -2.21 0.00 0.00 174.62 170.72 2wrq s TRP 42 N 0.93 0.97 0.09 9.09 1.48 -1.26 -1.22 118.94 129.01 2wrq s TRP 42 Ca -0.07 -0.65 -0.10 0.00 -1.06 0.00 0.00 56.10 54.22 2wrq s TRP 42 Cb -0.10 -0.54 0.01 0.00 -1.16 0.00 0.00 33.47 31.68 2wrq s TRP 42 CO -0.04 -0.03 0.24 0.45 -4.06 0.00 0.00 176.95 173.50 2wrq s SER 43 N -2.30 0.03 0.37 -2.66 0.15 0.86 -4.97 113.70 105.17 2wrq s SER 43 Ca 0.03 -0.55 -0.08 0.00 0.70 0.00 0.00 55.95 56.05 2wrq s SER 43 Cb -0.04 0.36 0.03 0.00 -1.71 0.00 0.00 66.02 64.66 2wrq s SER 43 CO -0.00 -0.74 0.61 -0.94 1.20 0.00 0.00 173.24 173.37 2wrq s SER 44 N -2.77 0.56 0.56 5.45 1.04 -1.26 -1.29 113.70 115.98 2wrq s SER 44 Ca 0.04 -1.35 0.24 0.00 0.48 0.00 0.00 55.95 55.35 2wrq s SER 44 Cb 0.04 0.75 1.54 0.00 0.10 0.00 0.00 66.02 68.45 2wrq s SER 44 CO -0.11 -1.48 2.16 1.23 0.98 0.00 0.00 173.24 176.03 2wrq h GLY 45 N 2.05 0.00 0.69 7.32 0.00 -1.72 -2.49 103.07 108.92 2wrq h GLY 45 Ca -0.30 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 2wrq h GLY 45 CO 0.39 0.00 -0.45 -1.33 0.00 0.00 0.00 176.54 175.15 2wrq h GLY 46 N 0.00 0.38 1.60 4.60 0.00 -1.88 -3.15 103.07 104.63 2wrq h GLY 46 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2wrq h GLY 46 CO -0.00 0.56 0.11 -0.62 0.00 0.00 0.00 176.54 176.59 2wrq n VAL 47 N -4.33 1.48 -3.50 4.60 0.31 -0.94 -4.45 118.33 111.52 2wrq n VAL 47 Ca -0.10 0.54 -0.19 0.00 -0.01 0.00 0.00 64.34 64.58 2wrq n VAL 47 Cb 0.59 -1.54 -0.01 0.00 -0.91 0.00 0.00 33.84 31.97 2wrq n VAL 47 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wrq s ILE 48 N -2.90 3.55 0.59 2.52 -1.09 -1.19 -4.96 121.20 117.72 2wrq s ILE 48 Ca -0.00 -1.15 0.34 0.00 -2.23 0.00 0.00 60.65 57.61 2wrq s ILE 48 Cb 0.01 -3.22 0.50 0.00 -1.58 0.00 0.00 42.46 38.17 2wrq s ILE 48 CO 0.02 -0.11 1.45 1.23 -1.23 0.00 0.00 174.94 176.30 2wrq h GLY 49 N 0.97 0.00 -4.66 6.18 0.00 -1.82 -3.42 103.07 100.31 2wrq h GLY 49 Ca -0.44 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.36 2wrq h GLY 49 CO 0.53 0.00 0.87 -0.19 0.00 0.00 0.00 176.54 177.76 2wrq s TYR 50 N -4.60 2.98 -0.02 5.60 1.51 -1.26 -5.02 117.35 116.54 2wrq s TYR 50 Ca -0.04 0.64 0.05 0.00 -1.01 0.00 0.00 57.07 56.71 2wrq s TYR 50 Cb 0.18 -3.88 -0.01 0.00 -0.11 0.00 0.00 41.96 38.14 2wrq s TYR 50 CO 0.62 -3.28 -0.16 0.21 -1.11 0.00 0.00 175.55 171.82 2wrq s LYS 51 N 1.42 1.37 5.50 -0.62 2.20 -1.26 -4.25 119.74 124.11 2wrq s LYS 51 Ca 0.70 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 2wrq s LYS 51 Cb -0.42 -1.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.62 2wrq s LYS 51 CO 0.31 0.30 0.00 0.41 -0.36 0.00 0.00 175.35 176.01 2wrq n GLY 52 N 2.85 1.61 0.13 5.54 0.00 -1.26 -4.12 105.19 109.94 2wrq n GLY 52 Ca -0.16 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 2wrq n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wrq h SER 53 N 0.00 0.64 0.21 1.61 4.64 -1.98 -3.31 113.55 115.37 2wrq h SER 53 Ca 0.00 -0.94 -0.00 0.00 -0.47 0.00 0.00 61.79 60.38 2wrq h SER 53 Cb 0.00 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 2wrq h SER 53 CO 0.00 1.55 -0.02 0.03 -0.87 0.00 0.00 176.83 177.53 2wrq h ARG 54 N -0.13 0.00 -0.51 4.77 3.08 -1.91 -2.50 114.38 117.19 2wrq h ARG 54 Ca -0.20 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.95 2wrq h ARG 54 Cb 1.90 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.85 2wrq h ARG 54 CO 0.21 0.02 -0.14 0.87 -1.07 0.00 0.00 179.97 179.86 2wrq h LYS 55 N 0.00 -0.01 0.00 0.04 1.57 -1.76 0.12 116.57 116.53 2wrq h LYS 55 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wrq h LYS 55 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2wrq h LYS 55 CO 0.00 -0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.28 2wrq n GLY 56 N -1.37 -0.30 3.48 3.86 0.00 -0.94 -4.19 105.19 105.72 2wrq n GLY 56 Ca 0.05 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2wrq n GLY 56 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wrq s THR 57 N -2.00 1.83 -0.06 2.61 -1.32 0.43 -4.52 115.64 112.61 2wrq s THR 57 Ca 0.14 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.57 2wrq s THR 57 Cb 0.06 -2.14 -0.27 0.00 -1.51 0.00 0.00 72.50 68.63 2wrq s THR 57 CO 0.11 0.00 0.62 1.55 -2.21 0.00 0.00 174.62 174.69 2wrq h PRO 58 N -2.72 0.26 0.31 7.08 0.13 -1.87 -2.59 132.00 132.61 2wrq h PRO 58 Ca -0.57 -0.45 -0.01 0.00 -0.87 0.00 0.00 66.00 64.10 2wrq h PRO 58 Cb 1.34 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.61 2wrq h PRO 58 CO 0.47 1.13 -0.41 -0.92 -0.23 0.00 0.00 178.00 178.04 2wrq h TYR 59 N 0.07 -1.15 -0.93 1.56 3.20 -1.93 0.20 116.97 117.98 2wrq h TYR 59 Ca -0.33 0.02 0.14 0.00 3.14 0.00 0.00 58.73 61.69 2wrq h TYR 59 Cb 2.05 0.46 -0.08 0.00 1.54 0.00 0.00 36.73 40.70 2wrq h TYR 59 CO 0.07 -0.52 0.60 0.00 -1.64 0.00 0.00 178.16 176.67 2wrq h ALA 60 N -0.99 1.71 -0.12 1.82 0.00 -1.84 0.14 119.26 119.99 2wrq h ALA 60 Ca -0.04 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2wrq h ALA 60 Cb 0.67 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2wrq h ALA 60 CO -0.10 0.04 -0.19 0.00 0.00 0.00 0.00 179.25 178.99 2wrq h ALA 61 N 1.58 -0.14 -2.18 0.00 0.00 -0.92 -3.01 119.26 114.58 2wrq h ALA 61 Ca 0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2wrq h ALA 61 Cb 0.64 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2wrq h ALA 61 CO -0.23 -0.65 0.00 0.94 0.00 0.00 0.00 179.25 179.31 2wrq n GLN 62 N -5.33 0.00 -0.16 0.00 7.27 0.62 -2.30 117.38 117.47 2wrq n GLN 62 Ca -0.03 0.55 0.04 0.00 0.07 0.00 0.00 57.00 57.63 2wrq n GLN 62 Cb 0.25 -1.14 0.08 0.00 2.41 0.00 0.00 30.24 31.84 2wrq n GLN 62 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2wrq n LEU 63 N -1.44 -0.14 0.33 1.69 4.77 -0.92 -0.37 117.00 120.92 2wrq n LEU 63 Ca 0.00 0.77 -0.16 0.00 -0.03 0.00 0.00 56.01 56.59 2wrq n LEU 63 Cb 0.00 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 40.76 2wrq n LEU 63 CO 0.00 -0.75 0.53 0.00 -1.33 0.00 0.00 177.39 175.83 2wrq h ALA 64 N 0.90 -1.18 -1.05 -1.18 0.00 -1.33 0.33 119.26 115.76 2wrq h ALA 64 Ca 0.23 -0.20 0.31 0.00 0.00 0.00 0.00 54.91 55.25 2wrq h ALA 64 Cb 0.39 0.56 -0.13 0.00 0.00 0.00 0.00 17.79 18.60 2wrq h ALA 64 CO -0.45 -1.16 0.63 0.00 0.00 0.00 0.00 179.25 178.27 2wrq h ALA 65 N -1.25 2.06 0.72 0.00 0.00 -0.49 2.09 119.26 122.39 2wrq h ALA 65 Ca -0.08 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2wrq h ALA 65 Cb 0.78 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2wrq h ALA 65 CO 0.05 -0.60 -0.34 -0.07 0.00 0.00 0.00 179.25 178.29 2wrq h LEU 66 N 0.37 -0.81 -2.88 0.00 3.38 -0.87 0.59 115.31 115.08 2wrq h LEU 66 Ca 0.70 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.69 2wrq h LEU 66 Cb 1.64 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 2wrq h LEU 66 CO -0.49 -0.49 -0.00 -0.78 0.09 0.00 0.00 178.44 176.77 2wrq h ASP 67 N -1.14 0.00 1.18 -0.43 1.82 0.21 1.19 116.42 119.24 2wrq h ASP 67 Ca -0.10 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.38 2wrq h ASP 67 Cb 0.74 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.72 2wrq h ASP 67 CO 0.16 0.00 -0.84 0.00 -1.61 0.00 0.00 179.24 176.95 2wrq h ALA 68 N 2.00 0.55 -1.93 -0.78 0.00 0.36 -2.54 119.26 116.92 2wrq h ALA 68 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2wrq h ALA 68 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wrq h ALA 68 CO 0.00 0.95 0.00 0.00 0.00 0.00 0.00 179.25 180.20 2wrq n ALA 69 N -2.31 -0.11 -0.32 0.00 0.00 0.39 -1.23 120.51 116.93 2wrq n ALA 69 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2wrq n ALA 69 Cb 0.84 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.31 2wrq n ALA 69 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wrq h LYS 70 N 0.00 -0.07 -0.85 0.00 3.64 -1.07 0.99 116.57 119.21 2wrq h LYS 70 Ca 0.00 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.55 2wrq h LYS 70 Cb 0.00 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 31.67 2wrq h LYS 70 CO 0.00 -0.04 -0.21 0.87 -2.27 0.00 0.00 179.45 177.79 2wrq h LYS 71 N -0.07 -0.00 0.39 1.90 1.57 -1.53 0.41 116.57 119.24 2wrq h LYS 71 Ca 0.29 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 2wrq h LYS 71 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2wrq h LYS 71 CO -0.87 -0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 177.82 2wrq h ALA 72 N 1.84 -0.52 -2.37 3.86 0.00 0.18 -3.16 119.26 119.09 2wrq h ALA 72 Ca 0.41 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2wrq h ALA 72 Cb 0.62 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2wrq h ALA 72 CO -0.88 -0.63 0.00 -1.33 0.00 0.00 0.00 179.25 176.41 2wrq n MET 73 N -5.19 0.00 0.18 0.00 2.81 0.28 -0.17 117.12 115.03 2wrq n MET 73 Ca -0.10 0.38 0.17 0.00 -1.81 0.00 0.00 57.70 56.34 2wrq n MET 73 Cb 0.28 -0.77 0.68 0.00 -0.71 0.00 0.00 33.22 32.69 2wrq n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wrq h ALA 74 N -1.61 1.88 -0.09 3.04 0.00 -1.57 0.67 119.26 121.58 2wrq h ALA 74 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2wrq h ALA 74 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2wrq h ALA 74 CO 0.00 -0.66 -0.12 1.88 0.00 0.00 0.00 179.25 180.34 2wrq h TYR 75 N 0.00 0.14 0.00 0.00 -1.99 -0.52 -3.45 116.97 111.15 2wrq h TYR 75 Ca 0.13 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.85 2wrq h TYR 75 Cb 1.18 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.86 2wrq h TYR 75 CO 0.00 0.27 0.00 0.41 -0.00 0.00 0.00 178.16 178.84 2wrq n GLY 76 N -1.00 0.44 3.46 3.88 0.00 0.22 -4.65 105.19 107.54 2wrq n GLY 76 Ca -0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2wrq n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wrq s MET 77 N 0.00 1.64 0.38 1.61 0.00 -0.52 -1.27 119.30 121.14 2wrq s MET 77 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 55.69 53.83 2wrq s MET 77 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 34.83 33.62 2wrq s MET 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.02 176.06 2wrq n GLN 78 N -0.66 0.00 -4.18 4.11 1.13 0.17 -4.77 117.38 113.18 2wrq n GLN 78 Ca -0.05 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.66 2wrq n GLN 78 Cb 0.64 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.90 2wrq n GLN 78 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2wrq s SER 79 N -2.63 5.56 -0.05 1.08 0.15 -0.11 -2.14 113.70 115.56 2wrq s SER 79 Ca 0.00 0.19 0.05 0.00 0.70 0.00 0.00 55.95 56.88 2wrq s SER 79 Cb 0.00 -1.74 -0.00 0.00 -1.71 0.00 0.00 66.02 62.57 2wrq s SER 79 CO 0.00 0.32 -0.20 0.68 1.20 0.00 0.00 173.24 175.25 2wrq s VAL 80 N -0.54 1.64 -0.65 4.45 -7.23 0.21 -0.28 120.40 117.99 2wrq s VAL 80 Ca 0.10 -0.82 -0.12 0.00 -1.81 0.00 0.00 61.98 59.33 2wrq s VAL 80 Cb -0.12 -1.41 0.17 0.00 0.56 0.00 0.00 36.38 35.58 2wrq s VAL 80 CO 0.02 0.47 0.56 -0.62 -0.31 0.00 0.00 175.10 175.22 2wrq s ASP 81 N 0.07 6.15 0.53 4.85 2.15 -1.21 0.52 116.67 129.73 2wrq s ASP 81 Ca -0.06 -2.35 -0.15 0.00 0.43 0.00 0.00 52.55 50.42 2wrq s ASP 81 Cb -0.13 -2.11 -0.07 0.00 -0.30 0.00 0.00 42.92 40.31 2wrq s ASP 81 CO 0.03 -0.63 0.98 0.54 -0.17 0.00 0.00 175.17 175.92 2wrq s VAL 82 N 0.70 4.60 -0.25 1.11 0.11 -1.03 -2.36 120.40 123.28 2wrq s VAL 82 Ca 0.12 1.07 -0.07 0.00 -2.93 0.00 0.00 61.98 60.17 2wrq s VAL 82 Cb -0.20 -3.76 0.12 0.00 -1.53 0.00 0.00 36.38 31.01 2wrq s VAL 82 CO -0.04 -0.79 0.52 -0.63 -3.33 0.00 0.00 175.10 170.83 2wrq s ILE 83 N -2.74 -0.81 0.19 7.04 1.01 -0.59 -2.82 121.20 122.47 2wrq s ILE 83 Ca 0.57 0.07 0.06 0.00 0.00 0.00 0.00 60.65 61.35 2wrq s ILE 83 Cb -0.10 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 2wrq s ILE 83 CO 0.37 0.02 0.14 0.68 0.00 0.00 0.00 174.94 176.15 2wrq s VAL 84 N 2.74 4.41 -0.08 2.92 -7.23 -0.18 -0.34 120.40 122.64 2wrq s VAL 84 Ca 0.00 -1.22 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 2wrq s VAL 84 Cb -0.13 -3.29 0.05 0.00 0.56 0.00 0.00 36.38 33.57 2wrq s VAL 84 CO -0.16 -0.19 0.15 -0.13 -0.31 0.00 0.00 175.10 174.46 2wrq s ARG 85 N -3.33 0.02 0.04 4.82 0.52 0.71 -2.14 118.95 119.59 2wrq s ARG 85 Ca 0.31 0.54 0.00 0.00 -0.52 0.00 0.00 55.73 56.07 2wrq s ARG 85 Cb -0.09 -0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.08 2wrq s ARG 85 CO 0.23 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.66 2wrq n GLY 86 N 5.32 -1.76 0.00 -3.53 0.00 -1.26 -2.81 105.19 101.14 2wrq n GLY 86 Ca -0.05 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2wrq n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wrq n THR 87 N 0.00 0.00 0.00 2.61 -1.04 -1.25 -4.94 114.28 109.67 2wrq n THR 87 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wrq n THR 87 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2wrq n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wrq n GLY 88 N 5.00 -0.58 0.01 3.41 0.00 -1.24 -4.50 105.19 107.28 2wrq n GLY 88 Ca 0.00 -1.72 -0.01 0.00 0.00 0.00 0.00 46.02 44.29 2wrq n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrq n ALA 89 N -0.54 0.09 0.20 4.61 0.00 -1.26 -4.30 120.51 119.30 2wrq n ALA 89 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 53.44 53.22 2wrq n ALA 89 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 2wrq n ALA 89 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wrq h GLY 90 N -0.11 0.00 -0.70 0.00 0.00 -1.79 -1.43 103.07 99.03 2wrq h GLY 90 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.54 2wrq h GLY 90 CO 0.00 0.00 -0.04 -0.09 0.00 0.00 0.00 176.54 176.41 2wrq h ARG 91 N 0.00 0.05 0.03 4.80 1.12 -1.79 3.57 114.38 122.15 2wrq h ARG 91 Ca 0.00 -0.00 -0.27 0.00 -1.11 0.00 0.00 59.98 58.59 2wrq h ARG 91 Cb 0.89 -0.01 0.02 0.00 -0.01 0.00 0.00 29.97 30.86 2wrq h ARG 91 CO 0.00 0.03 -1.09 1.49 -3.11 0.00 0.00 179.97 177.29 2wrq h GLU 92 N 0.05 0.68 -0.61 0.20 4.57 -1.54 -3.23 114.58 114.69 2wrq h GLU 92 Ca 0.49 -0.76 0.08 0.00 -1.18 0.00 0.00 59.36 57.99 2wrq h GLU 92 Cb 0.91 0.23 -0.07 0.00 -0.16 0.00 0.00 28.75 29.66 2wrq h GLU 92 CO -0.83 1.33 0.27 1.96 -1.18 0.00 0.00 179.01 180.56 2wrq h GLN 93 N 0.36 0.47 0.00 1.92 1.08 0.17 -2.94 115.11 116.17 2wrq h GLN 93 Ca -0.14 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 2wrq h GLN 93 Cb 1.75 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 29.07 2wrq h GLN 93 CO 0.21 0.31 0.00 0.00 -0.95 0.00 0.00 178.83 178.40 2wrq n ALA 94 N -2.42 0.00 -0.88 3.87 0.00 1.07 -0.14 120.51 122.01 2wrq n ALA 94 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2wrq n ALA 94 Cb 0.24 0.44 0.00 0.00 0.00 0.00 0.00 19.45 20.13 2wrq n ALA 94 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wrq n ILE 95 N -2.70 0.00 -0.29 0.00 5.41 -1.12 -0.07 119.36 120.59 2wrq n ILE 95 Ca 0.00 0.88 0.26 0.00 1.00 0.00 0.00 62.75 64.89 2wrq n ILE 95 Cb 0.00 -1.32 0.45 0.00 -0.71 0.00 0.00 39.64 38.05 2wrq n ILE 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wrq n ARG 96 N -0.94 -0.03 -0.11 0.38 1.74 -0.89 0.35 116.66 117.15 2wrq n ARG 96 Ca 0.00 0.92 -0.12 0.00 -0.77 0.00 0.00 57.85 57.88 2wrq n ARG 96 Cb 0.00 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.67 2wrq n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wrq h ALA 97 N 1.24 0.46 -0.42 7.54 0.00 0.30 -2.68 119.26 125.69 2wrq h ALA 97 Ca 0.61 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2wrq h ALA 97 Cb 1.82 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2wrq h ALA 97 CO -0.42 0.36 0.28 -0.07 0.00 0.00 0.00 179.25 179.41 2wrq h LEU 98 N 0.45 0.47 0.00 0.00 3.38 0.78 -3.10 115.31 117.29 2wrq h LEU 98 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wrq h LEU 98 Cb 0.68 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2wrq h LEU 98 CO 0.05 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.91 2wrq n GLN 99 N -4.48 0.00 -0.37 1.13 6.02 -0.81 -3.58 117.38 115.30 2wrq n GLN 99 Ca 0.03 0.42 -0.04 0.00 -0.01 0.00 0.00 57.00 57.41 2wrq n GLN 99 Cb 0.07 -1.24 -0.06 0.00 1.02 0.00 0.00 30.24 30.04 2wrq n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wrq n ALA 100 N -1.77 3.05 0.00 -1.58 0.00 -1.03 -3.02 120.51 116.16 2wrq n ALA 100 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 2wrq n ALA 100 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.28 2wrq n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wrq n SER 101 N 2.64 0.76 -0.03 0.00 3.41 -1.18 -4.96 113.62 114.27 2wrq n SER 101 Ca 0.14 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2wrq n SER 101 Cb 0.34 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 2wrq n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrq n GLY 102 N 1.03 1.50 3.46 5.00 0.00 -1.17 -4.92 105.19 110.09 2wrq n GLY 102 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2wrq n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrq s LEU 103 N -0.05 2.58 -0.45 0.99 2.01 -1.24 -5.01 118.68 117.52 2wrq s LEU 103 Ca 0.00 -1.16 -0.12 0.00 0.01 0.00 0.00 54.13 52.86 2wrq s LEU 103 Cb 0.00 -0.82 0.07 0.00 0.01 0.00 0.00 46.19 45.46 2wrq s LEU 103 CO 0.00 -0.23 0.33 -1.58 1.01 0.00 0.00 176.35 175.88 2wrq s GLN 104 N -3.65 2.80 -0.79 1.70 -0.44 -0.91 -4.85 119.66 113.51 2wrq s GLN 104 Ca 0.30 -1.40 -0.26 0.00 -2.50 0.00 0.00 55.36 51.50 2wrq s GLN 104 Cb 0.02 -3.96 0.03 0.00 -1.64 0.00 0.00 33.01 27.46 2wrq s GLN 104 CO 0.13 -0.99 1.33 0.14 0.50 0.00 0.00 175.29 176.40 2wrq s VAL 105 N 1.54 3.75 0.23 1.34 -7.23 -1.26 0.64 120.40 119.40 2wrq s VAL 105 Ca 0.04 0.18 -0.05 0.00 -1.81 0.00 0.00 61.98 60.33 2wrq s VAL 105 Cb -0.24 -4.92 0.11 0.00 0.56 0.00 0.00 36.38 31.90 2wrq s VAL 105 CO 0.04 -1.85 1.73 0.50 -0.31 0.00 0.00 175.10 175.22 2wrq h LYS 106 N 10.10 0.99 -1.15 4.82 3.64 -0.31 -3.48 116.57 131.18 2wrq h LYS 106 Ca -0.19 -0.25 0.33 0.00 -1.27 0.00 0.00 60.65 59.27 2wrq h LYS 106 Cb 1.04 -0.12 -0.19 0.00 -0.41 0.00 0.00 32.23 32.55 2wrq h LYS 106 CO 1.31 0.91 0.94 -1.54 -2.27 0.00 0.00 179.45 178.80 2wrq s SER 107 N -6.55 -0.04 -0.18 4.20 1.04 -1.25 -5.03 113.70 105.90 2wrq s SER 107 Ca -0.11 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2wrq s SER 107 Cb 0.15 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.32 2wrq s SER 107 CO 0.83 -0.08 -0.17 -0.63 0.98 0.00 0.00 173.24 174.18 2wrq s ILE 108 N -2.13 2.40 0.03 -1.02 1.09 -1.26 -2.47 121.20 117.84 2wrq s ILE 108 Ca 0.12 -0.84 0.09 0.00 -1.10 0.00 0.00 60.65 58.92 2wrq s ILE 108 Cb 0.01 -2.02 -0.03 0.00 -1.06 0.00 0.00 42.46 39.36 2wrq s ILE 108 CO -0.03 0.52 -0.25 -0.69 -0.10 0.00 0.00 174.94 174.38 2wrq s VAL 109 N 1.18 2.02 -0.93 2.92 1.01 -1.13 -5.01 120.40 120.45 2wrq s VAL 109 Ca 0.02 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 2wrq s VAL 109 Cb -0.14 -1.72 0.25 0.00 0.00 0.00 0.00 36.38 34.78 2wrq s VAL 109 CO -0.08 0.37 0.98 -0.67 0.00 0.00 0.00 175.10 175.71 2wrq n ASP 110 N 1.92 4.81 -2.90 3.32 2.03 -1.26 -1.01 116.55 123.45 2wrq n ASP 110 Ca -0.17 -3.23 -0.32 0.00 0.52 0.00 0.00 54.79 51.60 2wrq n ASP 110 Cb 0.52 -1.08 -0.05 0.00 -0.72 0.00 0.00 41.12 39.79 2wrq n ASP 110 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2wrq n ASP 111 N 1.91 7.16 -4.56 1.67 4.64 -0.91 -4.91 116.55 121.56 2wrq n ASP 111 Ca 0.24 -3.06 -0.42 0.00 -1.38 0.00 0.00 54.79 50.18 2wrq n ASP 111 Cb 0.37 -1.33 -0.03 0.00 -1.04 0.00 0.00 41.12 39.09 2wrq n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 2wrq s THR 112 N -1.14 3.85 0.18 5.18 2.01 -1.25 -4.68 115.64 119.79 2wrq s THR 112 Ca 0.59 0.55 -0.32 0.00 0.31 0.00 0.00 61.69 62.82 2wrq s THR 112 Cb 0.28 -4.84 -0.11 0.00 0.01 0.00 0.00 72.50 67.84 2wrq s THR 112 CO -0.14 -1.66 1.75 -2.16 -0.69 0.00 0.00 174.62 171.72 2wrq s PRO 113 N 5.38 4.13 0.02 4.92 0.04 -1.26 -4.91 135.00 143.32 2wrq s PRO 113 Ca 0.37 2.59 0.01 0.00 0.04 0.00 0.00 61.00 64.01 2wrq s PRO 113 Cb -0.08 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 2wrq s PRO 113 CO 0.18 -0.77 -0.05 0.54 0.04 0.00 0.00 177.00 176.94 2wrq s VAL 114 N 1.67 0.32 0.31 -0.36 0.11 -1.26 -5.02 120.40 116.17 2wrq s VAL 114 Ca 0.76 -0.58 -0.07 0.00 -2.93 0.00 0.00 61.98 59.17 2wrq s VAL 114 Cb -0.48 -0.35 -0.06 0.00 -1.53 0.00 0.00 36.38 33.96 2wrq s VAL 114 CO 0.33 -0.18 0.61 -2.16 -3.33 0.00 0.00 175.10 170.37 2wrq s PRO 115 N -0.81 3.68 -0.42 1.54 0.04 -1.26 -4.96 135.00 132.81 2wrq s PRO 115 Ca -0.06 0.14 -0.04 0.00 0.04 0.00 0.00 61.00 61.08 2wrq s PRO 115 Cb -0.06 -2.58 0.03 0.00 0.04 0.00 0.00 34.50 31.93 2wrq s PRO 115 CO -0.00 0.16 2.84 0.72 0.04 0.00 0.00 177.00 180.76 2wrq n HIS 116 N -0.97 1.47 -1.93 0.56 8.25 -1.26 -4.67 115.22 116.67 2wrq n HIS 116 Ca -0.01 -1.90 -0.01 0.00 -0.26 0.00 0.00 57.72 55.54 2wrq n HIS 116 Cb 0.54 -1.40 -0.01 0.00 1.12 0.00 0.00 29.99 30.24 2wrq n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wrq n ASN 117 N 1.01 -2.80 0.00 0.41 5.03 -1.26 -5.08 115.26 112.57 2wrq n ASN 117 Ca 0.48 0.52 0.00 0.00 0.87 0.00 0.00 54.58 56.45 2wrq n ASN 117 Cb 0.58 -2.60 0.00 0.00 -1.02 0.00 0.00 39.78 36.74 2wrq n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wrq n GLY 118 N 0.45 -0.23 3.15 7.41 0.00 -1.26 -5.08 105.19 109.63 2wrq n GLY 118 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 2wrq n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrq n ARG 120 N 2.18 1.33 -3.51 0.00 1.85 -1.26 -4.98 116.66 112.28 2wrq n ARG 120 Ca -0.17 0.48 -0.20 0.00 -1.00 0.00 0.00 57.85 56.97 2wrq n ARG 120 Cb 0.55 -2.12 -0.02 0.00 -1.05 0.00 0.00 32.46 29.82 2wrq n ARG 120 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2wrq s PRO 121 N -2.20 2.68 0.68 2.89 0.04 -1.26 -5.08 135.00 132.75 2wrq s PRO 121 Ca 0.66 -1.38 -0.17 0.00 0.04 0.00 0.00 61.00 60.14 2wrq s PRO 121 Cb -0.52 -2.51 -0.10 0.00 0.04 0.00 0.00 34.50 31.41 2wrq s PRO 121 CO 0.55 -0.12 0.03 1.63 0.04 0.00 0.00 177.00 179.14 2wrq n LYS 122 N -1.57 0.14 -0.30 4.56 5.02 -1.26 -4.26 118.16 120.49 2wrq n LYS 122 Ca 0.03 0.07 0.13 0.00 -2.02 0.00 0.00 58.31 56.51 2wrq n LYS 122 Cb 0.60 -1.35 0.30 0.00 -0.02 0.00 0.00 35.03 34.56 2wrq n LYS 122 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2wrq h LYS 123 N -0.31 0.24 -0.49 1.97 3.64 -1.98 0.36 116.57 120.01 2wrq h LYS 123 Ca -0.43 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.03 2wrq h LYS 123 Cb 1.38 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 33.05 2wrq h LYS 123 CO 0.39 0.16 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.35 2wrq h LYS 124 N 0.25 -0.04 0.00 1.90 3.64 -2.03 -0.78 116.57 119.51 2wrq h LYS 124 Ca 0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 2wrq h LYS 124 Cb 1.11 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2wrq h LYS 124 CO -0.62 -0.03 -0.74 1.19 -2.27 0.00 0.00 179.45 176.98 2wrq n PHE 125 N -5.38 0.30 0.39 1.91 3.01 -0.78 -3.38 117.46 113.52 2wrq n PHE 125 Ca 0.04 0.09 0.03 0.00 1.01 0.00 0.00 57.45 58.62 2wrq n PHE 125 Cb 0.28 -0.46 0.19 0.00 -0.01 0.00 0.00 39.48 39.49 2wrq n PHE 125 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2wrq n ARG 126 N -1.88 0.17 -0.09 -1.08 0.63 0.12 -2.10 116.66 112.43 2wrq n ARG 126 Ca 0.03 0.08 0.26 0.00 -0.92 0.00 0.00 57.85 57.30 2wrq n ARG 126 Cb 0.41 -1.50 0.72 0.00 0.45 0.00 0.00 32.46 32.54 2wrq n ARG 126 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2wrq h LYS 127 N 0.00 0.00 -2.27 -0.14 1.79 -1.53 -0.33 116.57 114.09 2wrq h LYS 127 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 2wrq h LYS 127 Cb 0.02 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.62 2wrq h LYS 127 CO 0.00 0.00 -0.14 0.00 -1.08 0.00 0.00 179.45 178.23 2wrq n ALA 128 N -2.61 4.87 0.00 3.86 0.00 -0.89 -5.18 120.51 120.56 2wrq n ALA 128 Ca 0.15 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2wrq n ALA 128 Cb 0.85 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 18.02 2wrq n ALA 128 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95