#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwt s SER 2 N 0.00 -0.59 0.15 1.61 0.01 -1.26 -5.18 113.70 108.44 1wwt s SER 2 Ca 0.00 0.83 -0.24 0.00 1.31 0.00 0.00 55.95 57.85 1wwt s SER 2 Cb 0.00 0.73 0.07 0.00 0.21 0.00 0.00 66.02 67.03 1wwt s SER 2 CO 0.00 -0.42 0.64 -0.94 0.41 0.00 0.00 173.24 172.93 1wwt s SER 3 N -0.66 -0.53 0.00 2.44 1.04 -1.26 -5.15 113.70 109.58 1wwt s SER 3 Ca -0.05 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1wwt s SER 3 Cb -0.02 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1wwt s SER 3 CO 0.04 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1wwt n GLY 4 N -0.37 -0.53 3.59 7.32 0.00 -1.26 -5.09 105.19 108.85 1wwt n GLY 4 Ca -0.16 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1wwt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wwt s SER 5 N -4.00 6.20 -0.86 1.61 0.15 -1.26 -4.89 113.70 110.65 1wwt s SER 5 Ca 0.00 0.54 -0.24 0.00 0.70 0.00 0.00 55.95 56.95 1wwt s SER 5 Cb 0.00 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.60 1wwt s SER 5 CO 0.00 -1.60 1.90 -0.24 1.20 0.00 0.00 173.24 174.50 1wwt n SER 6 N 9.32 2.47 -0.46 5.45 2.88 -1.26 -4.83 113.62 127.18 1wwt n SER 6 Ca 0.15 -2.65 0.03 0.00 -1.33 0.00 0.00 58.87 55.06 1wwt n SER 6 Cb 0.49 -1.32 -0.01 0.00 -0.75 0.00 0.00 64.21 62.62 1wwt n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wwt n GLY 7 N 5.16 -0.50 3.41 0.46 0.00 -1.26 -4.96 105.19 107.50 1wwt n GLY 7 Ca 0.47 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1wwt n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wwt s ASP 8 N -3.83 -0.18 1.22 1.61 -4.77 -1.26 -5.17 116.67 104.30 1wwt s ASP 8 Ca 0.00 -0.52 -0.13 0.00 -3.30 0.00 0.00 52.55 48.60 1wwt s ASP 8 Cb 0.00 0.51 0.20 0.00 -1.09 0.00 0.00 42.92 42.54 1wwt s ASP 8 CO 0.00 -0.95 0.56 -1.54 0.70 0.00 0.00 175.17 173.94 1wwt n SER 9 N -0.27 -2.54 -3.49 2.11 3.41 -1.26 -5.06 113.62 106.51 1wwt n SER 9 Ca -0.11 -0.68 -0.10 0.00 -0.26 0.00 0.00 58.87 57.71 1wwt n SER 9 Cb 0.63 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1wwt n SER 9 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1wwt s LYS 10 N -4.32 0.92 -0.39 4.33 -2.85 -1.26 -4.94 119.74 111.23 1wwt s LYS 10 Ca 0.40 -0.26 -0.29 0.00 -1.00 0.00 0.00 55.97 54.82 1wwt s LYS 10 Cb -0.06 0.43 0.01 0.00 -2.06 0.00 0.00 37.83 36.15 1wwt s LYS 10 CO 0.32 -0.39 1.40 -1.25 0.10 0.00 0.00 175.35 175.54 1wwt s PRO 11 N -2.94 3.63 0.26 1.78 0.04 -1.26 -0.81 135.00 135.70 1wwt s PRO 11 Ca 0.02 1.00 0.08 0.00 0.04 0.00 0.00 61.00 62.14 1wwt s PRO 11 Cb -0.01 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 1wwt s PRO 11 CO -0.08 -1.49 0.16 0.96 0.04 0.00 0.00 177.00 176.59 1wwt s ILE 12 N 5.27 4.22 -0.18 0.56 -4.36 0.52 -4.94 121.20 122.29 1wwt s ILE 12 Ca 0.61 -1.50 -0.02 0.00 -0.26 0.00 0.00 60.65 59.48 1wwt s ILE 12 Cb -0.14 -3.29 -0.01 0.00 1.25 0.00 0.00 42.46 40.27 1wwt s ILE 12 CO 0.31 -0.35 -0.10 -0.54 0.24 0.00 0.00 174.94 174.50 1wwt s LYS 13 N -3.82 3.32 -0.22 0.37 -0.14 -1.26 -0.39 119.74 117.60 1wwt s LYS 13 Ca 0.33 -0.68 -0.01 0.00 -1.36 0.00 0.00 55.97 54.25 1wwt s LYS 13 Cb -0.07 -2.79 0.02 0.00 -1.68 0.00 0.00 37.83 33.31 1wwt s LYS 13 CO 0.24 -0.03 -0.10 0.08 -0.76 0.00 0.00 175.35 174.77 1wwt s VAL 14 N 0.99 2.66 -0.17 3.17 1.01 -0.92 -2.59 120.40 124.55 1wwt s VAL 14 Ca -0.01 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 1wwt s VAL 14 Cb -0.15 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1wwt s VAL 14 CO -0.01 0.32 0.66 -0.89 0.00 0.00 0.00 175.10 175.18 1wwt s THR 15 N 1.32 5.02 0.90 3.92 2.01 -1.19 -0.74 115.64 126.89 1wwt s THR 15 Ca 0.02 1.26 -0.11 0.00 0.31 0.00 0.00 61.69 63.18 1wwt s THR 15 Cb -0.15 -3.97 0.14 0.00 0.01 0.00 0.00 72.50 68.52 1wwt s THR 15 CO -0.07 0.13 1.12 -0.76 -0.69 0.00 0.00 174.62 174.35 1wwt s LEU 16 N 1.72 2.63 0.00 4.42 1.43 0.29 -1.26 118.68 127.91 1wwt s LEU 16 Ca 0.31 1.98 0.16 0.00 -1.03 0.00 0.00 54.13 55.55 1wwt s LEU 16 Cb -0.16 -4.38 0.95 0.00 0.03 0.00 0.00 46.19 42.63 1wwt s LEU 16 CO 0.12 -2.93 1.45 -0.81 0.23 0.00 0.00 176.35 174.40 1wwt n PRO 17 N -4.11 0.75 -0.01 1.29 -0.04 -0.79 -1.92 135.00 130.17 1wwt n PRO 17 Ca 0.10 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 1wwt n PRO 17 Cb 0.53 -1.33 -0.14 0.00 -0.04 0.00 0.00 33.50 32.52 1wwt n PRO 17 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wwt n ASP 18 N -0.83 0.62 0.00 3.54 -0.08 -1.26 -4.98 116.55 113.55 1wwt n ASP 18 Ca 0.12 -0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 1wwt n ASP 18 Cb 0.05 1.60 0.00 0.00 2.34 0.00 0.00 41.12 45.11 1wwt n ASP 18 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wwt n GLY 19 N 1.40 1.09 3.69 0.27 0.00 -0.81 -5.09 105.19 105.74 1wwt n GLY 19 Ca -0.01 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1wwt n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wwt n LYS 20 N 0.00 0.22 -4.26 1.61 4.81 -1.26 -4.62 118.16 114.66 1wwt n LYS 20 Ca 0.00 0.15 -0.27 0.00 -0.87 0.00 0.00 58.31 57.32 1wwt n LYS 20 Cb 0.00 -2.43 -0.09 0.00 0.02 0.00 0.00 35.03 32.53 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1wwt s GLN 21 N -4.05 2.15 0.20 1.64 -0.21 -1.26 0.10 119.66 118.23 1wwt s GLN 21 Ca 0.74 -1.19 0.01 0.00 0.02 0.00 0.00 55.36 54.93 1wwt s GLN 21 Cb -0.30 -2.23 -0.05 0.00 1.00 0.00 0.00 33.01 31.44 1wwt s GLN 21 CO 0.50 0.45 0.07 0.08 -2.12 0.00 0.00 175.29 174.27 1wwt s VAL 22 N -1.64 0.41 -0.16 1.09 1.01 0.08 -4.88 120.40 116.31 1wwt s VAL 22 Ca 0.25 -1.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.23 1wwt s VAL 22 Cb -0.09 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1wwt s VAL 22 CO 0.16 -0.22 -0.08 -1.81 0.00 0.00 0.00 175.10 173.15 1wwt s ASP 23 N -3.20 4.29 0.33 3.32 1.01 -1.26 -2.16 116.67 119.00 1wwt s ASP 23 Ca 0.32 -0.30 0.06 0.00 0.71 0.00 0.00 52.55 53.34 1wwt s ASP 23 Cb 0.07 -1.69 -0.03 0.00 1.01 0.00 0.00 42.92 42.28 1wwt s ASP 23 CO 0.08 0.11 0.29 0.00 0.21 0.00 0.00 175.17 175.87 1wwt s ALA 24 N 0.71 1.76 0.01 5.23 0.00 0.48 -4.95 121.76 125.00 1wwt s ALA 24 Ca -0.04 -2.03 0.03 0.00 0.00 0.00 0.00 51.96 49.92 1wwt s ALA 24 Cb -0.15 1.45 -0.01 0.00 0.00 0.00 0.00 23.12 24.41 1wwt s ALA 24 CO 0.02 -0.67 -0.09 -1.21 0.00 0.00 0.00 175.76 173.81 1wwt s GLU 25 N -3.42 0.65 0.17 0.00 2.02 -1.26 0.20 118.70 117.06 1wwt s GLU 25 Ca 0.40 -0.41 -0.31 0.00 0.02 0.00 0.00 54.97 54.67 1wwt s GLU 25 Cb 0.02 -0.60 -0.10 0.00 0.10 0.00 0.00 34.13 33.55 1wwt s GLU 25 CO 0.27 0.16 1.56 -1.54 0.02 0.00 0.00 175.26 175.72 1wwt s SER 26 N -0.51 6.59 -1.55 -0.19 1.04 0.01 -1.35 113.70 117.74 1wwt s SER 26 Ca 0.01 2.61 -0.03 0.00 0.48 0.00 0.00 55.95 59.02 1wwt s SER 26 Cb -0.05 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1wwt s SER 26 CO 0.00 -0.81 0.43 0.79 0.98 0.00 0.00 173.24 174.63 1wwt n TRP 27 N 3.86 -1.64 0.05 5.02 7.02 -1.06 -4.17 117.44 126.52 1wwt n TRP 27 Ca 0.13 0.37 0.00 0.00 -1.02 0.00 0.00 57.50 56.98 1wwt n TRP 27 Cb 0.39 -4.23 0.00 0.00 -2.42 0.00 0.00 31.31 25.04 1wwt n TRP 27 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1wwt n LYS 28 N -3.64 0.00 -3.89 -0.99 5.02 -0.52 -5.00 118.16 109.14 1wwt n LYS 28 Ca -0.14 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.80 1wwt n LYS 28 Cb 0.63 -0.03 -0.05 0.00 -0.02 0.00 0.00 35.03 35.56 1wwt n LYS 28 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wwt s THR 29 N -1.38 5.44 0.49 -0.18 2.01 -0.46 -4.95 115.64 116.63 1wwt s THR 29 Ca 0.00 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1wwt s THR 29 Cb 0.00 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1wwt s THR 29 CO 0.00 0.40 0.11 0.42 -0.69 0.00 0.00 174.62 174.86 1wwt s THR 30 N -1.25 1.50 -0.16 -0.82 -4.23 -1.26 -2.29 115.64 107.13 1wwt s THR 30 Ca 0.24 -1.86 0.28 0.00 -1.18 0.00 0.00 61.69 59.18 1wwt s THR 30 Cb -0.13 -2.36 0.36 0.00 1.34 0.00 0.00 72.50 71.72 1wwt s THR 30 CO 0.15 0.00 1.80 1.55 -0.54 0.00 0.00 174.62 177.58 1wwt h PRO 31 N 1.28 0.00 -0.10 3.99 0.13 -1.78 -2.71 132.00 132.81 1wwt h PRO 31 Ca -0.42 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.55 1wwt h PRO 31 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1wwt h PRO 31 CO 0.71 0.01 -0.61 -0.92 -0.23 0.00 0.00 178.00 176.96 1wwt h TYR 32 N 0.00 0.45 0.03 1.56 3.20 -1.88 -2.92 116.97 117.41 1wwt h TYR 32 Ca -0.00 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.69 1wwt h TYR 32 Cb 0.76 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1wwt h TYR 32 CO 0.00 0.87 -0.02 1.96 -1.64 0.00 0.00 178.16 179.33 1wwt h GLN 33 N 0.26 -0.04 -0.90 1.82 4.20 -1.84 -1.96 115.11 116.65 1wwt h GLN 33 Ca -0.01 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.88 1wwt h GLN 33 Cb 1.14 0.01 -0.17 0.00 0.30 0.00 0.00 27.48 28.76 1wwt h GLN 33 CO 0.10 0.54 -0.24 0.82 -0.67 0.00 0.00 178.83 179.38 1wwt h ILE 34 N -0.96 0.09 -0.05 2.54 2.04 -1.57 0.55 117.51 120.15 1wwt h ILE 34 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1wwt h ILE 34 Cb 0.60 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1wwt h ILE 34 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.16 1wwt h ALA 35 N 1.83 0.07 -0.67 1.87 0.00 -1.62 -3.08 119.26 117.66 1wwt h ALA 35 Ca 0.42 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.26 1wwt h ALA 35 Cb 0.65 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 1wwt h ALA 35 CO -0.93 -0.27 -0.45 0.00 0.00 0.00 0.00 179.25 177.60 1wwt n GLY 37 N -1.39 -2.22 3.33 0.00 0.00 0.12 -4.46 105.19 100.57 1wwt n GLY 37 Ca 0.02 1.11 -0.32 0.00 0.00 0.00 0.00 46.02 46.83 1wwt n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wwt n ILE 38 N -5.33 0.00 -1.45 -0.61 5.41 0.28 -4.71 119.36 112.95 1wwt n ILE 38 Ca 0.06 -0.28 -0.57 0.00 1.00 0.00 0.00 62.75 62.97 1wwt n ILE 38 Cb 0.33 -0.64 -0.08 0.00 -0.71 0.00 0.00 39.64 38.54 1wwt n ILE 38 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1wwt n SER 39 N -1.82 -0.02 -4.67 4.38 7.64 -1.26 -4.70 113.62 113.17 1wwt n SER 39 Ca 0.02 1.12 -0.50 0.00 1.01 0.00 0.00 58.87 60.52 1wwt n SER 39 Cb 0.59 -0.89 -0.05 0.00 -1.01 0.00 0.00 64.21 62.85 1wwt n SER 39 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1wwt n GLN 40 N 1.45 1.79 0.00 1.43 7.27 -1.26 -2.53 117.38 125.53 1wwt n GLN 40 Ca 0.19 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.91 1wwt n GLN 40 Cb 0.08 -2.41 0.00 0.00 2.41 0.00 0.00 30.24 30.32 1wwt n GLN 40 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wwt n GLY 41 N 3.84 3.02 0.15 1.69 0.00 -1.26 -4.97 105.19 107.66 1wwt n GLY 41 Ca 0.21 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.61 1wwt n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wwt h LEU 42 N 0.00 -0.14 -0.43 0.99 6.46 -1.78 0.64 115.31 121.05 1wwt h LEU 42 Ca 0.00 0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.78 1wwt h LEU 42 Cb 0.00 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 1wwt h LEU 42 CO 0.00 -0.03 0.01 0.00 -0.62 0.00 0.00 178.44 177.80 1wwt h ALA 43 N 1.30 0.57 -0.69 1.25 0.00 -1.83 -2.78 119.26 117.08 1wwt h ALA 43 Ca 0.17 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1wwt h ALA 43 Cb 0.23 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1wwt h ALA 43 CO -0.28 0.34 0.37 -0.44 0.00 0.00 0.00 179.25 179.25 1wwt h ASP 44 N 0.58 0.53 -0.68 0.00 5.19 -1.64 -1.73 116.42 118.68 1wwt h ASP 44 Ca 0.12 0.04 -0.44 0.00 -0.62 0.00 0.00 57.03 56.13 1wwt h ASP 44 Cb 0.46 -0.06 -0.12 0.00 0.18 0.00 0.00 39.33 39.79 1wwt h ASP 44 CO 0.02 0.33 0.60 0.59 -3.12 0.00 0.00 179.24 177.66 1wwt n ASN 45 N -4.81 6.42 -3.87 6.45 4.13 0.21 -2.91 115.26 120.88 1wwt n ASN 45 Ca 0.10 -2.93 -0.25 0.00 1.68 0.00 0.00 54.58 53.17 1wwt n ASN 45 Cb 0.21 -1.33 -0.17 0.00 -1.54 0.00 0.00 39.78 36.95 1wwt n ASN 45 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1wwt s THR 46 N -0.84 0.80 -0.24 3.41 2.01 -0.65 -4.75 115.64 115.38 1wwt s THR 46 Ca 0.62 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 62.27 1wwt s THR 46 Cb 0.33 -0.85 -0.16 0.00 0.01 0.00 0.00 72.50 71.83 1wwt s THR 46 CO -0.13 0.32 -0.05 0.55 -0.69 0.00 0.00 174.62 174.63 1wwt n VAL 47 N 4.85 1.53 -3.69 3.82 3.14 0.17 -4.58 118.33 123.58 1wwt n VAL 47 Ca -0.13 -0.18 -0.10 0.00 -2.96 0.00 0.00 64.34 60.97 1wwt n VAL 47 Cb 0.50 -1.98 -0.11 0.00 -1.06 0.00 0.00 33.84 31.20 1wwt n VAL 47 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1wwt s ILE 48 N -2.43 -0.14 -0.08 1.55 -1.09 -1.24 -4.53 121.20 113.24 1wwt s ILE 48 Ca -0.33 0.12 -0.17 0.00 -2.23 0.00 0.00 60.65 58.03 1wwt s ILE 48 Cb 0.10 -0.59 -0.05 0.00 -1.58 0.00 0.00 42.46 40.34 1wwt s ILE 48 CO 0.54 0.05 0.45 0.00 -1.23 0.00 0.00 174.94 174.75 1wwt s ALA 49 N 1.63 3.55 0.02 9.38 0.00 -1.19 -0.53 121.76 134.61 1wwt s ALA 49 Ca -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 1wwt s ALA 49 Cb -0.09 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1wwt s ALA 49 CO -0.12 0.16 0.23 0.15 0.00 0.00 0.00 175.76 176.18 1wwt s LYS 50 N 0.03 3.49 -0.32 0.00 1.02 0.13 0.19 119.74 124.28 1wwt s LYS 50 Ca 0.25 -0.25 -0.01 0.00 0.02 0.00 0.00 55.97 55.98 1wwt s LYS 50 Cb -0.16 -3.06 0.10 0.00 -0.52 0.00 0.00 37.83 34.20 1wwt s LYS 50 CO 0.11 0.64 0.12 0.08 -0.92 0.00 0.00 175.35 175.38 1wwt s VAL 51 N -1.38 0.83 0.00 3.17 1.01 0.38 -2.53 120.40 121.89 1wwt s VAL 51 Ca 0.30 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1wwt s VAL 51 Cb -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1wwt s VAL 51 CO 0.20 -0.71 0.00 -3.20 0.00 0.00 0.00 175.10 171.39 1wwt n ASN 52 N 4.72 -1.84 0.00 3.32 2.85 -1.10 -3.12 115.26 120.09 1wwt n ASN 52 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1wwt n ASN 52 Cb 0.41 -0.46 0.00 0.00 1.24 0.00 0.00 39.78 40.97 1wwt n ASN 52 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1wwt n ASN 53 N 1.83 -2.71 -4.08 1.20 2.85 -1.26 -4.95 115.26 108.15 1wwt n ASN 53 Ca 0.00 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.24 1wwt n ASN 53 Cb 0.23 -0.45 -0.16 0.00 1.24 0.00 0.00 39.78 40.64 1wwt n ASN 53 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1wwt s VAL 54 N -2.00 1.13 0.03 3.44 -7.23 -1.18 -5.09 120.40 109.50 1wwt s VAL 54 Ca 0.00 -0.56 -0.36 0.00 -1.81 0.00 0.00 61.98 59.25 1wwt s VAL 54 Cb 0.00 -0.98 -0.15 0.00 0.56 0.00 0.00 36.38 35.81 1wwt s VAL 54 CO 0.00 0.33 1.52 0.52 -0.31 0.00 0.00 175.10 177.16 1wwt n VAL 55 N 3.17 0.10 -4.26 1.32 0.31 -1.26 0.15 118.33 117.86 1wwt n VAL 55 Ca -0.18 -0.02 -0.19 0.00 -0.01 0.00 0.00 64.34 63.95 1wwt n VAL 55 Cb 0.54 -1.17 -0.11 0.00 -0.91 0.00 0.00 33.84 32.18 1wwt n VAL 55 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1wwt s TRP 56 N 1.40 1.49 0.15 3.52 -0.11 0.49 -4.72 118.94 121.17 1wwt s TRP 56 Ca 0.86 -0.55 -0.11 0.00 1.22 0.00 0.00 56.10 57.52 1wwt s TRP 56 Cb -0.87 -0.77 -0.07 0.00 -1.50 0.00 0.00 33.47 30.26 1wwt s TRP 56 CO 0.48 0.18 0.49 -0.51 -4.62 0.00 0.00 176.95 172.98 1wwt s ASP 57 N -2.54 6.70 0.31 5.86 1.01 -1.26 -3.19 116.67 123.55 1wwt s ASP 57 Ca 0.11 0.92 0.16 0.00 0.71 0.00 0.00 52.55 54.44 1wwt s ASP 57 Cb -0.05 -2.23 0.38 0.00 1.01 0.00 0.00 42.92 42.03 1wwt s ASP 57 CO 0.04 0.07 1.59 -0.07 0.21 0.00 0.00 175.17 177.01 1wwt h LEU 58 N 3.29 0.00 -0.97 1.23 3.38 -1.96 -2.50 115.31 117.78 1wwt h LEU 58 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1wwt h LEU 58 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1wwt h LEU 58 CO 0.67 0.51 0.00 0.47 0.09 0.00 0.00 178.44 180.18 1wwt n ASP 59 N -3.45 1.45 -4.26 -0.43 9.92 -1.26 -3.87 116.55 114.64 1wwt n ASP 59 Ca 0.00 -1.68 -0.33 0.00 -0.53 0.00 0.00 54.79 52.26 1wwt n ASP 59 Cb 0.63 -0.09 -0.15 0.00 -0.64 0.00 0.00 41.12 40.86 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1wwt s ARG 60 N -1.82 3.20 0.43 -1.24 3.52 -0.94 -5.11 118.95 116.99 1wwt s ARG 60 Ca 0.32 -0.76 -0.23 0.00 -0.13 0.00 0.00 55.73 54.92 1wwt s ARG 60 Cb 0.17 -2.58 -0.09 0.00 -1.56 0.00 0.00 34.95 30.89 1wwt s ARG 60 CO 0.25 0.05 1.05 -1.25 -0.81 0.00 0.00 175.30 174.60 1wwt s PRO 61 N 0.72 4.05 1.10 5.12 0.04 -1.26 -4.34 135.00 140.42 1wwt s PRO 61 Ca -0.07 1.48 -0.15 0.00 0.04 0.00 0.00 61.00 62.29 1wwt s PRO 61 Cb -0.16 -2.41 0.21 0.00 0.04 0.00 0.00 34.50 32.19 1wwt s PRO 61 CO 0.01 -0.24 0.43 1.28 0.04 0.00 0.00 177.00 178.53 1wwt n LEU 62 N -0.34 -1.19 -0.01 -3.56 7.99 -0.97 -4.58 117.00 114.33 1wwt n LEU 62 Ca 0.06 -0.46 -0.02 0.00 -0.01 0.00 0.00 56.01 55.58 1wwt n LEU 62 Cb 0.50 -0.82 -0.02 0.00 -0.11 0.00 0.00 43.42 42.97 1wwt n LEU 62 CO 0.43 -3.50 -0.59 -0.62 -1.51 0.00 0.00 177.39 171.60 1wwt n GLU 63 N -2.57 1.21 -3.93 3.23 1.02 -1.26 -2.58 120.64 115.76 1wwt n GLU 63 Ca 0.07 0.01 -0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1wwt n GLU 63 Cb 0.40 -1.06 0.02 0.00 -0.02 0.00 0.00 31.44 30.78 1wwt n GLU 63 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1wwt s GLU 64 N -2.06 0.88 -0.49 3.49 -1.05 -1.26 -4.66 118.70 113.55 1wwt s GLU 64 Ca -0.03 -0.57 -0.43 0.00 -0.15 0.00 0.00 54.97 53.79 1wwt s GLU 64 Cb 0.01 0.24 -0.18 0.00 -0.44 0.00 0.00 34.13 33.76 1wwt s GLU 64 CO 0.08 -0.41 2.16 -0.40 0.95 0.00 0.00 175.26 177.63 1wwt n ASP 65 N -1.16 0.90 -3.42 0.83 5.75 -1.26 -4.81 116.55 113.38 1wwt n ASP 65 Ca 0.00 0.63 -0.11 0.00 -0.01 0.00 0.00 54.79 55.30 1wwt n ASP 65 Cb 0.59 -0.94 -0.03 0.00 -1.03 0.00 0.00 41.12 39.71 1wwt n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wwt s THR 67 N -3.20 3.96 -0.06 0.00 -4.23 -1.26 -3.17 115.64 107.69 1wwt s THR 67 Ca 0.24 -0.67 0.02 0.00 -1.18 0.00 0.00 61.69 60.10 1wwt s THR 67 Cb -0.02 -3.43 0.02 0.00 1.34 0.00 0.00 72.50 70.41 1wwt s THR 67 CO 0.15 -0.26 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.66 1wwt s LEU 68 N -4.44 1.51 -0.07 4.79 2.96 -0.39 -2.71 118.68 120.33 1wwt s LEU 68 Ca 0.48 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1wwt s LEU 68 Cb -0.10 -0.68 0.04 0.00 0.50 0.00 0.00 46.19 45.96 1wwt s LEU 68 CO 0.36 -0.01 0.14 -0.70 -1.32 0.00 0.00 176.35 174.82 1wwt s GLU 69 N 0.79 0.03 -0.12 1.98 2.12 -1.05 -1.89 118.70 120.57 1wwt s GLU 69 Ca -0.13 0.47 -0.19 0.00 0.36 0.00 0.00 54.97 55.48 1wwt s GLU 69 Cb -0.15 -0.27 -0.04 0.00 0.26 0.00 0.00 34.13 33.93 1wwt s GLU 69 CO 0.02 -0.26 0.50 -0.51 -0.54 0.00 0.00 175.26 174.47 1wwt s LEU 70 N 1.89 4.27 0.23 2.70 2.01 -1.26 0.20 118.68 128.72 1wwt s LEU 70 Ca -0.01 0.84 -0.03 0.00 0.01 0.00 0.00 54.13 54.94 1wwt s LEU 70 Cb -0.12 -2.73 -0.05 0.00 0.01 0.00 0.00 46.19 43.30 1wwt s LEU 70 CO -0.05 -0.02 0.46 -0.76 1.01 0.00 0.00 176.35 176.99 1wwt s LEU 71 N 0.69 4.16 -0.10 1.79 1.02 0.31 -4.93 118.68 121.61 1wwt s LEU 71 Ca 0.27 0.57 0.11 0.00 0.02 0.00 0.00 54.13 55.10 1wwt s LEU 71 Cb -0.15 -3.35 -0.24 0.00 0.02 0.00 0.00 46.19 42.47 1wwt s LEU 71 CO 0.11 -0.10 0.45 0.29 0.02 0.00 0.00 176.35 177.12 1wwt n LYS 72 N -0.69 0.66 -3.64 1.70 5.02 -1.26 0.45 118.16 120.40 1wwt n LYS 72 Ca -0.03 0.21 -0.03 0.00 -2.02 0.00 0.00 58.31 56.44 1wwt n LYS 72 Cb 0.54 -1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 33.77 1wwt n LYS 72 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1wwt s PHE 73 N -2.56 -0.33 -0.43 2.13 5.36 -1.26 -4.48 117.98 116.41 1wwt s PHE 73 Ca -0.09 0.71 0.07 0.00 -0.96 0.00 0.00 56.93 56.66 1wwt s PHE 73 Cb 0.07 0.32 0.24 0.00 -0.34 0.00 0.00 43.02 43.31 1wwt s PHE 73 CO 0.81 -0.16 0.53 0.39 -1.46 0.00 0.00 175.22 175.33 1wwt n GLU 74 N 2.73 0.89 -2.44 10.12 1.02 -1.26 -5.03 120.64 126.67 1wwt n GLU 74 Ca -0.15 -3.41 -0.02 0.00 -0.02 0.00 0.00 57.16 53.56 1wwt n GLU 74 Cb 0.57 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 1wwt n GLU 74 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wwt n ASP 75 N 1.50 -6.14 -4.57 1.62 -0.08 -1.26 -4.67 116.55 102.96 1wwt n ASP 75 Ca 0.23 1.68 -0.62 0.00 -1.51 0.00 0.00 54.79 54.57 1wwt n ASP 75 Cb 0.51 -5.24 -0.10 0.00 2.34 0.00 0.00 41.12 38.63 1wwt n ASP 75 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1wwt n GLU 76 N 1.79 0.32 -3.85 -0.67 2.13 -1.26 -4.91 120.64 114.19 1wwt n GLU 76 Ca -0.16 0.11 -0.12 0.00 0.66 0.00 0.00 57.16 57.65 1wwt n GLU 76 Cb 0.25 -1.70 -0.10 0.00 0.27 0.00 0.00 31.44 30.15 1wwt n GLU 76 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1wwt s GLU 77 N 4.30 0.42 0.75 5.31 -6.30 -1.26 -5.17 118.70 116.75 1wwt s GLU 77 Ca 1.09 -0.19 -0.07 0.00 -2.50 0.00 0.00 54.97 53.30 1wwt s GLU 77 Cb -1.36 0.18 0.10 0.00 0.00 0.00 0.00 34.13 33.05 1wwt s GLU 77 CO 0.71 -0.09 1.06 0.00 0.02 0.00 0.00 175.26 176.95 1wwt s ALA 78 N -0.94 3.14 0.00 6.30 0.00 -1.26 -4.18 121.76 124.82 1wwt s ALA 78 Ca -0.10 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1wwt s ALA 78 Cb -0.06 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1wwt s ALA 78 CO 0.01 -1.52 0.00 1.04 0.00 0.00 0.00 175.76 175.29 1wwt n GLN 79 N -3.03 0.00 -2.85 0.00 1.13 -1.26 -4.51 117.38 106.86 1wwt n GLN 79 Ca 0.11 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.74 1wwt n GLN 79 Cb 0.60 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.96 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wwt n ALA 80 N 0.00 5.12 -3.54 -1.58 0.00 -1.26 -4.91 120.51 114.33 1wwt n ALA 80 Ca 0.00 -4.65 -0.10 0.00 0.00 0.00 0.00 53.44 48.69 1wwt n ALA 80 Cb 0.00 -2.55 -0.04 0.00 0.00 0.00 0.00 19.45 16.86 1wwt n ALA 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wwt s VAL 81 N -1.70 0.00 -0.32 0.00 0.11 -1.26 -4.75 120.40 112.47 1wwt s VAL 81 Ca 0.34 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.45 1wwt s VAL 81 Cb 0.05 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 34.09 1wwt s VAL 81 CO 0.06 0.00 0.59 -0.47 -3.33 0.00 0.00 175.10 171.96 1wwt s TYR 82 N -1.96 -1.80 0.58 1.54 5.04 -1.26 -5.06 117.35 114.42 1wwt s TYR 82 Ca 0.00 0.83 -0.18 0.00 -2.44 0.00 0.00 57.07 55.29 1wwt s TYR 82 Cb -0.01 0.30 -0.08 0.00 0.35 0.00 0.00 41.96 42.52 1wwt s TYR 82 CO -0.02 -1.11 0.53 0.43 -1.34 0.00 0.00 175.55 174.04 1wwt n SER 83 N 5.14 -1.03 0.00 4.32 7.64 -1.26 -4.71 113.62 123.71 1wwt n SER 83 Ca 0.07 0.73 0.00 0.00 1.01 0.00 0.00 58.87 60.67 1wwt n SER 83 Cb 0.55 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1wwt n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwt n GLY 84 N 1.77 1.67 3.61 0.23 0.00 -1.15 -4.81 105.19 106.52 1wwt n GLY 84 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1wwt n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwt s PRO 85 N 0.00 3.66 -0.29 1.61 0.04 -1.26 -4.92 135.00 133.85 1wwt s PRO 85 Ca 0.00 1.03 -0.04 0.00 0.04 0.00 0.00 61.00 62.03 1wwt s PRO 85 Cb 0.00 -3.99 0.10 0.00 0.04 0.00 0.00 34.50 30.65 1wwt s PRO 85 CO 0.00 -1.45 0.13 0.45 0.04 0.00 0.00 177.00 176.17 1wwt s SER 86 N 3.66 3.52 -0.04 6.66 0.15 -1.26 -5.12 113.70 121.27 1wwt s SER 86 Ca 0.60 -1.28 -0.30 0.00 0.70 0.00 0.00 55.95 55.68 1wwt s SER 86 Cb -0.15 -0.36 0.11 0.00 -1.71 0.00 0.00 66.02 63.92 1wwt s SER 86 CO 0.30 -0.44 0.93 -0.55 1.20 0.00 0.00 173.24 174.68 1wwt s SER 87 N 2.09 -0.35 0.00 5.45 0.15 -1.26 -5.22 113.70 114.57 1wwt s SER 87 Ca 0.09 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.79 1wwt s SER 87 Cb -0.16 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1wwt s SER 87 CO -0.36 -0.55 0.44 0.61 1.20 0.00 0.00 173.24 174.58