#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjn s THR 3 N 0.00 4.71 0.15 6.66 2.01 -1.26 -5.07 115.64 122.84 1sjn s THR 3 Ca 0.00 1.35 0.06 0.00 0.31 0.00 0.00 61.69 63.40 1sjn s THR 3 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1sjn s THR 3 CO 0.00 0.50 0.04 0.42 -0.69 0.00 0.00 174.62 174.90 1sjn s THR 4 N -0.83 4.06 -0.20 -0.82 -4.23 -1.26 -5.11 115.64 107.26 1sjn s THR 4 Ca 0.31 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 1sjn s THR 4 Cb -0.20 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.65 1sjn s THR 4 CO 0.20 -0.04 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.85 1sjn s LEU 5 N -2.80 2.39 0.28 4.79 2.96 -1.26 -4.91 118.68 120.13 1sjn s LEU 5 Ca 0.28 -0.81 -0.29 0.00 -0.22 0.00 0.00 54.13 53.09 1sjn s LEU 5 Cb -0.10 -1.47 -0.10 0.00 0.50 0.00 0.00 46.19 45.02 1sjn s LEU 5 CO 0.20 -0.05 1.24 0.00 -1.32 0.00 0.00 176.35 176.42 1sjn s ALA 6 N 1.26 3.48 -0.05 5.97 0.00 -1.26 -4.95 121.76 126.21 1sjn s ALA 6 Ca 0.02 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 53.05 1sjn s ALA 6 Cb -0.15 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.56 1sjn s ALA 6 CO -0.11 -0.46 0.12 -1.50 0.00 0.00 0.00 175.76 173.81 1sjn s ILE 7 N -0.79 -0.02 -0.17 0.00 2.07 -1.26 -1.79 121.20 119.25 1sjn s ILE 7 Ca 0.50 0.06 -0.02 0.00 -1.41 0.00 0.00 60.65 59.77 1sjn s ILE 7 Cb -0.36 -0.18 -0.01 0.00 0.13 0.00 0.00 42.46 42.03 1sjn s ILE 7 CO 0.45 0.02 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.73 1sjn s VAL 8 N 0.39 3.31 -0.71 4.00 1.01 -0.02 -4.99 120.40 123.39 1sjn s VAL 8 Ca -0.03 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 1sjn s VAL 8 Cb -0.04 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.95 1sjn s VAL 8 CO -0.02 0.49 1.11 -0.13 0.00 0.00 0.00 175.10 176.55 1sjn s ARG 9 N 0.73 3.17 0.29 2.72 0.52 -1.26 -1.56 118.95 123.56 1sjn s ARG 9 Ca -0.04 -0.63 0.08 0.00 -0.52 0.00 0.00 55.73 54.63 1sjn s ARG 9 Cb -0.15 -4.26 0.44 0.00 0.52 0.00 0.00 34.95 31.51 1sjn s ARG 9 CO 0.02 -1.96 1.68 -0.07 0.02 0.00 0.00 175.30 174.98 1sjn h LEU 10 N 12.05 0.14 -8.06 2.53 3.38 -0.82 -3.35 115.31 121.17 1sjn h LEU 10 Ca -0.26 -0.07 -0.71 0.00 0.09 0.00 0.00 57.88 56.93 1sjn h LEU 10 Cb 1.06 -0.04 -0.29 0.00 0.09 0.00 0.00 40.66 41.48 1sjn h LEU 10 CO 1.23 0.61 -0.47 -0.62 0.09 0.00 0.00 178.44 179.28 1sjn s ASP 11 N -6.89 5.59 0.30 -0.43 -1.08 -0.81 -4.98 116.67 108.37 1sjn s ASP 11 Ca -0.03 -1.61 0.25 0.00 -0.52 0.00 0.00 52.55 50.64 1sjn s ASP 11 Cb 0.13 -1.97 1.05 0.00 -1.46 0.00 0.00 42.92 40.67 1sjn s ASP 11 CO 0.77 -0.56 1.75 1.55 0.52 0.00 0.00 175.17 179.20 1sjn h PRO 12 N 8.37 0.00 -0.37 4.34 0.13 -1.89 -3.05 132.00 139.53 1sjn h PRO 12 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1sjn h PRO 12 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1sjn h PRO 12 CO 0.76 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 1sjn n GLY 13 N -0.01 0.61 3.62 1.56 0.00 -1.26 -4.84 105.19 104.87 1sjn n GLY 13 Ca 0.02 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 1sjn n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sjn s LEU 14 N -1.01 3.18 0.72 0.99 1.43 -1.15 -5.06 118.68 117.77 1sjn s LEU 14 Ca 0.19 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 1sjn s LEU 14 Cb 0.11 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.45 1sjn s LEU 14 CO 0.12 0.14 1.12 -2.84 0.23 0.00 0.00 176.35 175.12 1sjn s PRO 15 N -2.53 2.44 0.26 1.29 0.02 -1.26 -4.97 135.00 130.24 1sjn s PRO 15 Ca 0.24 1.40 -0.30 0.00 0.02 0.00 0.00 61.00 62.37 1sjn s PRO 15 Cb -0.10 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.41 1sjn s PRO 15 CO 0.16 -1.54 1.40 -1.17 -0.33 0.00 0.00 177.00 175.53 1sjn s LEU 16 N -5.29 4.39 0.40 -5.54 2.96 -1.26 -4.94 118.68 109.41 1sjn s LEU 16 Ca 0.67 2.64 -0.24 0.00 -0.22 0.00 0.00 54.13 56.98 1sjn s LEU 16 Cb -0.21 -3.63 -0.11 0.00 0.50 0.00 0.00 46.19 42.74 1sjn s LEU 16 CO 0.47 -0.66 0.91 -2.65 -1.32 0.00 0.00 176.35 173.10 1sjn n PRO 17 N 2.10 1.15 -4.07 0.98 -0.02 -1.26 -5.00 135.00 128.89 1sjn n PRO 17 Ca 0.06 0.41 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 1sjn n PRO 17 Cb 0.41 -1.89 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 1sjn n PRO 17 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sjn s SER 18 N -0.77 0.11 -0.17 2.55 1.04 -1.26 -4.91 113.70 110.29 1sjn s SER 18 Ca 0.63 -1.08 -0.24 0.00 0.48 0.00 0.00 55.95 55.73 1sjn s SER 18 Cb -0.59 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 1sjn s SER 18 CO 0.57 -0.88 0.78 -0.60 0.98 0.00 0.00 173.24 174.09 1sjn s ARG 19 N -4.04 4.28 0.31 4.02 3.52 -1.26 -2.06 118.95 123.72 1sjn s ARG 19 Ca 0.25 0.92 0.08 0.00 -0.13 0.00 0.00 55.73 56.84 1sjn s ARG 19 Cb 0.05 -3.57 0.51 0.00 -1.56 0.00 0.00 34.95 30.37 1sjn s ARG 19 CO 0.05 -0.29 1.72 0.00 -0.81 0.00 0.00 175.30 175.97 1sjn h ALA 20 N 7.35 1.16 -2.53 6.12 0.00 -1.94 -3.44 119.26 125.97 1sjn h ALA 20 Ca -0.30 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 1sjn h ALA 20 Cb 1.14 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.68 1sjn h ALA 20 CO 0.82 0.57 -0.48 -1.01 0.00 0.00 0.00 179.25 179.15 1sjn s HIS 21 N -4.13 0.20 0.34 0.00 3.76 -1.26 -5.10 115.29 109.09 1sjn s HIS 21 Ca -0.04 -0.54 -0.29 0.00 -0.15 0.00 0.00 55.06 54.04 1sjn s HIS 21 Cb 0.14 -0.13 -0.11 0.00 1.11 0.00 0.00 32.58 33.59 1sjn s HIS 21 CO 0.76 -0.42 1.52 -0.51 -0.85 0.00 0.00 174.74 175.24 1sjn s ASP 22 N -2.38 6.38 0.00 1.40 1.01 -1.26 -1.32 116.67 120.50 1sjn s ASP 22 Ca -0.01 2.98 0.00 0.00 0.71 0.00 0.00 52.55 56.23 1sjn s ASP 22 Cb 0.01 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.29 1sjn s ASP 22 CO -0.07 -0.87 0.00 0.61 0.21 0.00 0.00 175.17 175.05 1sjn n GLY 23 N 1.21 2.16 3.77 0.21 0.00 -1.26 -5.02 105.19 106.26 1sjn n GLY 23 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1sjn n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sjn s ASP 24 N -3.56 6.46 0.26 1.61 1.01 -0.43 -4.91 116.67 117.10 1sjn s ASP 24 Ca 0.00 2.54 0.05 0.00 0.71 0.00 0.00 52.55 55.86 1sjn s ASP 24 Cb 0.00 -2.63 0.32 0.00 1.01 0.00 0.00 42.92 41.62 1sjn s ASP 24 CO 0.00 -0.74 1.61 0.00 0.21 0.00 0.00 175.17 176.25 1sjn h ALA 25 N 2.78 0.94 -2.77 5.23 0.00 -1.95 -3.46 119.26 120.02 1sjn h ALA 25 Ca -0.49 -0.50 -0.60 0.00 0.00 0.00 0.00 54.91 53.32 1sjn h ALA 25 Cb 1.24 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 1sjn h ALA 25 CO 0.63 0.68 -0.68 0.20 0.00 0.00 0.00 179.25 180.08 1sjn s GLY 26 N -4.29 1.71 -0.12 0.00 0.00 -1.26 -4.49 107.32 98.86 1sjn s GLY 26 Ca -0.04 -1.48 -0.07 0.00 0.00 0.00 0.00 44.72 43.13 1sjn s GLY 26 CO 0.79 -1.51 0.12 -1.34 0.00 0.00 0.00 173.10 171.16 1sjn s VAL 27 N -1.86 5.38 0.00 1.40 -7.23 -0.36 -4.48 120.40 113.25 1sjn s VAL 27 Ca 0.27 0.16 -0.29 0.00 -1.81 0.00 0.00 61.98 60.31 1sjn s VAL 27 Cb -0.08 -3.34 -0.03 0.00 0.56 0.00 0.00 36.38 33.48 1sjn s VAL 27 CO 0.17 0.60 0.95 -1.81 -0.31 0.00 0.00 175.10 174.70 1sjn s ASP 28 N -0.90 7.34 0.05 4.85 1.01 -0.87 -0.47 116.67 127.67 1sjn s ASP 28 Ca 0.14 1.62 -0.20 0.00 0.71 0.00 0.00 52.55 54.82 1sjn s ASP 28 Cb -0.12 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.20 1sjn s ASP 28 CO 0.03 -0.22 0.59 -0.76 0.21 0.00 0.00 175.17 175.03 1sjn s LEU 29 N 0.87 4.48 0.25 1.23 1.43 0.05 -4.18 118.68 122.82 1sjn s LEU 29 Ca 0.50 1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 54.73 1sjn s LEU 29 Cb -0.21 -2.93 -0.08 0.00 0.03 0.00 0.00 46.19 43.00 1sjn s LEU 29 CO 0.27 0.20 0.59 -0.31 0.23 0.00 0.00 176.35 177.33 1sjn s TYR 30 N -0.71 3.42 0.04 0.29 1.51 -1.26 -1.11 117.35 119.52 1sjn s TYR 30 Ca 0.30 0.95 -0.27 0.00 -1.01 0.00 0.00 57.07 57.04 1sjn s TYR 30 Cb -0.19 -2.32 -0.05 0.00 -0.11 0.00 0.00 41.96 39.29 1sjn s TYR 30 CO 0.19 0.23 0.87 0.45 -1.11 0.00 0.00 175.55 176.18 1sjn s SER 31 N -2.33 7.30 0.00 2.29 0.15 0.14 -4.18 113.70 117.08 1sjn s SER 31 Ca 0.49 1.57 0.29 0.00 0.70 0.00 0.00 55.95 58.99 1sjn s SER 31 Cb -0.11 -2.52 1.20 0.00 -1.71 0.00 0.00 66.02 62.88 1sjn s SER 31 CO 0.20 -0.09 1.87 0.00 1.20 0.00 0.00 173.24 176.42 1sjn n ALA 32 N 3.19 2.67 -2.12 5.45 0.00 -0.27 -0.95 120.51 128.47 1sjn n ALA 32 Ca 0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 1sjn n ALA 32 Cb 0.50 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 1sjn n ALA 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1sjn s GLU 33 N -2.73 0.71 -0.09 0.00 -1.05 -1.26 -4.78 118.70 109.49 1sjn s GLU 33 Ca 0.22 -1.27 -0.12 0.00 -0.15 0.00 0.00 54.97 53.65 1sjn s GLU 33 Cb 0.19 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 34.06 1sjn s GLU 33 CO 0.52 -0.16 0.28 -0.51 0.95 0.00 0.00 175.26 176.34 1sjn s ASP 34 N -2.95 6.55 -0.10 0.83 1.01 -1.26 -2.08 116.67 118.66 1sjn s ASP 34 Ca 0.12 0.65 -0.11 0.00 0.71 0.00 0.00 52.55 53.91 1sjn s ASP 34 Cb 0.08 -2.16 0.03 0.00 1.01 0.00 0.00 42.92 41.87 1sjn s ASP 34 CO -0.07 0.29 0.31 -0.69 0.21 0.00 0.00 175.17 175.22 1sjn s VAL 35 N -0.61 0.01 -0.13 -1.27 1.01 -0.45 -4.95 120.40 114.01 1sjn s VAL 35 Ca 0.18 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1sjn s VAL 35 Cb -0.14 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1sjn s VAL 35 CO 0.07 -0.06 -0.22 -0.70 0.00 0.00 0.00 175.10 174.19 1sjn s GLU 36 N -0.15 3.04 -0.26 2.72 2.12 -1.26 -1.08 118.70 123.82 1sjn s GLU 36 Ca -0.03 -0.86 -0.03 0.00 0.36 0.00 0.00 54.97 54.41 1sjn s GLU 36 Cb -0.03 -2.40 0.02 0.00 0.26 0.00 0.00 34.13 31.98 1sjn s GLU 36 CO 0.01 0.05 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.26 1sjn s LEU 37 N 0.66 3.40 0.71 2.70 1.43 0.20 -4.97 118.68 122.81 1sjn s LEU 37 Ca -0.11 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.08 1sjn s LEU 37 Cb -0.16 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1sjn s LEU 37 CO 0.02 -0.14 1.07 0.00 0.23 0.00 0.00 176.35 177.53 1sjn s ALA 38 N 1.39 2.54 0.05 4.21 0.00 -1.26 -0.89 121.76 127.79 1sjn s ALA 38 Ca 0.01 0.21 -0.38 0.00 0.00 0.00 0.00 51.96 51.80 1sjn s ALA 38 Cb -0.17 -3.22 -0.18 0.00 0.00 0.00 0.00 23.12 19.55 1sjn s ALA 38 CO -0.02 -1.36 1.29 -2.30 0.00 0.00 0.00 175.76 173.37 1sjn n PRO 39 N -3.09 0.84 -0.52 0.00 -0.02 -1.26 -1.40 135.00 129.55 1sjn n PRO 39 Ca 0.08 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1sjn n PRO 39 Cb 0.53 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1sjn n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sjn n GLY 40 N 2.33 1.24 3.93 -1.23 0.00 0.33 -5.01 105.19 106.78 1sjn n GLY 40 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1sjn n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sjn s ARG 41 N -0.18 3.48 0.17 1.61 1.81 -0.49 -4.79 118.95 120.55 1sjn s ARG 41 Ca 0.00 -0.17 0.06 0.00 -1.72 0.00 0.00 55.73 53.89 1sjn s ARG 41 Cb 0.00 -2.57 -0.05 0.00 -0.45 0.00 0.00 34.95 31.89 1sjn s ARG 41 CO 0.00 0.02 -0.12 -0.98 -0.68 0.00 0.00 175.30 173.54 1sjn s ARG 42 N -4.46 1.16 0.02 3.54 1.70 -1.26 -1.75 118.95 117.90 1sjn s ARG 42 Ca 0.43 -1.50 -0.10 0.00 -0.47 0.00 0.00 55.73 54.09 1sjn s ARG 42 Cb -0.10 -0.81 0.01 0.00 -0.57 0.00 0.00 34.95 33.48 1sjn s ARG 42 CO 0.39 0.12 0.20 0.00 -1.08 0.00 0.00 175.30 174.92 1sjn s ALA 43 N -3.18 -0.43 -0.38 7.88 0.00 0.08 -4.99 121.76 120.73 1sjn s ALA 43 Ca 0.19 -0.12 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 1sjn s ALA 43 Cb 0.01 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1sjn s ALA 43 CO 0.03 -0.29 0.26 -1.17 0.00 0.00 0.00 175.76 174.59 1sjn s LEU 44 N -1.70 4.86 -0.18 0.00 2.96 -1.26 -1.38 118.68 121.98 1sjn s LEU 44 Ca -0.10 -0.85 -0.05 0.00 -0.22 0.00 0.00 54.13 52.91 1sjn s LEU 44 Cb -0.04 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1sjn s LEU 44 CO -0.00 -0.39 0.01 -0.69 -1.32 0.00 0.00 176.35 173.96 1sjn s VAL 45 N 1.64 4.21 0.25 1.68 1.01 0.39 -4.87 120.40 124.71 1sjn s VAL 45 Ca 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1sjn s VAL 45 Cb -0.19 -2.89 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 1sjn s VAL 45 CO 0.09 0.45 1.15 -0.13 0.00 0.00 0.00 175.10 176.66 1sjn s ARG 46 N 0.62 4.56 0.00 2.72 0.52 -1.26 -0.49 118.95 125.62 1sjn s ARG 46 Ca 0.00 1.86 0.22 0.00 -0.52 0.00 0.00 55.73 57.29 1sjn s ARG 46 Cb -0.14 -3.20 -0.08 0.00 0.52 0.00 0.00 34.95 32.05 1sjn s ARG 46 CO 0.02 0.07 1.02 0.25 0.02 0.00 0.00 175.30 176.68 1sjn n THR 47 N 1.66 0.00 -0.99 0.02 -2.24 -1.01 -1.12 114.28 110.60 1sjn n THR 47 Ca 0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1sjn n THR 47 Cb 0.45 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 1sjn n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sjn n GLY 48 N 1.45 0.47 3.18 3.38 0.00 -1.26 -4.48 105.19 107.94 1sjn n GLY 48 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 1sjn n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sjn s VAL 49 N -2.04 0.97 0.03 1.61 -7.23 -1.26 -0.06 120.40 112.41 1sjn s VAL 49 Ca 0.00 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 58.60 1sjn s VAL 49 Cb 0.00 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 1sjn s VAL 49 CO 0.00 -0.53 -0.14 0.00 -0.31 0.00 0.00 175.10 174.12 1sjn s ALA 50 N -2.34 1.14 0.22 1.32 0.00 -0.60 -1.07 121.76 120.42 1sjn s ALA 50 Ca 0.05 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1sjn s ALA 50 Cb -0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1sjn s ALA 50 CO 0.00 0.22 -0.03 0.14 0.00 0.00 0.00 175.76 176.09 1sjn s VAL 51 N -0.75 1.13 -0.64 0.00 -7.23 -1.26 -0.84 120.40 110.81 1sjn s VAL 51 Ca 0.02 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1sjn s VAL 51 Cb -0.07 -2.23 0.16 0.00 0.56 0.00 0.00 36.38 34.79 1sjn s VAL 51 CO 0.01 -0.42 0.41 0.00 -0.31 0.00 0.00 175.10 174.79 1sjn s ALA 52 N -3.35 3.63 0.10 1.32 0.00 -0.74 -4.50 121.76 118.21 1sjn s ALA 52 Ca 0.26 -3.60 -0.31 0.00 0.00 0.00 0.00 51.96 48.31 1sjn s ALA 52 Cb 0.05 -2.21 -0.09 0.00 0.00 0.00 0.00 23.12 20.86 1sjn s ALA 52 CO 0.07 -2.07 1.69 0.08 0.00 0.00 0.00 175.76 175.53 1sjn s VAL 53 N -0.94 2.84 0.50 0.00 1.01 -1.26 -4.43 120.40 118.12 1sjn s VAL 53 Ca 0.22 0.36 -0.23 0.00 0.00 0.00 0.00 61.98 62.32 1sjn s VAL 53 Cb -0.14 -3.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1sjn s VAL 53 CO -0.09 0.00 1.34 -2.84 0.00 0.00 0.00 175.10 173.51 1sjn s PRO 54 N 2.47 3.43 0.19 2.72 0.02 -1.26 -4.36 135.00 138.21 1sjn s PRO 54 Ca 0.75 2.21 -0.33 0.00 0.02 0.00 0.00 61.00 63.65 1sjn s PRO 54 Cb -0.42 -2.42 -0.14 0.00 0.02 0.00 0.00 34.50 31.54 1sjn s PRO 54 CO 0.33 -0.95 1.44 0.34 -0.33 0.00 0.00 177.00 177.83 1sjn n PHE 55 N -0.65 2.08 -0.12 6.54 7.35 -1.26 -1.01 117.46 130.39 1sjn n PHE 55 Ca 0.08 0.41 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1sjn n PHE 55 Cb 0.45 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 37.81 1sjn n PHE 55 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1sjn n GLY 56 N 2.63 0.64 3.53 7.13 0.00 -1.26 -5.06 105.19 112.79 1sjn n GLY 56 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1sjn n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sjn s MET 57 N -0.78 1.85 -0.03 1.61 -1.94 -0.18 -1.59 119.30 118.24 1sjn s MET 57 Ca 0.00 -2.09 -0.04 0.00 -1.71 0.00 0.00 55.69 51.85 1sjn s MET 57 Cb 0.00 -0.94 0.01 0.00 2.01 0.00 0.00 34.83 35.90 1sjn s MET 57 CO 0.00 -0.30 0.10 0.54 -0.01 0.00 0.00 175.02 175.35 1sjn s VAL 58 N -3.16 0.02 0.02 -6.03 0.11 -0.17 -4.30 120.40 106.90 1sjn s VAL 58 Ca 0.28 -0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 59.02 1sjn s VAL 58 Cb 0.06 -0.21 -0.06 0.00 -1.53 0.00 0.00 36.38 34.65 1sjn s VAL 58 CO 0.14 -0.10 0.38 -0.83 -3.33 0.00 0.00 175.10 171.36 1sjn s GLY 59 N -0.30 2.40 -0.07 6.54 0.00 -0.30 -1.69 107.32 113.90 1sjn s GLY 59 Ca -0.04 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.38 1sjn s GLY 59 CO 0.00 -0.01 -0.08 1.08 0.00 0.00 0.00 173.10 174.10 1sjn s LEU 60 N -1.38 1.32 -0.32 0.66 1.43 0.53 -0.70 118.68 120.22 1sjn s LEU 60 Ca 0.26 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 1sjn s LEU 60 Cb -0.15 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1sjn s LEU 60 CO 0.14 -0.06 0.25 -0.69 0.23 0.00 0.00 176.35 176.23 1sjn s VAL 61 N 1.17 5.27 0.11 -1.59 1.01 0.03 -1.03 120.40 125.37 1sjn s VAL 61 Ca -0.06 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 61.97 1sjn s VAL 61 Cb -0.14 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1sjn s VAL 61 CO -0.02 0.05 -0.18 -1.00 0.00 0.00 0.00 175.10 173.96 1sjn s HIS 62 N 1.79 2.54 0.59 5.22 3.76 0.11 -1.19 115.29 128.11 1sjn s HIS 62 Ca 0.08 -0.26 -0.17 0.00 -0.15 0.00 0.00 55.06 54.55 1sjn s HIS 62 Cb -0.17 -1.36 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 1sjn s HIS 62 CO 0.11 0.37 1.10 -2.14 -0.85 0.00 0.00 174.74 173.33 1sjn s PRO 63 N -2.06 3.17 0.10 8.40 0.02 -1.26 -0.85 135.00 142.52 1sjn s PRO 63 Ca 0.17 1.42 -0.28 0.00 0.02 0.00 0.00 61.00 62.33 1sjn s PRO 63 Cb -0.11 -2.00 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 1sjn s PRO 63 CO 0.09 -0.96 0.87 1.03 -0.33 0.00 0.00 177.00 177.70 1sjn s ARG 64 N -3.76 4.62 0.27 5.54 0.52 -1.26 -4.75 118.95 120.12 1sjn s ARG 64 Ca 0.68 1.28 -0.02 0.00 -0.52 0.00 0.00 55.73 57.14 1sjn s ARG 64 Cb -0.20 -3.35 0.35 0.00 0.52 0.00 0.00 34.95 32.27 1sjn s ARG 64 CO 0.34 0.30 1.81 0.66 0.02 0.00 0.00 175.30 178.43 1sjn h SER 65 N 5.37 0.83 0.33 0.23 4.64 -1.96 -2.73 113.55 120.26 1sjn h SER 65 Ca -0.44 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 60.72 1sjn h SER 65 Cb 1.21 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1sjn h SER 65 CO 0.71 0.81 -0.16 1.23 -0.87 0.00 0.00 176.83 178.54 1sjn h GLY 66 N 1.00 -0.46 1.83 -0.77 0.00 -1.99 -1.11 103.07 101.58 1sjn h GLY 66 Ca 0.19 0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.58 1sjn h GLY 66 CO -0.00 -0.17 -0.45 1.41 0.00 0.00 0.00 176.54 177.33 1sjn h LEU 67 N -0.45 0.19 -0.25 3.11 3.38 -1.92 -0.09 115.31 119.29 1sjn h LEU 67 Ca -0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1sjn h LEU 67 Cb 0.34 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1sjn h LEU 67 CO 0.07 0.62 0.09 0.00 0.09 0.00 0.00 178.44 179.31 1sjn h ALA 68 N 1.39 0.32 0.08 1.53 0.00 -1.25 -1.59 119.26 119.74 1sjn h ALA 68 Ca 0.01 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 1sjn h ALA 68 Cb 0.85 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.57 1sjn h ALA 68 CO 0.07 -0.06 -0.98 0.00 0.00 0.00 0.00 179.25 178.27 1sjn h THR 69 N 0.24 1.36 -0.08 0.00 1.03 -1.01 -2.14 112.91 112.31 1sjn h THR 69 Ca 0.08 -2.35 -0.22 0.00 -0.01 0.00 0.00 66.41 63.92 1sjn h THR 69 Cb 0.22 2.72 0.00 0.00 -1.07 0.00 0.00 68.15 70.02 1sjn h THR 69 CO -0.00 0.70 -0.82 -0.09 -0.01 0.00 0.00 175.52 175.29 1sjn h ARG 70 N 0.08 0.58 0.00 0.00 2.43 -1.04 -3.38 114.38 113.06 1sjn h ARG 70 Ca -0.15 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 1sjn h ARG 70 Cb 1.69 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1sjn h ARG 70 CO 0.19 1.14 0.00 1.33 -1.51 0.00 0.00 179.97 181.12 1sjn n VAL 71 N -3.86 0.00 -1.68 0.20 0.24 -0.63 -5.02 118.33 107.58 1sjn n VAL 71 Ca -0.07 -0.31 -0.02 0.00 -2.04 0.00 0.00 64.34 61.90 1sjn n VAL 71 Cb 0.76 1.35 -0.00 0.00 -1.47 0.00 0.00 33.84 34.48 1sjn n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sjn n GLY 72 N 0.05 0.38 3.70 7.63 0.00 -0.80 -4.29 105.19 111.86 1sjn n GLY 72 Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1sjn n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sjn s LEU 73 N -0.58 4.31 0.00 0.99 2.96 -1.04 -1.20 118.68 124.13 1sjn s LEU 73 Ca 0.00 1.87 0.07 0.00 -0.22 0.00 0.00 54.13 55.85 1sjn s LEU 73 Cb 0.00 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 1sjn s LEU 73 CO 0.00 -0.52 0.25 -0.24 -1.32 0.00 0.00 176.35 174.51 1sjn n SER 74 N 4.70 -0.25 -3.99 3.68 2.88 -0.11 -3.77 113.62 116.76 1sjn n SER 74 Ca 0.10 -3.15 -0.27 0.00 -1.33 0.00 0.00 58.87 54.22 1sjn n SER 74 Cb 0.47 1.50 -0.17 0.00 -0.75 0.00 0.00 64.21 65.26 1sjn n SER 74 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1sjn s ILE 75 N -3.27 1.24 0.19 2.46 1.01 -1.26 -1.16 121.20 120.41 1sjn s ILE 75 Ca 0.35 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.40 1sjn s ILE 75 Cb 0.02 -1.18 0.10 0.00 0.01 0.00 0.00 42.46 41.41 1sjn s ILE 75 CO 0.25 0.39 1.81 0.58 0.00 0.00 0.00 174.94 177.97 1sjn h VAL 76 N 6.05 1.19 -0.79 2.92 2.07 -1.33 -2.76 116.25 123.60 1sjn h VAL 76 Ca -0.31 -0.45 -0.29 0.00 0.82 0.00 0.00 66.70 66.47 1sjn h VAL 76 Cb 1.16 0.34 -0.17 0.00 -1.52 0.00 0.00 31.29 31.10 1sjn h VAL 76 CO 0.46 0.20 0.36 -0.46 0.02 0.00 0.00 177.57 178.15 1sjn n ASN 77 N -4.58 4.50 -4.76 0.57 6.94 -1.26 -5.00 115.26 111.68 1sjn n ASN 77 Ca 0.05 -3.34 -0.41 0.00 -0.02 0.00 0.00 54.58 50.86 1sjn n ASN 77 Cb 0.07 -0.77 -0.02 0.00 -2.36 0.00 0.00 39.78 36.71 1sjn n ASN 77 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1sjn s SER 78 N -1.16 6.56 0.03 0.53 0.15 -1.04 -2.78 113.70 115.98 1sjn s SER 78 Ca 0.55 2.81 -0.29 0.00 0.70 0.00 0.00 55.95 59.72 1sjn s SER 78 Cb 0.45 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1sjn s SER 78 CO 0.12 -0.75 0.95 -2.16 1.20 0.00 0.00 173.24 172.61 1sjn s PRO 79 N -1.04 4.59 0.15 5.44 0.04 -1.26 -5.09 135.00 137.83 1sjn s PRO 79 Ca 0.57 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.68 1sjn s PRO 79 Cb -0.44 -3.43 -0.08 0.00 0.04 0.00 0.00 34.50 30.59 1sjn s PRO 79 CO 0.50 0.04 1.29 0.20 0.04 0.00 0.00 177.00 179.07 1sjn s GLY 80 N 0.69 2.36 -0.29 0.56 0.00 -0.34 -4.80 107.32 105.50 1sjn s GLY 80 Ca 0.49 1.03 -0.11 0.00 0.00 0.00 0.00 44.72 46.14 1sjn s GLY 80 CO 0.28 2.10 0.18 -1.59 0.00 0.00 0.00 173.10 174.07 1sjn s THR 81 N 0.52 5.10 -0.37 0.90 2.01 -1.26 -0.79 115.64 121.75 1sjn s THR 81 Ca 0.58 -0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.45 1sjn s THR 81 Cb -0.35 -3.49 0.03 0.00 0.01 0.00 0.00 72.50 68.70 1sjn s THR 81 CO 0.34 0.18 0.21 -0.63 -0.69 0.00 0.00 174.62 174.03 1sjn s ILE 82 N 1.72 4.56 0.47 1.82 -1.09 0.12 -4.99 121.20 123.82 1sjn s ILE 82 Ca 0.06 -0.86 -0.17 0.00 -2.23 0.00 0.00 60.65 57.45 1sjn s ILE 82 Cb -0.16 -3.55 -0.09 0.00 -1.58 0.00 0.00 42.46 37.08 1sjn s ILE 82 CO 0.09 -0.23 0.94 -1.81 -1.23 0.00 0.00 174.94 172.70 1sjn s ASP 83 N 1.55 6.70 0.54 3.58 1.01 -1.26 -1.15 116.67 127.63 1sjn s ASP 83 Ca 0.02 1.54 0.23 0.00 0.71 0.00 0.00 52.55 55.05 1sjn s ASP 83 Cb -0.19 -2.49 1.40 0.00 1.01 0.00 0.00 42.92 42.64 1sjn s ASP 83 CO 0.07 -0.50 2.07 0.00 0.21 0.00 0.00 175.17 177.02 1sjn h ALA 84 N 1.25 2.21 -0.00 5.23 0.00 -1.76 -1.64 119.26 124.56 1sjn h ALA 84 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sjn h ALA 84 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1sjn h ALA 84 CO 0.62 -0.37 -0.06 0.41 0.00 0.00 0.00 179.25 179.85 1sjn n GLY 85 N -1.57 -1.29 3.74 0.00 0.00 -1.26 -4.41 105.19 100.40 1sjn n GLY 85 Ca 0.04 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1sjn n GLY 85 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sjn s TYR 86 N -2.74 3.71 -0.01 1.61 5.04 -0.62 -4.93 117.35 119.42 1sjn s TYR 86 Ca 0.22 1.48 0.02 0.00 -2.44 0.00 0.00 57.07 56.36 1sjn s TYR 86 Cb 0.20 -2.86 0.03 0.00 0.35 0.00 0.00 41.96 39.68 1sjn s TYR 86 CO 0.51 0.22 0.82 0.54 -1.34 0.00 0.00 175.55 176.30 1sjn n ARG 87 N 3.02 1.24 -2.02 4.97 5.12 -1.26 -4.62 116.66 123.11 1sjn n ARG 87 Ca -0.01 -1.16 -0.27 0.00 -1.93 0.00 0.00 57.85 54.48 1sjn n ARG 87 Cb 0.50 -0.79 0.18 0.00 -1.16 0.00 0.00 32.46 31.19 1sjn n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sjn n GLY 88 N -0.34 -0.97 3.76 -0.13 0.00 -1.26 -4.79 105.19 101.45 1sjn n GLY 88 Ca 0.02 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 1sjn n GLY 88 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sjn s GLU 89 N -5.65 4.60 0.00 1.61 2.12 -1.26 -4.29 118.70 115.83 1sjn s GLU 89 Ca 0.72 1.79 -0.30 0.00 0.36 0.00 0.00 54.97 57.53 1sjn s GLU 89 Cb -0.02 -3.14 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 1sjn s GLU 89 CO 0.50 0.18 1.22 0.42 -0.54 0.00 0.00 175.26 177.04 1sjn s ILE 90 N -1.20 4.10 0.06 -3.70 1.01 -0.23 -4.98 121.20 116.26 1sjn s ILE 90 Ca 0.45 1.47 0.09 0.00 0.00 0.00 0.00 60.65 62.66 1sjn s ILE 90 Cb -0.31 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 1sjn s ILE 90 CO 0.40 0.05 -0.25 -0.54 0.00 0.00 0.00 174.94 174.60 1sjn s LYS 91 N 1.75 1.59 -0.14 2.79 1.02 -1.26 -2.39 119.74 123.09 1sjn s LYS 91 Ca 0.58 -1.12 0.02 0.00 0.02 0.00 0.00 55.97 55.47 1sjn s LYS 91 Cb -0.28 -1.82 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1sjn s LYS 91 CO 0.26 0.46 -0.21 0.08 -0.92 0.00 0.00 175.35 175.02 1sjn s VAL 92 N -0.87 2.19 -1.24 3.17 1.01 0.36 -4.89 120.40 120.12 1sjn s VAL 92 Ca 0.11 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1sjn s VAL 92 Cb -0.10 -1.88 0.17 0.00 0.00 0.00 0.00 36.38 34.57 1sjn s VAL 92 CO 0.03 0.54 1.61 0.00 0.00 0.00 0.00 175.10 177.28 1sjn n ALA 93 N 3.99 4.41 -1.77 5.51 0.00 -1.26 -0.46 120.51 130.94 1sjn n ALA 93 Ca -0.20 -4.26 -0.38 0.00 0.00 0.00 0.00 53.44 48.61 1sjn n ALA 93 Cb 0.52 -3.05 -0.00 0.00 0.00 0.00 0.00 19.45 16.92 1sjn n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sjn s LEU 94 N 1.04 4.02 -0.02 0.00 1.43 -0.48 -0.88 118.68 123.79 1sjn s LEU 94 Ca 0.42 2.41 -0.02 0.00 -1.03 0.00 0.00 54.13 55.91 1sjn s LEU 94 Cb 0.02 -4.20 0.00 0.00 0.03 0.00 0.00 46.19 42.04 1sjn s LEU 94 CO 0.00 -1.00 0.05 -0.51 0.23 0.00 0.00 176.35 175.13 1sjn s ILE 95 N -1.47 0.01 -0.53 -0.59 2.07 -0.31 -0.74 121.20 119.64 1sjn s ILE 95 Ca 0.64 -0.06 -0.19 0.00 -1.41 0.00 0.00 60.65 59.62 1sjn s ILE 95 Cb -0.31 -0.10 0.07 0.00 0.13 0.00 0.00 42.46 42.24 1sjn s ILE 95 CO 0.38 -0.03 0.67 0.21 -1.91 0.00 0.00 174.94 174.26 1sjn s ASN 96 N -0.08 6.22 0.00 4.50 3.84 -0.71 -0.93 114.94 127.78 1sjn s ASN 96 Ca -0.01 -0.97 0.27 0.00 0.21 0.00 0.00 52.86 52.36 1sjn s ASN 96 Cb -0.01 -2.30 1.03 0.00 -0.55 0.00 0.00 41.25 39.42 1sjn s ASN 96 CO 0.00 -0.97 1.73 0.18 -2.79 0.00 0.00 177.10 175.26 1sjn n LEU 97 N 6.31 1.49 -4.76 3.21 4.77 -0.34 -0.51 117.00 127.17 1sjn n LEU 97 Ca -0.06 -0.51 -0.40 0.00 -0.03 0.00 0.00 56.01 55.00 1sjn n LEU 97 Cb 0.45 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1sjn n LEU 97 CO 0.56 0.26 0.83 -0.62 -1.33 0.00 0.00 177.39 177.09 1sjn s ASP 98 N -1.95 7.09 0.40 -1.43 2.15 -1.26 -4.90 116.67 116.77 1sjn s ASP 98 Ca 0.37 2.36 0.28 0.00 0.43 0.00 0.00 52.55 56.00 1sjn s ASP 98 Cb 0.21 -2.63 1.10 0.00 -0.30 0.00 0.00 42.92 41.30 1sjn s ASP 98 CO 0.33 -0.28 1.84 -0.65 -0.17 0.00 0.00 175.17 176.24 1sjn h PRO 99 N 3.59 0.00 0.00 4.34 0.11 -1.95 -3.34 132.00 134.75 1sjn h PRO 99 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sjn h PRO 99 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1sjn h PRO 99 CO 0.66 0.00 -0.23 0.00 -0.21 0.00 0.00 178.00 178.22 1sjn n ALA 100 N -1.94 1.85 -2.66 -0.75 0.00 -1.26 -4.86 120.51 110.89 1sjn n ALA 100 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.09 1sjn n ALA 100 Cb 0.30 0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 1sjn n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjn s ALA 101 N -1.23 3.61 0.73 0.00 0.00 -1.26 -4.77 121.76 118.85 1sjn s ALA 101 Ca 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1sjn s ALA 101 Cb 0.00 -2.32 0.04 0.00 0.00 0.00 0.00 23.12 20.84 1sjn s ALA 101 CO 0.00 -0.18 1.15 -2.14 0.00 0.00 0.00 175.76 174.58 1sjn s PRO 102 N 1.04 2.28 -0.11 0.00 0.02 -1.26 -4.53 135.00 132.43 1sjn s PRO 102 Ca 0.08 1.51 0.00 0.00 0.02 0.00 0.00 61.00 62.61 1sjn s PRO 102 Cb -0.13 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 1sjn s PRO 102 CO 0.04 -1.68 -0.12 0.42 -0.33 0.00 0.00 177.00 175.34 1sjn s ILE 103 N -2.32 3.20 -0.19 2.83 1.01 -0.07 -4.97 121.20 120.69 1sjn s ILE 103 Ca 0.69 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 1sjn s ILE 103 Cb -0.23 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1sjn s ILE 103 CO 0.47 0.54 0.06 -0.69 0.00 0.00 0.00 174.94 175.32 1sjn s VAL 104 N 0.03 4.66 -0.08 2.92 1.01 -1.26 -0.63 120.40 127.05 1sjn s VAL 104 Ca -0.04 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1sjn s VAL 104 Cb -0.14 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 1sjn s VAL 104 CO 0.04 0.43 -0.22 -0.69 0.00 0.00 0.00 175.10 174.66 1sjn s VAL 105 N 0.63 1.89 0.05 2.92 1.01 -0.24 -5.03 120.40 121.63 1sjn s VAL 105 Ca 0.03 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1sjn s VAL 105 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1sjn s VAL 105 CO 0.02 0.52 -0.06 -1.00 0.00 0.00 0.00 175.10 174.58 1sjn s HIS 106 N 0.25 2.88 -0.16 5.22 3.76 -1.26 -1.34 115.29 124.63 1sjn s HIS 106 Ca -0.14 -0.06 -0.42 0.00 -0.15 0.00 0.00 55.06 54.29 1sjn s HIS 106 Cb -0.16 -1.55 -0.19 0.00 1.11 0.00 0.00 32.58 31.78 1sjn s HIS 106 CO 0.07 0.42 1.30 -2.13 -0.85 0.00 0.00 174.74 173.54 1sjn n ARG 107 N 1.10 0.18 0.00 1.40 0.63 -0.89 -1.92 116.66 117.17 1sjn n ARG 107 Ca -0.14 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1sjn n ARG 107 Cb 0.52 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.84 1sjn n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sjn n GLY 108 N 2.54 0.06 3.79 5.14 0.00 -0.12 -4.96 105.19 111.63 1sjn n GLY 108 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1sjn n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sjn s ASP 109 N -2.02 6.54 -0.39 1.61 1.01 -0.81 -4.80 116.67 117.82 1sjn s ASP 109 Ca 0.00 1.98 -0.19 0.00 0.71 0.00 0.00 52.55 55.05 1sjn s ASP 109 Cb 0.00 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1sjn s ASP 109 CO 0.00 -0.65 0.55 -0.13 0.21 0.00 0.00 175.17 175.15 1sjn s ARG 110 N -2.90 3.45 0.00 8.23 0.52 -1.26 -0.68 118.95 126.31 1sjn s ARG 110 Ca 0.63 -0.29 0.07 0.00 -0.52 0.00 0.00 55.73 55.63 1sjn s ARG 110 Cb -0.19 -3.87 0.02 0.00 0.52 0.00 0.00 34.95 31.43 1sjn s ARG 110 CO 0.23 -0.79 0.62 0.44 0.02 0.00 0.00 175.30 175.82 1sjn n ILE 111 N 5.57 0.00 -3.72 1.52 -5.35 -0.27 -4.98 119.36 112.13 1sjn n ILE 111 Ca -0.04 -0.46 -0.01 0.00 -0.27 0.00 0.00 62.75 61.98 1sjn n ILE 111 Cb 0.48 1.12 -0.01 0.00 -1.74 0.00 0.00 39.64 39.49 1sjn n ILE 111 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sjn s ALA 112 N -0.92 -1.93 0.03 -1.28 0.00 -1.24 -4.59 121.76 111.83 1sjn s ALA 112 Ca 0.07 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1sjn s ALA 112 Cb 0.06 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1sjn s ALA 112 CO 0.15 -1.06 -0.07 1.14 0.00 0.00 0.00 175.76 175.92 1sjn s GLN 113 N -2.76 0.53 -0.21 0.00 -2.07 -0.03 -0.77 119.66 114.35 1sjn s GLN 113 Ca 0.15 -0.56 -0.05 0.00 -1.82 0.00 0.00 55.36 53.08 1sjn s GLN 113 Cb 0.01 -0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 31.52 1sjn s GLN 113 CO -0.00 0.09 -0.00 -1.17 -1.32 0.00 0.00 175.29 172.88 1sjn s LEU 114 N -1.03 3.19 0.09 2.60 2.96 0.38 -0.71 118.68 126.16 1sjn s LEU 114 Ca -0.05 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1sjn s LEU 114 Cb -0.07 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1sjn s LEU 114 CO 0.00 0.04 0.11 -0.76 -1.32 0.00 0.00 176.35 174.42 1sjn s LEU 115 N 1.15 3.89 -0.08 -0.68 1.02 -0.19 -1.22 118.68 122.57 1sjn s LEU 115 Ca 0.03 0.02 0.04 0.00 0.02 0.00 0.00 54.13 54.24 1sjn s LEU 115 Cb -0.14 -2.55 -0.00 0.00 0.02 0.00 0.00 46.19 43.51 1sjn s LEU 115 CO 0.01 0.15 -0.21 -0.69 0.02 0.00 0.00 176.35 175.63 1sjn s VAL 116 N -1.46 1.82 0.06 -1.59 1.01 -1.26 -0.35 120.40 118.62 1sjn s VAL 116 Ca 0.30 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1sjn s VAL 116 Cb -0.12 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1sjn s VAL 116 CO 0.23 0.51 -0.06 -1.10 0.00 0.00 0.00 175.10 174.68 1sjn s GLN 117 N 0.26 0.62 0.60 2.72 -0.21 -0.68 -4.98 119.66 117.98 1sjn s GLN 117 Ca -0.13 -1.02 -0.19 0.00 0.02 0.00 0.00 55.36 54.04 1sjn s GLN 117 Cb -0.16 -0.13 -0.03 0.00 1.00 0.00 0.00 33.01 33.69 1sjn s GLN 117 CO 0.06 -0.01 1.21 1.03 -2.12 0.00 0.00 175.29 175.46 1sjn s ARG 118 N -2.73 2.95 0.06 2.91 0.52 -1.26 -0.99 118.95 120.40 1sjn s ARG 118 Ca -0.00 1.84 0.06 0.00 -0.52 0.00 0.00 55.73 57.10 1sjn s ARG 118 Cb -0.02 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 1sjn s ARG 118 CO -0.03 -1.23 -0.16 0.54 0.02 0.00 0.00 175.30 174.44 1sjn s VAL 119 N -1.58 1.25 -0.37 3.52 0.11 -0.62 -4.79 120.40 117.91 1sjn s VAL 119 Ca 0.78 -1.22 -0.21 0.00 -2.93 0.00 0.00 61.98 58.40 1sjn s VAL 119 Cb -0.31 -1.15 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1sjn s VAL 119 CO 0.33 -0.08 0.67 -1.61 -3.33 0.00 0.00 175.10 171.08 1sjn s GLU 120 N -1.49 3.65 -1.36 1.54 0.41 -1.26 -4.68 118.70 115.50 1sjn s GLU 120 Ca 0.01 0.06 -0.11 0.00 -0.41 0.00 0.00 54.97 54.52 1sjn s GLU 120 Cb -0.09 -3.82 0.11 0.00 -1.78 0.00 0.00 34.13 28.55 1sjn s GLU 120 CO 0.02 -0.79 2.04 1.28 -0.49 0.00 0.00 175.26 177.33 1sjn n LEU 121 N 6.15 6.82 -4.76 1.80 4.77 -1.26 -4.96 117.00 125.55 1sjn n LEU 121 Ca -0.00 -4.46 -0.38 0.00 -0.03 0.00 0.00 56.01 51.14 1sjn n LEU 121 Cb 0.48 -1.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.05 1sjn n LEU 121 CO 0.50 1.31 0.92 0.68 -1.33 0.00 0.00 177.39 179.47 1sjn s VAL 122 N 1.44 2.53 -0.42 4.08 -7.23 -1.26 -4.97 120.40 114.57 1sjn s VAL 122 Ca 0.43 0.40 -0.19 0.00 -1.81 0.00 0.00 61.98 60.82 1sjn s VAL 122 Cb 0.12 -3.21 0.02 0.00 0.56 0.00 0.00 36.38 33.87 1sjn s VAL 122 CO -0.03 -0.00 0.54 -0.70 -0.31 0.00 0.00 175.10 174.59 1sjn s GLU 123 N -2.78 3.25 0.21 4.82 2.56 -1.26 -5.04 118.70 120.46 1sjn s GLU 123 Ca 0.67 -0.50 -0.30 0.00 0.00 0.00 0.00 54.97 54.84 1sjn s GLU 123 Cb -0.35 -3.94 -0.09 0.00 2.00 0.00 0.00 34.13 31.75 1sjn s GLU 123 CO 0.42 -0.89 1.28 -0.51 -0.56 0.00 0.00 175.26 175.00 1sjn s LEU 124 N 2.46 4.43 -0.13 2.70 1.02 -1.26 -5.02 118.68 122.88 1sjn s LEU 124 Ca 0.17 2.38 -0.00 0.00 0.02 0.00 0.00 54.13 56.70 1sjn s LEU 124 Cb -0.16 -3.61 0.03 0.00 0.02 0.00 0.00 46.19 42.47 1sjn s LEU 124 CO 0.16 -0.48 -0.07 -0.69 0.02 0.00 0.00 176.35 175.29 1sjn s VAL 125 N -0.08 1.08 0.18 -1.59 1.01 -1.26 -5.12 120.40 114.62 1sjn s VAL 125 Ca 0.55 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1sjn s VAL 125 Cb -0.36 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 34.79 1sjn s VAL 125 CO 0.39 0.29 1.32 -0.70 0.00 0.00 0.00 175.10 176.40 1sjn s GLU 126 N 1.67 4.38 0.29 2.72 2.12 -1.26 -5.03 118.70 123.60 1sjn s GLU 126 Ca 0.03 2.04 0.07 0.00 0.36 0.00 0.00 54.97 57.48 1sjn s GLU 126 Cb -0.14 -3.21 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 1sjn s GLU 126 CO -0.08 -0.29 -0.06 0.14 -0.54 0.00 0.00 175.26 174.43 1sjn s VAL 127 N 0.35 1.73 0.07 3.70 -7.23 -1.26 -5.07 120.40 112.69 1sjn s VAL 127 Ca 0.58 -2.13 -0.13 0.00 -1.81 0.00 0.00 61.98 58.49 1sjn s VAL 127 Cb -0.36 -2.50 -0.27 0.00 0.56 0.00 0.00 36.38 33.81 1sjn s VAL 127 CO 0.36 -0.27 1.14 0.77 -0.31 0.00 0.00 175.10 176.79 1sjn h SER 128 N 2.22 0.83 -5.11 4.85 4.64 -1.96 -3.48 113.55 115.54 1sjn h SER 128 Ca -0.40 -0.75 0.16 0.00 -0.47 0.00 0.00 61.79 60.33 1sjn h SER 128 Cb 1.24 -0.26 -0.10 0.00 -0.31 0.00 0.00 62.40 62.96 1sjn h SER 128 CO 0.68 1.55 0.49 -0.94 -0.87 0.00 0.00 176.83 177.75 1sjn s SER 129 N -7.36 -0.24 0.16 4.97 1.04 -1.26 -5.06 113.70 105.95 1sjn s SER 129 Ca -0.09 -0.26 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 1sjn s SER 129 Cb 0.06 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 1sjn s SER 129 CO 0.92 -0.80 1.37 -0.26 0.98 0.00 0.00 173.24 175.45 1sjn h PHE 130 N 2.00 0.42 -0.27 5.02 0.05 -1.94 -3.02 116.94 119.20 1sjn h PHE 130 Ca -0.24 -0.22 0.03 0.00 3.82 0.00 0.00 57.97 61.35 1sjn h PHE 130 Cb 1.23 -0.05 -0.03 0.00 2.00 0.00 0.00 35.95 39.11 1sjn h PHE 130 CO 0.34 1.03 0.11 -0.44 -0.18 0.00 0.00 178.31 179.16 1sjn h ASP 131 N 0.17 0.14 0.65 2.17 3.32 -1.92 0.64 116.42 121.58 1sjn h ASP 131 Ca -0.05 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1sjn h ASP 131 Cb 1.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 1sjn h ASP 131 CO 0.14 0.11 -0.17 -0.08 -1.72 0.00 0.00 179.24 177.52 1sjn h GLU 132 N 0.24 0.00 -0.26 3.56 4.57 -1.98 -2.78 114.58 117.93 1sjn h GLU 132 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1sjn h GLU 132 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1sjn h GLU 132 CO -0.11 0.17 0.00 0.00 -1.18 0.00 0.00 179.01 177.90 1sjn n ALA 133 N -2.25 2.48 -1.63 2.92 0.00 -1.12 -4.94 120.51 115.97 1sjn n ALA 133 Ca -0.01 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.68 1sjn n ALA 133 Cb 0.34 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1sjn n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sjn n GLY 134 N 1.20 0.71 0.10 0.00 0.00 -1.05 -4.92 105.19 101.23 1sjn n GLY 134 Ca 0.16 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.67 1sjn n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sjn n LEU 135 N -1.28 1.13 -0.19 0.99 4.77 0.19 -4.67 117.00 117.93 1sjn n LEU 135 Ca -0.11 -0.96 0.06 0.00 -0.03 0.00 0.00 56.01 54.97 1sjn n LEU 135 Cb 0.43 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.80 1sjn n LEU 135 CO 0.15 0.26 0.69 0.00 -1.33 0.00 0.00 177.39 177.15 1sjn n ALA 136 N 0.05 2.53 -3.66 -1.18 0.00 -1.00 -4.65 120.51 112.60 1sjn n ALA 136 Ca 0.01 -0.22 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 1sjn n ALA 136 Cb 0.06 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 1sjn n ALA 136 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sjn s SER 137 N -1.29 5.42 0.20 0.00 0.15 -1.26 -4.95 113.70 111.96 1sjn s SER 137 Ca 0.18 -1.93 -0.13 0.00 0.70 0.00 0.00 55.95 54.78 1sjn s SER 137 Cb 0.09 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1sjn s SER 137 CO 0.14 -0.58 0.42 0.42 1.20 0.00 0.00 173.24 174.84 1sjn s THR 138 N 1.24 0.03 0.59 6.45 -4.23 -1.26 -5.07 115.64 113.39 1sjn s THR 138 Ca 0.07 -1.22 0.29 0.00 -1.18 0.00 0.00 61.69 59.65 1sjn s THR 138 Cb -0.24 -1.89 0.36 0.00 1.34 0.00 0.00 72.50 72.07 1sjn s THR 138 CO -0.02 -0.14 2.21 0.77 -0.54 0.00 0.00 174.62 176.90 1sjn h SER 139 N 2.34 0.00 0.00 3.99 4.64 -2.00 -3.33 113.55 119.19 1sjn h SER 139 Ca -0.29 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.81 1sjn h SER 139 Cb 1.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 1sjn h SER 139 CO 0.41 0.00 -1.76 0.54 -0.87 0.00 0.00 176.83 175.15 1sjn n ARG 140 N -3.83 0.29 0.00 4.77 1.74 -1.26 -5.09 116.66 113.28 1sjn n ARG 140 Ca -0.02 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1sjn n ARG 140 Cb 0.15 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1sjn n ARG 140 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sjn n GLY 141 N 2.19 1.88 2.57 -0.13 0.00 -1.25 -3.77 105.19 106.68 1sjn n GLY 141 Ca -0.26 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 1sjn n GLY 141 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sjn n ASP 142 N 5.10 7.54 -4.37 1.61 10.43 -1.26 -4.96 116.55 130.64 1sjn n ASP 142 Ca 0.00 -3.81 -0.33 0.00 2.57 0.00 0.00 54.79 53.22 1sjn n ASP 142 Cb 0.00 -1.00 -0.14 0.00 1.84 0.00 0.00 41.12 41.82 1sjn n ASP 142 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1sjn s GLY 143 N -1.58 1.54 0.00 0.44 0.00 -1.25 -5.06 107.32 101.42 1sjn s GLY 143 Ca 0.59 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.42 1sjn s GLY 143 CO -0.18 -0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.32 1sjn n GLY 144 N 3.49 3.37 0.00 0.20 0.00 -1.26 -4.93 105.19 106.05 1sjn n GLY 144 Ca -0.18 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1sjn n GLY 144 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89