#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjn n SER 2 N 0.00 1.47 -4.87 6.12 2.88 -1.26 -5.19 113.62 112.77 1sjn n SER 2 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1sjn n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1sjn n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1sjn s THR 3 N 1.28 1.98 0.50 2.46 -1.32 -1.26 -5.14 115.64 114.14 1sjn s THR 3 Ca 0.00 -1.48 -0.04 0.00 -1.21 0.00 0.00 61.69 58.96 1sjn s THR 3 Cb 0.00 -2.46 -0.02 0.00 -1.51 0.00 0.00 72.50 68.51 1sjn s THR 3 CO 0.00 0.00 0.78 0.42 -2.21 0.00 0.00 174.62 173.61 1sjn s THR 4 N -2.68 4.37 -0.20 5.08 -4.23 -1.26 -5.08 115.64 111.64 1sjn s THR 4 Ca 0.39 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.87 1sjn s THR 4 Cb -0.02 -3.67 0.04 0.00 1.34 0.00 0.00 72.50 70.20 1sjn s THR 4 CO 0.23 -0.62 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.36 1sjn s LEU 5 N -4.75 2.37 0.14 4.79 2.96 -1.26 -4.86 118.68 118.06 1sjn s LEU 5 Ca 0.49 -0.91 -0.30 0.00 -0.22 0.00 0.00 54.13 53.19 1sjn s LEU 5 Cb -0.10 -1.29 -0.07 0.00 0.50 0.00 0.00 46.19 45.23 1sjn s LEU 5 CO 0.43 -0.13 1.10 0.00 -1.32 0.00 0.00 176.35 176.42 1sjn s ALA 6 N 1.36 3.35 -0.01 5.97 0.00 -1.26 -4.96 121.76 126.20 1sjn s ALA 6 Ca -0.01 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1sjn s ALA 6 Cb -0.16 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1sjn s ALA 6 CO -0.08 -0.23 0.01 -1.50 0.00 0.00 0.00 175.76 173.95 1sjn s ILE 7 N 0.12 0.05 -0.15 0.00 2.07 -1.26 -1.88 121.20 120.14 1sjn s ILE 7 Ca 0.51 0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.79 1sjn s ILE 7 Cb -0.28 -0.11 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 1sjn s ILE 7 CO 0.33 0.07 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.67 1sjn s VAL 8 N 0.53 3.67 -0.72 4.00 1.01 0.22 -5.00 120.40 124.12 1sjn s VAL 8 Ca -0.05 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 1sjn s VAL 8 Cb -0.07 -2.60 0.08 0.00 0.00 0.00 0.00 36.38 33.79 1sjn s VAL 8 CO -0.01 0.50 1.03 -0.13 0.00 0.00 0.00 175.10 176.48 1sjn s ARG 9 N 0.41 3.21 0.35 2.72 0.52 -1.26 -1.71 118.95 123.19 1sjn s ARG 9 Ca -0.05 -0.94 0.07 0.00 -0.52 0.00 0.00 55.73 54.29 1sjn s ARG 9 Cb -0.15 -4.37 0.66 0.00 0.52 0.00 0.00 34.95 31.61 1sjn s ARG 9 CO 0.03 -1.85 1.86 -0.07 0.02 0.00 0.00 175.30 175.29 1sjn h LEU 10 N 11.39 0.31 -7.85 2.53 3.38 -1.14 -3.33 115.31 120.61 1sjn h LEU 10 Ca -0.20 -0.07 -0.71 0.00 0.09 0.00 0.00 57.88 56.98 1sjn h LEU 10 Cb 1.06 -0.08 -0.32 0.00 0.09 0.00 0.00 40.66 41.41 1sjn h LEU 10 CO 1.19 0.49 -0.43 -0.62 0.09 0.00 0.00 178.44 179.17 1sjn s ASP 11 N -6.84 5.52 0.24 -0.43 -1.08 -0.79 -4.97 116.67 108.31 1sjn s ASP 11 Ca -0.06 -2.12 0.21 0.00 -0.52 0.00 0.00 52.55 50.07 1sjn s ASP 11 Cb 0.15 -1.93 0.95 0.00 -1.46 0.00 0.00 42.92 40.62 1sjn s ASP 11 CO 0.75 -0.59 1.65 -2.65 0.52 0.00 0.00 175.17 174.85 1sjn n PRO 12 N 4.56 0.16 0.08 4.34 -0.02 -1.25 -2.58 135.00 140.28 1sjn n PRO 12 Ca -0.03 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1sjn n PRO 12 Cb 0.41 -1.84 0.46 0.00 -0.02 0.00 0.00 33.50 32.51 1sjn n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sjn n GLY 13 N -0.34 -1.47 3.91 -1.23 0.00 -1.26 -4.82 105.19 99.98 1sjn n GLY 13 Ca 0.01 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.00 4.16 0.64 0.99 1.43 -1.07 -5.08 118.68 115.75 1sjn s LEU 14 Ca 0.09 0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 53.58 1sjn s LEU 14 Cb 0.13 -3.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.00 1sjn s LEU 14 CO 0.49 -0.10 1.15 -2.84 0.23 0.00 0.00 176.35 175.28 1sjn s PRO 15 N -3.37 2.81 0.18 1.29 0.02 -1.26 -4.97 135.00 129.70 1sjn s PRO 15 Ca 0.41 1.59 -0.31 0.00 0.02 0.00 0.00 61.00 62.71 1sjn s PRO 15 Cb -0.11 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.38 1sjn s PRO 15 CO 0.29 -1.28 1.43 -1.17 -0.33 0.00 0.00 177.00 175.94 1sjn s LEU 16 N -4.57 4.38 0.49 -5.54 2.96 -1.26 -4.94 118.68 110.20 1sjn s LEU 16 Ca 0.71 2.51 -0.23 0.00 -0.22 0.00 0.00 54.13 56.91 1sjn s LEU 16 Cb -0.25 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.76 1sjn s LEU 16 CO 0.38 -0.69 1.15 -2.65 -1.32 0.00 0.00 176.35 173.22 1sjn n PRO 17 N 3.24 1.50 -3.90 0.98 -0.02 -1.26 -5.00 135.00 130.54 1sjn n PRO 17 Ca 0.10 0.55 -0.09 0.00 -2.02 0.00 0.00 63.50 62.03 1sjn n PRO 17 Cb 0.41 -2.28 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 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 -0.82 0.15 -0.48 2.55 1.04 -1.26 -4.98 113.70 109.91 1sjn s SER 18 Ca 0.67 -0.59 -0.21 0.00 0.48 0.00 0.00 55.95 56.29 1sjn s SER 18 Cb -0.48 0.29 0.04 0.00 0.10 0.00 0.00 66.02 65.96 1sjn s SER 18 CO 0.54 -0.62 0.71 -0.60 0.98 0.00 0.00 173.24 174.25 1sjn s ARG 19 N -3.25 3.27 0.10 4.02 3.52 -1.26 -3.73 118.95 121.62 1sjn s ARG 19 Ca 0.00 -0.43 -0.22 0.00 -0.13 0.00 0.00 55.73 54.96 1sjn s ARG 19 Cb 0.02 -4.00 -0.11 0.00 -1.56 0.00 0.00 34.95 29.30 1sjn s ARG 19 CO -0.08 -1.16 1.75 0.00 -0.81 0.00 0.00 175.30 175.01 1sjn h ALA 20 N 9.00 0.10 -3.86 6.12 0.00 -1.95 -3.43 119.26 125.24 1sjn h ALA 20 Ca -0.26 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.99 1sjn h ALA 20 Cb 1.09 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.63 1sjn h ALA 20 CO 0.96 -0.41 -0.86 -1.01 0.00 0.00 0.00 179.25 177.93 1sjn s HIS 21 N -6.18 2.18 0.52 0.00 3.76 -1.26 -5.05 115.29 109.26 1sjn s HIS 21 Ca -0.13 -0.39 0.22 0.00 -0.15 0.00 0.00 55.06 54.61 1sjn s HIS 21 Cb 0.07 -1.19 1.35 0.00 1.11 0.00 0.00 32.58 33.92 1sjn s HIS 21 CO 0.67 0.30 2.04 -0.44 -0.85 0.00 0.00 174.74 176.47 1sjn h ASP 22 N 3.95 0.01 0.29 1.40 3.32 -2.02 0.20 116.42 123.57 1sjn h ASP 22 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1sjn h ASP 22 Cb 1.17 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1sjn h ASP 22 CO 0.39 0.01 -0.70 0.61 -1.72 0.00 0.00 179.24 177.82 1sjn n GLY 23 N -1.61 -1.14 3.72 2.75 0.00 -1.26 -4.96 105.19 102.69 1sjn n GLY 23 Ca 0.06 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1sjn n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sjn n ASP 24 N -1.49 3.27 0.08 1.61 8.00 0.06 -4.88 116.55 123.19 1sjn n ASP 24 Ca 0.05 1.18 -0.05 0.00 0.71 0.00 0.00 54.79 56.68 1sjn n ASP 24 Cb 0.33 -1.53 0.14 0.00 -0.02 0.00 0.00 41.12 40.05 1sjn n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sjn h ALA 25 N 3.72 0.91 -2.02 2.24 0.00 -1.93 -3.46 119.26 118.72 1sjn h ALA 25 Ca -0.47 -0.50 -0.60 0.00 0.00 0.00 0.00 54.91 53.34 1sjn h ALA 25 Cb 1.26 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 1sjn h ALA 25 CO 0.71 0.69 -0.70 0.20 0.00 0.00 0.00 179.25 180.15 1sjn s GLY 26 N -4.28 2.07 -0.07 0.00 0.00 -1.26 -4.48 107.32 99.29 1sjn s GLY 26 Ca -0.04 -2.01 0.02 0.00 0.00 0.00 0.00 44.72 42.68 1sjn s GLY 26 CO 0.79 -1.99 -0.11 -1.34 0.00 0.00 0.00 173.10 170.45 1sjn s VAL 27 N -2.63 3.31 0.23 1.40 -7.23 -0.59 -4.64 120.40 110.24 1sjn s VAL 27 Ca 0.31 -0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 59.57 1sjn s VAL 27 Cb 0.01 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.52 1sjn s VAL 27 CO 0.15 0.58 0.97 -1.81 -0.31 0.00 0.00 175.10 174.68 1sjn s ASP 28 N -0.56 7.57 -0.03 4.85 1.01 -1.24 -0.44 116.67 127.83 1sjn s ASP 28 Ca 0.08 1.98 -0.04 0.00 0.71 0.00 0.00 52.55 55.27 1sjn s ASP 28 Cb -0.12 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 1sjn s ASP 28 CO 0.02 0.08 0.19 -0.76 0.21 0.00 0.00 175.17 174.91 1sjn s LEU 29 N -1.03 4.37 0.23 1.23 1.43 -0.00 -4.40 118.68 120.52 1sjn s LEU 29 Ca 0.43 0.42 0.05 0.00 -1.03 0.00 0.00 54.13 54.00 1sjn s LEU 29 Cb -0.27 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 1sjn s LEU 29 CO 0.33 0.29 0.31 -0.31 0.23 0.00 0.00 176.35 177.20 1sjn s TYR 30 N -1.26 3.37 -0.09 0.29 1.51 -1.26 -0.68 117.35 119.23 1sjn s TYR 30 Ca 0.25 -0.02 -0.24 0.00 -1.01 0.00 0.00 57.07 56.05 1sjn s TYR 30 Cb -0.13 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1sjn s TYR 30 CO 0.15 0.47 0.74 0.45 -1.11 0.00 0.00 175.55 176.25 1sjn s SER 31 N -3.82 6.99 0.00 2.29 0.15 -0.03 -4.18 113.70 115.10 1sjn s SER 31 Ca 0.34 1.20 0.29 0.00 0.70 0.00 0.00 55.95 58.47 1sjn s SER 31 Cb -0.09 -2.43 1.32 0.00 -1.71 0.00 0.00 66.02 63.11 1sjn s SER 31 CO 0.28 -0.18 1.95 0.00 1.20 0.00 0.00 173.24 176.49 1sjn n ALA 32 N 4.09 2.35 -2.18 5.45 0.00 0.39 -0.42 120.51 130.19 1sjn n ALA 32 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.22 1sjn n ALA 32 Cb 0.51 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.81 0.92 -0.10 0.00 -1.05 -1.26 -4.79 118.70 109.61 1sjn s GLU 33 Ca 0.20 -1.42 -0.17 0.00 -0.15 0.00 0.00 54.97 53.42 1sjn s GLU 33 Cb 0.19 -0.03 -0.04 0.00 -0.44 0.00 0.00 34.13 33.81 1sjn s GLU 33 CO 0.48 -0.15 0.45 -0.51 0.95 0.00 0.00 175.26 176.49 1sjn s ASP 34 N -3.07 6.68 -0.14 0.83 1.01 -1.26 -2.36 116.67 118.35 1sjn s ASP 34 Ca 0.19 0.81 -0.16 0.00 0.71 0.00 0.00 52.55 54.10 1sjn s ASP 34 Cb 0.07 -2.27 0.04 0.00 1.01 0.00 0.00 42.92 41.77 1sjn s ASP 34 CO -0.01 0.06 0.45 0.54 0.21 0.00 0.00 175.17 176.42 1sjn s VAL 35 N 0.35 0.01 -0.16 -1.27 0.11 -0.52 -4.96 120.40 113.96 1sjn s VAL 35 Ca 0.25 -0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.21 1sjn s VAL 35 Cb -0.15 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1sjn s VAL 35 CO 0.10 -0.03 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.06 1sjn s GLU 36 N -0.03 3.49 -0.31 1.54 2.12 -1.26 -0.73 118.70 123.52 1sjn s GLU 36 Ca -0.02 -0.61 -0.06 0.00 0.36 0.00 0.00 54.97 54.63 1sjn s GLU 36 Cb -0.03 -2.82 0.02 0.00 0.26 0.00 0.00 34.13 31.56 1sjn s GLU 36 CO 0.02 0.13 0.07 -0.51 -0.54 0.00 0.00 175.26 174.43 1sjn s LEU 37 N 0.62 3.96 0.81 2.70 1.43 0.58 -4.98 118.68 123.80 1sjn s LEU 37 Ca -0.05 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 52.06 1sjn s LEU 37 Cb -0.15 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 44.30 1sjn s LEU 37 CO 0.03 -0.24 1.09 0.00 0.23 0.00 0.00 176.35 177.46 1sjn s ALA 38 N 1.44 2.04 -0.11 4.21 0.00 -1.26 -1.06 121.76 127.03 1sjn s ALA 38 Ca 0.01 0.14 -0.39 0.00 0.00 0.00 0.00 51.96 51.72 1sjn s ALA 38 Cb -0.18 -3.24 -0.17 0.00 0.00 0.00 0.00 23.12 19.53 1sjn s ALA 38 CO 0.02 -1.94 1.49 -2.30 0.00 0.00 0.00 175.76 173.03 1sjn n PRO 39 N -3.62 0.94 -0.24 0.00 -0.02 -1.26 -1.28 135.00 129.51 1sjn n PRO 39 Ca 0.08 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1sjn n PRO 39 Cb 0.54 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 3.17 2.15 3.93 -1.23 0.00 0.56 -5.01 105.19 108.76 1sjn n GLY 40 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.13 3.54 0.20 1.61 1.81 -0.41 -4.76 118.95 120.82 1sjn s ARG 41 Ca 0.00 -0.21 0.07 0.00 -1.72 0.00 0.00 55.73 53.88 1sjn s ARG 41 Cb 0.00 -2.69 -0.05 0.00 -0.45 0.00 0.00 34.95 31.77 1sjn s ARG 41 CO 0.00 0.21 -0.13 -0.98 -0.68 0.00 0.00 175.30 173.73 1sjn s ARG 42 N -3.86 1.31 0.04 3.54 1.70 -1.26 -1.25 118.95 119.18 1sjn s ARG 42 Ca 0.41 -1.59 -0.11 0.00 -0.47 0.00 0.00 55.73 53.97 1sjn s ARG 42 Cb -0.10 -1.04 0.01 0.00 -0.57 0.00 0.00 34.95 33.24 1sjn s ARG 42 CO 0.33 0.15 0.23 0.00 -1.08 0.00 0.00 175.30 174.93 1sjn s ALA 43 N -3.03 -0.47 -0.38 7.88 0.00 -0.30 -5.00 121.76 120.45 1sjn s ALA 43 Ca 0.22 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 1sjn s ALA 43 Cb 0.00 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.43 1sjn s ALA 43 CO 0.06 -0.38 0.25 -1.17 0.00 0.00 0.00 175.76 174.53 1sjn s LEU 44 N -2.08 4.85 -0.14 0.00 2.96 -1.26 -0.97 118.68 122.03 1sjn s LEU 44 Ca -0.05 -0.85 -0.05 0.00 -0.22 0.00 0.00 54.13 52.97 1sjn s LEU 44 Cb -0.01 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 1sjn s LEU 44 CO -0.04 -0.39 0.01 -0.69 -1.32 0.00 0.00 176.35 173.93 1sjn s VAL 45 N 1.64 4.35 0.24 1.68 1.01 -0.04 -4.90 120.40 124.38 1sjn s VAL 45 Ca 0.04 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1sjn s VAL 45 Cb -0.19 -2.90 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 1sjn s VAL 45 CO 0.09 0.52 0.98 -0.13 0.00 0.00 0.00 175.10 176.56 1sjn s ARG 46 N -0.01 4.79 -0.00 2.72 0.52 -1.26 -0.42 118.95 125.28 1sjn s ARG 46 Ca 0.03 1.57 0.19 0.00 -0.52 0.00 0.00 55.73 57.01 1sjn s ARG 46 Cb -0.13 -3.26 -0.22 0.00 0.52 0.00 0.00 34.95 31.86 1sjn s ARG 46 CO 0.02 0.42 0.80 0.25 0.02 0.00 0.00 175.30 176.81 1sjn n THR 47 N 1.51 0.00 -0.98 0.02 -2.24 -1.08 -0.47 114.28 111.05 1sjn n THR 47 Ca -0.01 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1sjn n THR 47 Cb 0.47 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 0.44 3.24 3.38 0.00 -1.26 -4.48 105.19 107.97 1sjn n GLY 48 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.02 1.36 0.06 1.61 -7.23 -1.26 -0.49 120.40 112.43 1sjn s VAL 49 Ca 0.00 -1.69 0.07 0.00 -1.81 0.00 0.00 61.98 58.55 1sjn s VAL 49 Cb 0.00 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 1sjn s VAL 49 CO 0.00 -0.38 -0.20 0.00 -0.31 0.00 0.00 175.10 174.21 1sjn s ALA 50 N -2.03 1.73 0.23 1.32 0.00 -0.70 -0.71 121.76 121.60 1sjn s ALA 50 Ca 0.08 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 51.01 1sjn s ALA 50 Cb -0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1sjn s ALA 50 CO 0.03 0.37 -0.06 0.14 0.00 0.00 0.00 175.76 176.25 1sjn s VAL 51 N -0.89 1.35 -0.68 0.00 -7.23 -1.26 -0.61 120.40 111.08 1sjn s VAL 51 Ca 0.07 -2.09 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1sjn s VAL 51 Cb -0.09 -2.25 0.17 0.00 0.56 0.00 0.00 36.38 34.76 1sjn s VAL 51 CO 0.02 -0.42 0.47 0.00 -0.31 0.00 0.00 175.10 174.86 1sjn s ALA 52 N -3.21 3.74 0.17 1.32 0.00 -0.79 -4.53 121.76 118.47 1sjn s ALA 52 Ca 0.26 -3.67 -0.32 0.00 0.00 0.00 0.00 51.96 48.24 1sjn s ALA 52 Cb 0.04 -2.29 -0.11 0.00 0.00 0.00 0.00 23.12 20.75 1sjn s ALA 52 CO 0.08 -2.09 1.77 0.08 0.00 0.00 0.00 175.76 175.60 1sjn s VAL 53 N -1.06 2.24 0.52 0.00 1.01 -1.26 -4.38 120.40 117.46 1sjn s VAL 53 Ca 0.23 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 1sjn s VAL 53 Cb -0.11 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 1sjn s VAL 53 CO -0.11 0.00 1.28 -2.65 0.00 0.00 0.00 175.10 173.63 1sjn n PRO 54 N 4.68 1.65 -1.71 2.72 -0.02 -1.26 -4.40 135.00 136.66 1sjn n PRO 54 Ca 0.17 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.82 1sjn n PRO 54 Cb 0.36 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 1sjn n PRO 54 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sjn n PHE 55 N -0.92 2.53 -0.12 6.00 7.35 -1.26 -1.35 117.46 129.69 1sjn n PHE 55 Ca 0.10 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 1sjn n PHE 55 Cb 0.44 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.74 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 2.00 0.67 3.61 7.13 0.00 -1.26 -5.04 105.19 112.29 1sjn n GLY 56 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.76 1.95 0.01 1.61 -1.94 -0.46 -1.75 119.30 117.96 1sjn s MET 57 Ca 0.00 -2.14 0.00 0.00 -1.71 0.00 0.00 55.69 51.84 1sjn s MET 57 Cb 0.00 -1.40 -0.01 0.00 2.01 0.00 0.00 34.83 35.42 1sjn s MET 57 CO 0.00 -0.17 -0.02 0.54 -0.01 0.00 0.00 175.02 175.36 1sjn s VAL 58 N -2.89 0.08 -0.01 -6.03 0.11 0.70 -4.23 120.40 108.13 1sjn s VAL 58 Ca 0.28 -0.54 -0.11 0.00 -2.93 0.00 0.00 61.98 58.69 1sjn s VAL 58 Cb 0.07 -0.17 -0.05 0.00 -1.53 0.00 0.00 36.38 34.70 1sjn s VAL 58 CO 0.14 -0.28 0.33 -0.83 -3.33 0.00 0.00 175.10 171.12 1sjn s GLY 59 N -0.85 2.35 -0.10 6.54 0.00 -0.13 -1.50 107.32 113.64 1sjn s GLY 59 Ca -0.09 -0.39 0.01 0.00 0.00 0.00 0.00 44.72 44.24 1sjn s GLY 59 CO -0.01 -0.10 -0.09 1.08 0.00 0.00 0.00 173.10 173.98 1sjn s LEU 60 N -1.32 1.37 -0.35 0.66 1.43 0.51 -0.29 118.68 120.67 1sjn s LEU 60 Ca 0.24 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 1sjn s LEU 60 Cb -0.15 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.23 1sjn s LEU 60 CO 0.13 -0.06 0.32 -0.69 0.23 0.00 0.00 176.35 176.27 1sjn s VAL 61 N 1.32 5.21 0.18 -1.59 1.01 0.55 -0.49 120.40 126.59 1sjn s VAL 61 Ca -0.02 -0.14 0.10 0.00 0.00 0.00 0.00 61.98 61.92 1sjn s VAL 61 Cb -0.14 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1sjn s VAL 61 CO -0.04 -0.11 -0.18 -1.00 0.00 0.00 0.00 175.10 173.78 1sjn s HIS 62 N 1.89 2.46 0.65 5.22 3.76 -0.10 -1.12 115.29 128.05 1sjn s HIS 62 Ca 0.09 -0.29 -0.15 0.00 -0.15 0.00 0.00 55.06 54.56 1sjn s HIS 62 Cb -0.17 -1.23 -0.00 0.00 1.11 0.00 0.00 32.58 32.29 1sjn s HIS 62 CO 0.11 0.49 1.10 -2.14 -0.85 0.00 0.00 174.74 173.45 1sjn s PRO 63 N -2.66 2.87 0.10 8.40 0.02 -1.26 -0.56 135.00 141.91 1sjn s PRO 63 Ca 0.22 1.34 -0.23 0.00 0.02 0.00 0.00 61.00 62.34 1sjn s PRO 63 Cb -0.09 -1.96 -0.07 0.00 0.02 0.00 0.00 34.50 32.40 1sjn s PRO 63 CO 0.12 -1.19 0.71 1.03 -0.33 0.00 0.00 177.00 177.34 1sjn s ARG 64 N -4.15 4.44 0.16 5.54 0.52 -1.26 -4.67 118.95 119.53 1sjn s ARG 64 Ca 0.66 1.00 -0.08 0.00 -0.52 0.00 0.00 55.73 56.78 1sjn s ARG 64 Cb -0.19 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 32.00 1sjn s ARG 64 CO 0.42 0.50 1.49 0.66 0.02 0.00 0.00 175.30 178.38 1sjn h SER 65 N 4.84 0.89 0.19 0.23 4.64 -1.97 -3.14 113.55 119.22 1sjn h SER 65 Ca -0.47 -0.43 0.01 0.00 -0.47 0.00 0.00 61.79 60.44 1sjn h SER 65 Cb 1.21 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.01 1sjn h SER 65 CO 0.67 1.20 -0.33 1.23 -0.87 0.00 0.00 176.83 178.73 1sjn h GLY 66 N 0.84 -0.67 2.00 -0.77 0.00 -2.00 -2.33 103.07 100.14 1sjn h GLY 66 Ca 0.04 0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 1sjn h GLY 66 CO 0.10 -0.26 -0.10 1.41 0.00 0.00 0.00 176.54 177.69 1sjn h LEU 67 N -0.60 0.00 -0.10 3.11 3.38 -1.93 0.53 115.31 119.70 1sjn h LEU 67 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1sjn h LEU 67 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1sjn h LEU 67 CO -0.15 0.10 -0.10 0.00 0.09 0.00 0.00 178.44 178.38 1sjn h ALA 68 N 1.90 0.15 0.00 1.53 0.00 -1.41 -1.88 119.26 119.55 1sjn h ALA 68 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1sjn h ALA 68 Cb 0.22 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1sjn h ALA 68 CO 0.01 -0.01 -0.38 1.15 0.00 0.00 0.00 179.25 180.02 1sjn h THR 69 N -0.16 1.51 -0.56 0.00 2.02 -1.01 -0.59 112.91 114.12 1sjn h THR 69 Ca 0.02 -2.01 -0.06 0.00 0.77 0.00 0.00 66.41 65.12 1sjn h THR 69 Cb 0.61 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.73 1sjn h THR 69 CO 0.02 0.56 0.09 -0.09 0.37 0.00 0.00 175.52 176.48 1sjn h ARG 70 N -0.37 0.89 0.00 6.66 2.43 -0.97 -3.37 114.38 119.66 1sjn h ARG 70 Ca -0.05 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1sjn h ARG 70 Cb 1.13 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1sjn h ARG 70 CO 0.07 0.82 0.00 1.33 -1.51 0.00 0.00 179.97 180.69 1sjn n VAL 71 N -4.24 0.02 -1.06 0.20 0.24 -0.74 -5.04 118.33 107.70 1sjn n VAL 71 Ca 0.04 -0.12 -0.02 0.00 -2.04 0.00 0.00 64.34 62.20 1sjn n VAL 71 Cb 0.26 1.71 -0.01 0.00 -1.47 0.00 0.00 33.84 34.33 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 -0.01 0.55 3.73 7.63 0.00 -0.23 -4.33 105.19 112.54 1sjn n GLY 72 Ca 0.00 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.51 4.44 0.00 0.99 2.96 -1.07 -1.14 118.68 124.35 1sjn s LEU 73 Ca 0.00 2.23 0.05 0.00 -0.22 0.00 0.00 54.13 56.19 1sjn s LEU 73 Cb 0.00 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 1sjn s LEU 73 CO 0.00 -0.41 0.24 -0.24 -1.32 0.00 0.00 176.35 174.62 1sjn n SER 74 N 2.71 -0.61 -3.94 3.68 2.88 -0.18 -3.98 113.62 114.18 1sjn n SER 74 Ca 0.05 -2.67 -0.26 0.00 -1.33 0.00 0.00 58.87 54.66 1sjn n SER 74 Cb 0.45 1.38 -0.17 0.00 -0.75 0.00 0.00 64.21 65.12 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 -3.01 1.06 0.21 2.46 1.01 -1.26 -1.29 121.20 120.39 1sjn s ILE 75 Ca 0.30 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.51 1sjn s ILE 75 Cb 0.01 -1.05 0.16 0.00 0.01 0.00 0.00 42.46 41.60 1sjn s ILE 75 CO 0.21 0.36 1.88 0.58 0.00 0.00 0.00 174.94 177.98 1sjn h VAL 76 N 6.13 1.20 -0.68 2.92 2.07 -1.35 -2.48 116.25 124.05 1sjn h VAL 76 Ca -0.31 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 66.71 1sjn h VAL 76 Cb 1.14 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 1sjn h VAL 76 CO 0.43 0.19 0.18 -0.46 0.02 0.00 0.00 177.57 177.93 1sjn n ASN 77 N -4.55 5.13 -4.76 0.57 6.94 -1.26 -4.99 115.26 112.34 1sjn n ASN 77 Ca 0.07 -3.14 -0.41 0.00 -0.02 0.00 0.00 54.58 51.09 1sjn n ASN 77 Cb 0.02 -0.73 -0.02 0.00 -2.36 0.00 0.00 39.78 36.70 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 -0.98 6.53 0.07 0.53 0.15 -0.94 -2.64 113.70 116.43 1sjn s SER 78 Ca 0.55 2.84 -0.30 0.00 0.70 0.00 0.00 55.95 59.73 1sjn s SER 78 Cb 0.43 -2.64 -0.05 0.00 -1.71 0.00 0.00 66.02 62.05 1sjn s SER 78 CO 0.14 -0.76 1.08 -2.16 1.20 0.00 0.00 173.24 172.74 1sjn s PRO 79 N -1.12 4.54 0.25 5.44 0.04 -1.26 -5.08 135.00 137.80 1sjn s PRO 79 Ca 0.57 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.93 1sjn s PRO 79 Cb -0.44 -3.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.64 1sjn s PRO 79 CO 0.51 -0.07 1.32 0.20 0.04 0.00 0.00 177.00 179.00 1sjn s GLY 80 N 0.67 2.60 -0.28 0.56 0.00 -0.28 -4.78 107.32 105.81 1sjn s GLY 80 Ca 0.53 1.17 -0.11 0.00 0.00 0.00 0.00 44.72 46.32 1sjn s GLY 80 CO 0.30 2.04 0.19 -1.59 0.00 0.00 0.00 173.10 174.04 1sjn s THR 81 N -0.30 5.31 -0.36 0.90 2.01 -1.26 -0.33 115.64 121.60 1sjn s THR 81 Ca 0.54 0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.61 1sjn s THR 81 Cb -0.38 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.62 1sjn s THR 81 CO 0.43 0.24 0.18 -0.63 -0.69 0.00 0.00 174.62 174.15 1sjn s ILE 82 N 1.76 4.38 0.45 1.82 -1.09 0.60 -4.98 121.20 124.14 1sjn s ILE 82 Ca 0.07 -0.89 -0.19 0.00 -2.23 0.00 0.00 60.65 57.41 1sjn s ILE 82 Cb -0.16 -3.44 -0.10 0.00 -1.58 0.00 0.00 42.46 37.18 1sjn s ILE 82 CO 0.11 -0.20 0.94 -1.81 -1.23 0.00 0.00 174.94 172.75 1sjn s ASP 83 N 1.52 6.83 0.39 3.58 1.01 -1.26 -0.95 116.67 127.79 1sjn s ASP 83 Ca 0.01 1.61 0.16 0.00 0.71 0.00 0.00 52.55 55.05 1sjn s ASP 83 Cb -0.19 -2.51 1.04 0.00 1.01 0.00 0.00 42.92 42.27 1sjn s ASP 83 CO 0.06 -0.42 1.81 0.00 0.21 0.00 0.00 175.17 176.83 1sjn h ALA 84 N 1.63 2.15 0.00 5.23 0.00 -1.77 -1.41 119.26 125.08 1sjn h ALA 84 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1sjn h ALA 84 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1sjn h ALA 84 CO 0.62 -0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1sjn n GLY 85 N -1.48 -1.36 3.70 0.00 0.00 -1.26 -4.34 105.19 100.46 1sjn n GLY 85 Ca 0.22 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.90 3.53 -0.07 1.61 5.04 -0.53 -4.90 117.35 119.13 1sjn s TYR 86 Ca 0.16 1.27 0.11 0.00 -2.44 0.00 0.00 57.07 56.16 1sjn s TYR 86 Cb 0.17 -2.88 0.16 0.00 0.35 0.00 0.00 41.96 39.77 1sjn s TYR 86 CO 0.47 -0.02 1.06 0.54 -1.34 0.00 0.00 175.55 176.25 1sjn n ARG 87 N 4.22 1.38 -2.03 4.97 5.12 -1.26 -4.64 116.66 124.42 1sjn n ARG 87 Ca 0.01 -1.98 -0.23 0.00 -1.93 0.00 0.00 57.85 53.72 1sjn n ARG 87 Cb 0.51 -1.18 0.14 0.00 -1.16 0.00 0.00 32.46 30.77 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 -0.93 -0.35 3.74 -0.13 0.00 -1.26 -4.84 105.19 101.41 1sjn n GLY 88 Ca 0.09 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 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 -5.17 4.44 0.08 1.61 2.12 -1.26 -4.40 118.70 116.11 1sjn s GLU 89 Ca 0.63 1.96 -0.31 0.00 0.36 0.00 0.00 54.97 57.61 1sjn s GLU 89 Cb -0.03 -3.22 -0.06 0.00 0.26 0.00 0.00 34.13 31.08 1sjn s GLU 89 CO 0.43 -0.17 1.26 0.42 -0.54 0.00 0.00 175.26 176.65 1sjn s ILE 90 N 0.07 3.81 0.09 -3.70 1.01 0.11 -4.98 121.20 117.62 1sjn s ILE 90 Ca 0.55 1.30 0.10 0.00 0.00 0.00 0.00 60.65 62.60 1sjn s ILE 90 Cb -0.34 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 1sjn s ILE 90 CO 0.37 0.10 -0.25 -0.54 0.00 0.00 0.00 174.94 174.62 1sjn s LYS 91 N 1.08 1.46 -0.15 2.79 1.02 -1.26 -2.62 119.74 122.06 1sjn s LYS 91 Ca 0.60 -1.21 0.01 0.00 0.02 0.00 0.00 55.97 55.40 1sjn s LYS 91 Cb -0.32 -1.79 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 1sjn s LYS 91 CO 0.29 0.44 -0.17 0.08 -0.92 0.00 0.00 175.35 175.07 1sjn s VAL 92 N -0.98 2.47 -1.18 3.17 1.01 0.43 -4.91 120.40 120.42 1sjn s VAL 92 Ca 0.11 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 1sjn s VAL 92 Cb -0.10 -2.03 0.15 0.00 0.00 0.00 0.00 36.38 34.40 1sjn s VAL 92 CO 0.04 0.53 1.44 0.00 0.00 0.00 0.00 175.10 177.11 1sjn s ALA 93 N 0.80 3.77 0.41 5.51 0.00 -1.26 -0.86 121.76 130.13 1sjn s ALA 93 Ca -0.06 -3.18 -0.23 0.00 0.00 0.00 0.00 51.96 48.48 1sjn s ALA 93 Cb -0.15 -4.21 -0.09 0.00 0.00 0.00 0.00 23.12 18.66 1sjn s ALA 93 CO -0.00 -2.91 1.04 -0.51 0.00 0.00 0.00 175.76 173.37 1sjn s LEU 94 N 2.25 4.10 0.00 0.00 1.43 -0.14 -0.93 118.68 125.38 1sjn s LEU 94 Ca 0.43 1.99 -0.01 0.00 -1.03 0.00 0.00 54.13 55.52 1sjn s LEU 94 Cb -0.02 -4.25 -0.00 0.00 0.03 0.00 0.00 46.19 41.95 1sjn s LEU 94 CO -0.00 -0.50 0.01 -0.51 0.23 0.00 0.00 176.35 175.57 1sjn s ILE 95 N -1.73 0.03 -0.51 -0.59 2.07 -0.41 -1.14 121.20 118.92 1sjn s ILE 95 Ca 0.59 -0.27 -0.20 0.00 -1.41 0.00 0.00 60.65 59.36 1sjn s ILE 95 Cb -0.20 -0.11 0.05 0.00 0.13 0.00 0.00 42.46 42.32 1sjn s ILE 95 CO 0.26 -0.15 0.69 0.21 -1.91 0.00 0.00 174.94 174.04 1sjn s ASN 96 N -0.44 6.25 0.00 4.50 2.47 -0.38 -1.01 114.94 126.33 1sjn s ASN 96 Ca -0.05 -0.75 0.20 0.00 0.42 0.00 0.00 52.86 52.67 1sjn s ASN 96 Cb -0.03 -2.32 0.53 0.00 -1.45 0.00 0.00 41.25 37.97 1sjn s ASN 96 CO -0.00 -0.95 1.44 0.18 -3.72 0.00 0.00 177.10 174.05 1sjn n LEU 97 N 6.44 2.91 -4.76 3.21 4.77 -0.29 -0.32 117.00 128.95 1sjn n LEU 97 Ca -0.04 -1.37 -0.39 0.00 -0.03 0.00 0.00 56.01 54.17 1sjn n LEU 97 Cb 0.46 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1sjn n LEU 97 CO 0.56 0.68 0.70 -0.62 -1.33 0.00 0.00 177.39 177.38 1sjn s ASP 98 N -1.23 7.41 0.35 -1.43 2.15 -1.25 -4.91 116.67 117.75 1sjn s ASP 98 Ca 0.37 2.03 0.27 0.00 0.43 0.00 0.00 52.55 55.65 1sjn s ASP 98 Cb 0.20 -2.61 0.89 0.00 -0.30 0.00 0.00 42.92 41.10 1sjn s ASP 98 CO 0.27 -0.02 1.77 1.55 -0.17 0.00 0.00 175.17 178.57 1sjn h PRO 99 N 3.74 0.00 0.00 4.34 0.13 -1.95 -3.33 132.00 134.92 1sjn h PRO 99 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1sjn h PRO 99 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1sjn h PRO 99 CO 0.67 0.00 -0.33 0.00 -0.23 0.00 0.00 178.00 178.11 1sjn n ALA 100 N -1.92 1.52 -2.67 -0.56 0.00 -1.26 -4.83 120.51 110.79 1sjn n ALA 100 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.10 1sjn n ALA 100 Cb 0.37 0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.33 3.60 0.66 0.00 0.00 -1.26 -4.76 121.76 118.67 1sjn s ALA 101 Ca 0.00 -0.79 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 1sjn s ALA 101 Cb 0.00 -2.39 -0.00 0.00 0.00 0.00 0.00 23.12 20.73 1sjn s ALA 101 CO 0.00 -0.20 1.27 -2.14 0.00 0.00 0.00 175.76 174.69 1sjn s PRO 102 N 1.08 2.49 -0.15 0.00 0.02 -1.26 -4.48 135.00 132.70 1sjn s PRO 102 Ca 0.10 1.99 -0.02 0.00 0.02 0.00 0.00 61.00 63.10 1sjn s PRO 102 Cb -0.14 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 1sjn s PRO 102 CO 0.05 -1.62 -0.09 0.42 -0.33 0.00 0.00 177.00 175.42 1sjn s ILE 103 N -1.52 3.32 -0.26 2.83 1.01 -0.22 -4.98 121.20 121.39 1sjn s ILE 103 Ca 0.81 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.82 1sjn s ILE 103 Cb -0.35 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1sjn s ILE 103 CO 0.40 0.50 0.09 -0.69 0.00 0.00 0.00 174.94 175.24 1sjn s VAL 104 N 0.55 4.42 -0.19 2.92 1.01 -1.26 -0.31 120.40 127.54 1sjn s VAL 104 Ca -0.06 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1sjn s VAL 104 Cb -0.15 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1sjn s VAL 104 CO 0.03 0.32 0.23 -0.69 0.00 0.00 0.00 175.10 174.99 1sjn s VAL 105 N 1.63 5.34 0.00 2.92 1.01 0.09 -5.00 120.40 126.40 1sjn s VAL 105 Ca 0.06 0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 1sjn s VAL 105 Cb -0.15 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1sjn s VAL 105 CO 0.04 0.38 0.12 -1.00 0.00 0.00 0.00 175.10 174.64 1sjn s HIS 106 N 0.65 3.37 -0.02 5.22 3.76 -1.26 -1.44 115.29 125.57 1sjn s HIS 106 Ca 0.12 0.24 -0.38 0.00 -0.15 0.00 0.00 55.06 54.90 1sjn s HIS 106 Cb -0.13 -1.76 -0.17 0.00 1.11 0.00 0.00 32.58 31.64 1sjn s HIS 106 CO 0.03 0.58 1.41 -2.13 -0.85 0.00 0.00 174.74 173.77 1sjn n ARG 107 N 1.01 0.99 -0.27 1.40 0.63 -1.00 -1.36 116.66 118.07 1sjn n ARG 107 Ca -0.12 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1sjn n ARG 107 Cb 0.52 -1.99 0.00 0.00 0.45 0.00 0.00 32.46 31.44 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 2.81 0.91 3.77 5.14 0.00 0.44 -4.97 105.19 113.29 1sjn n GLY 108 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.94 7.36 -0.12 1.61 1.01 -0.47 -4.76 116.67 118.36 1sjn s ASP 109 Ca 0.00 1.93 -0.29 0.00 0.71 0.00 0.00 52.55 54.90 1sjn s ASP 109 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1sjn s ASP 109 CO 0.00 -0.06 1.07 -0.13 0.21 0.00 0.00 175.17 176.27 1sjn s ARG 110 N -1.79 4.37 0.00 8.23 0.52 -1.26 -0.85 118.95 128.16 1sjn s ARG 110 Ca 0.48 1.46 0.01 0.00 -0.52 0.00 0.00 55.73 57.17 1sjn s ARG 110 Cb -0.22 -3.58 -0.01 0.00 0.52 0.00 0.00 34.95 31.66 1sjn s ARG 110 CO 0.28 -0.42 0.19 0.44 0.02 0.00 0.00 175.30 175.81 1sjn n ILE 111 N 4.75 0.00 -3.78 1.52 -5.35 0.14 -4.95 119.36 111.69 1sjn n ILE 111 Ca 0.10 -0.48 -0.03 0.00 -0.27 0.00 0.00 62.75 62.07 1sjn n ILE 111 Cb 0.47 1.01 -0.00 0.00 -1.74 0.00 0.00 39.64 39.38 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 -0.86 -1.62 0.04 -1.28 0.00 -1.22 -4.57 121.76 112.24 1sjn s ALA 112 Ca 0.01 -0.00 0.05 0.00 0.00 0.00 0.00 51.96 52.01 1sjn s ALA 112 Cb 0.01 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1sjn s ALA 112 CO 0.05 -1.05 -0.14 1.14 0.00 0.00 0.00 175.76 175.76 1sjn s GLN 113 N -2.96 0.91 -0.28 0.00 -2.07 0.28 -0.82 119.66 114.71 1sjn s GLN 113 Ca 0.15 -0.74 -0.05 0.00 -1.82 0.00 0.00 55.36 52.90 1sjn s GLN 113 Cb -0.02 -0.90 0.01 0.00 -1.09 0.00 0.00 33.01 31.02 1sjn s GLN 113 CO 0.03 0.22 0.04 -1.17 -1.32 0.00 0.00 175.29 173.10 1sjn s LEU 114 N -1.11 3.67 0.26 2.60 2.96 0.42 -0.93 118.68 126.55 1sjn s LEU 114 Ca 0.01 -0.74 0.06 0.00 -0.22 0.00 0.00 54.13 53.23 1sjn s LEU 114 Cb -0.08 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 1sjn s LEU 114 CO 0.01 -0.17 0.36 -0.76 -1.32 0.00 0.00 176.35 174.47 1sjn s LEU 115 N 1.45 4.20 -0.05 -0.68 1.02 0.36 -1.54 118.68 123.44 1sjn s LEU 115 Ca 0.02 -0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.17 1sjn s LEU 115 Cb -0.17 -2.78 0.01 0.00 0.02 0.00 0.00 46.19 43.27 1sjn s LEU 115 CO 0.01 -0.14 -0.09 -0.69 0.02 0.00 0.00 176.35 175.46 1sjn s VAL 116 N -2.04 0.83 0.03 -1.59 1.01 -1.26 -0.36 120.40 117.02 1sjn s VAL 116 Ca 0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1sjn s VAL 116 Cb -0.09 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1sjn s VAL 116 CO 0.29 0.28 -0.01 -1.10 0.00 0.00 0.00 175.10 174.56 1sjn s GLN 117 N 0.64 0.43 0.61 2.72 -0.21 -0.56 -4.99 119.66 118.30 1sjn s GLN 117 Ca -0.11 -0.79 -0.18 0.00 0.02 0.00 0.00 55.36 54.31 1sjn s GLN 117 Cb -0.14 0.15 -0.03 0.00 1.00 0.00 0.00 33.01 34.00 1sjn s GLN 117 CO 0.02 -0.08 1.18 1.03 -2.12 0.00 0.00 175.29 175.31 1sjn s ARG 118 N -2.26 2.93 0.03 2.91 0.52 -1.26 -0.22 118.95 121.60 1sjn s ARG 118 Ca -0.08 1.70 0.02 0.00 -0.52 0.00 0.00 55.73 56.85 1sjn s ARG 118 Cb -0.04 -1.94 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 1sjn s ARG 118 CO -0.04 -1.21 -0.06 0.54 0.02 0.00 0.00 175.30 174.55 1sjn s VAL 119 N -1.79 0.39 -0.14 3.52 0.11 -0.72 -4.76 120.40 117.01 1sjn s VAL 119 Ca 0.74 -0.85 -0.22 0.00 -2.93 0.00 0.00 61.98 58.73 1sjn s VAL 119 Cb -0.27 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1sjn s VAL 119 CO 0.34 -0.31 0.66 -1.61 -3.33 0.00 0.00 175.10 170.85 1sjn s GLU 120 N -1.24 4.31 -0.96 1.54 0.41 -1.26 -4.68 118.70 116.83 1sjn s GLU 120 Ca -0.09 0.73 -0.16 0.00 -0.41 0.00 0.00 54.97 55.04 1sjn s GLU 120 Cb -0.08 -3.52 0.18 0.00 -1.78 0.00 0.00 34.13 28.93 1sjn s GLU 120 CO -0.00 -0.11 1.06 -0.51 -0.49 0.00 0.00 175.26 175.21 1sjn s LEU 121 N 1.44 5.69 0.39 1.80 1.43 -1.26 -4.97 118.68 123.20 1sjn s LEU 121 Ca 0.32 -2.53 -0.24 0.00 -1.03 0.00 0.00 54.13 50.66 1sjn s LEU 121 Cb -0.16 -2.32 -0.10 0.00 0.03 0.00 0.00 46.19 43.64 1sjn s LEU 121 CO 0.13 -0.79 1.00 0.68 0.23 0.00 0.00 176.35 177.59 1sjn s VAL 122 N 1.39 4.01 -0.42 -1.59 -7.23 -1.26 -5.01 120.40 110.28 1sjn s VAL 122 Ca 0.30 1.48 -0.17 0.00 -1.81 0.00 0.00 61.98 61.77 1sjn s VAL 122 Cb -0.07 -3.73 0.02 0.00 0.56 0.00 0.00 36.38 33.16 1sjn s VAL 122 CO -0.08 -0.05 0.45 -0.70 -0.31 0.00 0.00 175.10 174.41 1sjn s GLU 123 N -2.59 3.11 0.14 4.82 2.56 -1.26 -5.07 118.70 120.41 1sjn s GLU 123 Ca 0.57 -0.73 -0.30 0.00 0.00 0.00 0.00 54.97 54.51 1sjn s GLU 123 Cb -0.18 -3.97 -0.07 0.00 2.00 0.00 0.00 34.13 31.92 1sjn s GLU 123 CO 0.23 -0.86 1.15 -0.51 -0.56 0.00 0.00 175.26 174.71 1sjn s LEU 124 N 2.18 4.44 -0.26 2.70 1.02 -1.26 -5.01 118.68 122.49 1sjn s LEU 124 Ca 0.13 2.10 0.02 0.00 0.02 0.00 0.00 54.13 56.40 1sjn s LEU 124 Cb -0.17 -3.60 0.06 0.00 0.02 0.00 0.00 46.19 42.51 1sjn s LEU 124 CO 0.14 -0.34 -0.08 -0.69 0.02 0.00 0.00 176.35 175.40 1sjn s VAL 125 N 0.21 2.00 0.15 -1.59 1.01 -1.26 -5.10 120.40 115.82 1sjn s VAL 125 Ca 0.53 -1.58 -0.31 0.00 0.00 0.00 0.00 61.98 60.63 1sjn s VAL 125 Cb -0.30 -2.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 1sjn s VAL 125 CO 0.34 -0.09 1.37 -0.70 0.00 0.00 0.00 175.10 176.01 1sjn s GLU 126 N 1.17 4.34 0.19 2.72 2.12 -1.26 -5.03 118.70 122.95 1sjn s GLU 126 Ca -0.07 2.09 0.11 0.00 0.36 0.00 0.00 54.97 57.47 1sjn s GLU 126 Cb -0.20 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1sjn s GLU 126 CO -0.06 -0.38 -0.24 0.14 -0.54 0.00 0.00 175.26 174.19 1sjn s VAL 127 N 0.69 2.31 0.13 3.70 -7.23 -1.26 -5.06 120.40 113.68 1sjn s VAL 127 Ca 0.62 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 1sjn s VAL 127 Cb -0.37 -2.10 -0.19 0.00 0.56 0.00 0.00 36.38 34.27 1sjn s VAL 127 CO 0.34 -0.13 1.29 0.77 -0.31 0.00 0.00 175.10 177.06 1sjn h SER 128 N 3.22 0.49 -5.02 4.85 4.64 -1.95 -3.47 113.55 116.31 1sjn h SER 128 Ca -0.46 -0.41 0.06 0.00 -0.47 0.00 0.00 61.79 60.51 1sjn h SER 128 Cb 1.21 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 63.07 1sjn h SER 128 CO 0.48 1.22 0.26 -0.94 -0.87 0.00 0.00 176.83 176.98 1sjn s SER 129 N -7.08 -0.34 0.02 4.97 1.04 -1.26 -5.07 113.70 105.98 1sjn s SER 129 Ca -0.05 -0.41 -0.19 0.00 0.48 0.00 0.00 55.95 55.78 1sjn s SER 129 Cb 0.09 0.66 -0.24 0.00 0.10 0.00 0.00 66.02 66.63 1sjn s SER 129 CO 0.86 -1.18 1.11 -0.26 0.98 0.00 0.00 173.24 174.75 1sjn h PHE 130 N 2.00 0.69 -0.09 5.02 0.05 -1.92 -2.53 116.94 120.16 1sjn h PHE 130 Ca -0.24 -0.38 0.04 0.00 3.82 0.00 0.00 57.97 61.22 1sjn h PHE 130 Cb 1.26 -0.08 -0.05 0.00 2.00 0.00 0.00 35.95 39.09 1sjn h PHE 130 CO 0.37 1.20 -0.23 0.38 -0.18 0.00 0.00 178.31 179.85 1sjn h ASP 131 N -0.02 -0.71 0.00 2.17 2.03 -1.96 -1.32 116.42 116.60 1sjn h ASP 131 Ca -0.09 0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1sjn h ASP 131 Cb 1.40 0.31 0.00 0.00 -0.83 0.00 0.00 39.33 40.21 1sjn h ASP 131 CO 0.14 -0.29 0.02 -0.33 -1.03 0.00 0.00 179.24 177.74 1sjn h GLU 132 N -0.32 0.00 0.00 4.15 5.08 -1.98 -2.01 114.58 119.50 1sjn h GLU 132 Ca 0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1sjn h GLU 132 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1sjn h GLU 132 CO -0.27 0.00 -0.76 0.00 -1.00 0.00 0.00 179.01 176.98 1sjn h ALA 133 N 1.96 0.66 -0.57 3.43 0.00 -0.78 -3.47 119.26 120.48 1sjn h ALA 133 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1sjn h ALA 133 Cb 0.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sjn h ALA 133 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1sjn n GLY 134 N 1.19 0.93 2.51 0.00 0.00 -0.75 -5.03 105.19 104.03 1sjn n GLY 134 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 1sjn n GLY 134 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1sjn n LEU 135 N -0.29 -1.34 -0.05 0.99 -0.00 -1.19 -5.03 117.00 110.10 1sjn n LEU 135 Ca 0.00 -2.80 -0.02 0.00 -0.00 0.00 0.00 56.01 53.19 1sjn n LEU 135 Cb 0.26 0.29 -0.01 0.00 -0.00 0.00 0.00 43.42 43.96 1sjn n LEU 135 CO 0.00 1.60 -0.15 0.00 -0.00 0.00 0.00 177.39 178.84 1sjn h ALA 136 N 1.15 0.00 -1.63 1.47 0.00 -1.85 -3.46 119.26 114.94 1sjn h ALA 136 Ca -0.35 -0.25 -0.47 0.00 0.00 0.00 0.00 54.91 53.84 1sjn h ALA 136 Cb 1.25 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.27 1sjn h ALA 136 CO -0.13 0.22 1.63 0.45 0.00 0.00 0.00 179.25 181.42 1sjn s SER 137 N -5.10 4.49 0.26 0.00 0.15 -1.26 -4.93 113.70 107.30 1sjn s SER 137 Ca -0.06 1.14 0.08 0.00 0.70 0.00 0.00 55.95 57.80 1sjn s SER 137 Cb 0.01 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 1sjn s SER 137 CO 0.09 -2.83 -0.11 0.42 1.20 0.00 0.00 173.24 172.01 1sjn s THR 138 N 12.00 1.85 0.37 6.45 -4.23 -1.26 -5.01 115.64 125.81 1sjn s THR 138 Ca 0.98 -2.20 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 1sjn s THR 138 Cb -0.18 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.43 1sjn s THR 138 CO 0.27 -0.40 0.64 -1.54 -0.54 0.00 0.00 174.62 173.04 1sjn n SER 139 N -0.54 0.00 0.00 3.99 3.41 -1.26 -5.32 113.62 113.90 1sjn n SER 139 Ca -0.06 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1sjn n SER 139 Cb 0.62 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1sjn n SER 139 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42