#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snf s THR 3 N 0.00 3.05 -0.05 6.66 2.01 -1.26 -5.05 115.64 121.00 1snf s THR 3 Ca 0.00 1.04 -0.12 0.00 0.31 0.00 0.00 61.69 62.92 1snf s THR 3 Cb 0.00 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1snf s THR 3 CO 0.00 0.24 0.31 -0.89 -0.69 0.00 0.00 174.62 173.59 1snf s THR 4 N -1.05 5.22 -0.30 -0.82 2.01 -1.26 -5.09 115.64 114.36 1snf s THR 4 Ca 0.48 0.60 -0.05 0.00 0.31 0.00 0.00 61.69 63.02 1snf s THR 4 Cb -0.37 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.57 1snf s THR 4 CO 0.47 0.58 0.05 -0.22 -0.69 0.00 0.00 174.62 174.81 1snf s LEU 5 N -0.96 3.85 0.23 4.42 2.96 -1.26 -4.87 118.68 123.06 1snf s LEU 5 Ca 0.20 -0.92 -0.30 0.00 -0.22 0.00 0.00 54.13 52.89 1snf s LEU 5 Cb -0.15 -1.82 -0.09 0.00 0.50 0.00 0.00 46.19 44.64 1snf s LEU 5 CO 0.09 -0.22 1.02 0.00 -1.32 0.00 0.00 176.35 175.93 1snf s ALA 6 N 1.41 3.36 -0.03 5.97 0.00 -1.26 -4.93 121.76 126.28 1snf s ALA 6 Ca 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 1snf s ALA 6 Cb -0.18 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1snf s ALA 6 CO 0.01 -0.01 0.07 -1.50 0.00 0.00 0.00 175.76 174.33 1snf s ILE 7 N -0.93 -0.01 -0.18 0.00 2.07 -1.26 -1.91 121.20 118.98 1snf s ILE 7 Ca 0.44 0.04 -0.05 0.00 -1.41 0.00 0.00 60.65 59.68 1snf s ILE 7 Cb -0.28 -0.11 -0.03 0.00 0.13 0.00 0.00 42.46 42.17 1snf s ILE 7 CO 0.36 0.02 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.71 1snf s VAL 8 N 0.27 4.05 -0.93 4.00 1.01 0.04 -4.99 120.40 123.85 1snf s VAL 8 Ca -0.02 -0.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 1snf s VAL 8 Cb -0.03 -2.81 0.11 0.00 0.00 0.00 0.00 36.38 33.65 1snf s VAL 8 CO -0.01 0.46 1.19 -0.13 0.00 0.00 0.00 175.10 176.61 1snf s ARG 9 N 0.64 3.56 0.32 2.72 0.52 -1.26 -0.73 118.95 124.72 1snf s ARG 9 Ca -0.01 -1.53 0.02 0.00 -0.52 0.00 0.00 55.73 53.70 1snf s ARG 9 Cb -0.14 -4.96 0.55 0.00 0.52 0.00 0.00 34.95 30.92 1snf s ARG 9 CO 0.02 -1.88 1.89 -0.07 0.02 0.00 0.00 175.30 175.28 1snf h LEU 10 N 11.06 0.62 -8.17 2.53 3.38 -1.20 -3.33 115.31 120.20 1snf h LEU 10 Ca 0.13 -0.09 -0.72 0.00 0.09 0.00 0.00 57.88 57.28 1snf h LEU 10 Cb 1.02 -0.16 -0.26 0.00 0.09 0.00 0.00 40.66 41.35 1snf h LEU 10 CO 1.19 0.61 -0.43 -0.62 0.09 0.00 0.00 178.44 179.28 1snf s ASP 11 N -6.65 5.77 0.02 -0.43 -1.08 -0.65 -4.99 116.67 108.67 1snf s ASP 11 Ca -0.09 -1.45 0.20 0.00 -0.52 0.00 0.00 52.55 50.69 1snf s ASP 11 Cb 0.16 -2.04 0.85 0.00 -1.46 0.00 0.00 42.92 40.43 1snf s ASP 11 CO 0.77 -0.56 1.64 -0.81 0.52 0.00 0.00 175.17 176.73 1snf n PRO 12 N 4.99 0.02 0.00 4.34 -0.04 -1.25 -3.15 135.00 139.90 1snf n PRO 12 Ca -0.11 0.18 0.14 0.00 -0.04 0.00 0.00 63.50 63.67 1snf n PRO 12 Cb 0.43 -1.53 0.48 0.00 -0.04 0.00 0.00 33.50 32.84 1snf n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1snf n GLY 13 N 0.53 -0.23 3.89 0.55 0.00 -1.26 -4.84 105.19 103.82 1snf n GLY 13 Ca 0.05 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1snf n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1snf s LEU 14 N -2.18 4.31 0.64 0.99 1.43 -1.19 -5.07 118.68 117.62 1snf s LEU 14 Ca 0.33 0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 53.86 1snf s LEU 14 Cb 0.20 -3.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 1snf s LEU 14 CO 0.40 0.13 1.23 -2.16 0.23 0.00 0.00 176.35 176.18 1snf s PRO 15 N -2.31 2.63 0.20 1.29 0.04 -1.26 -4.97 135.00 130.62 1snf s PRO 15 Ca 0.36 1.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.97 1snf s PRO 15 Cb -0.13 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 1snf s PRO 15 CO 0.22 -1.48 1.43 -1.17 0.04 0.00 0.00 177.00 176.04 1snf s LEU 16 N -4.45 4.39 0.38 -3.56 2.96 -1.26 -4.95 118.68 112.19 1snf s LEU 16 Ca 0.78 2.55 -0.25 0.00 -0.22 0.00 0.00 54.13 56.99 1snf s LEU 16 Cb -0.32 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 42.65 1snf s LEU 16 CO 0.38 -0.68 0.99 -2.65 -1.32 0.00 0.00 176.35 173.07 1snf n PRO 17 N 3.00 1.34 -4.03 0.98 -0.02 -1.26 -5.00 135.00 130.01 1snf n PRO 17 Ca 0.09 0.48 -0.08 0.00 -2.02 0.00 0.00 63.50 61.97 1snf n PRO 17 Cb 0.41 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 1snf n PRO 17 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1snf s SER 18 N -0.69 0.36 -0.39 2.55 1.04 -1.26 -4.99 113.70 110.33 1snf s SER 18 Ca 0.62 -0.77 -0.21 0.00 0.48 0.00 0.00 55.95 56.07 1snf s SER 18 Cb -0.59 0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.70 1snf s SER 18 CO 0.58 -0.48 0.64 -0.60 0.98 0.00 0.00 173.24 174.36 1snf s ARG 19 N -2.89 3.52 0.29 4.02 3.52 -1.26 -3.74 118.95 122.40 1snf s ARG 19 Ca -0.03 -0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.47 1snf s ARG 19 Cb 0.00 -3.87 0.43 0.00 -1.56 0.00 0.00 34.95 29.95 1snf s ARG 19 CO -0.06 -0.85 1.77 0.00 -0.81 0.00 0.00 175.30 175.35 1snf h ALA 20 N 8.64 1.16 -3.06 6.12 0.00 -1.95 -3.44 119.26 126.74 1snf h ALA 20 Ca -0.26 -0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.10 1snf h ALA 20 Cb 1.10 -0.15 -0.20 0.00 0.00 0.00 0.00 17.79 18.54 1snf h ALA 20 CO 0.86 0.53 -0.73 -1.01 0.00 0.00 0.00 179.25 178.90 1snf s HIS 21 N -4.79 0.68 0.40 0.00 3.76 -1.26 -5.08 115.29 109.00 1snf s HIS 21 Ca -0.08 -0.55 0.18 0.00 -0.15 0.00 0.00 55.06 54.46 1snf s HIS 21 Cb 0.14 -0.41 1.10 0.00 1.11 0.00 0.00 32.58 34.52 1snf s HIS 21 CO 0.79 -0.10 1.80 -0.44 -0.85 0.00 0.00 174.74 175.94 1snf h ASP 22 N 4.32 0.44 -0.45 1.40 3.32 -2.02 -1.67 116.42 121.75 1snf h ASP 22 Ca -0.36 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1snf h ASP 22 Cb 1.20 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1snf h ASP 22 CO 0.43 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.68 1snf n GLY 23 N -1.49 3.01 3.77 2.75 0.00 -1.26 -5.00 105.19 106.97 1snf n GLY 23 Ca 0.23 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 1snf n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1snf s ASP 24 N -1.17 6.65 0.20 1.61 1.01 -0.63 -4.90 116.67 119.44 1snf s ASP 24 Ca 0.37 2.44 -0.01 0.00 0.71 0.00 0.00 52.55 56.06 1snf s ASP 24 Cb 0.24 -2.63 0.14 0.00 1.01 0.00 0.00 42.92 41.68 1snf s ASP 24 CO 0.19 -0.59 1.51 0.00 0.21 0.00 0.00 175.17 176.49 1snf h ALA 25 N 2.96 0.73 -1.85 5.23 0.00 -1.94 -3.46 119.26 120.92 1snf h ALA 25 Ca -0.49 -0.52 -0.60 0.00 0.00 0.00 0.00 54.91 53.30 1snf h ALA 25 Cb 1.23 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 1snf h ALA 25 CO 0.64 0.70 -0.62 0.20 0.00 0.00 0.00 179.25 180.16 1snf s GLY 26 N -4.18 2.20 -0.02 0.00 0.00 -1.26 -4.56 107.32 99.50 1snf s GLY 26 Ca -0.06 -2.07 0.03 0.00 0.00 0.00 0.00 44.72 42.62 1snf s GLY 26 CO 0.83 -1.97 -0.09 -1.34 0.00 0.00 0.00 173.10 170.53 1snf s VAL 27 N -2.58 3.47 0.14 1.40 -7.23 -0.45 -4.59 120.40 110.55 1snf s VAL 27 Ca 0.35 -0.74 -0.24 0.00 -1.81 0.00 0.00 61.98 59.53 1snf s VAL 27 Cb 0.03 -2.46 -0.08 0.00 0.56 0.00 0.00 36.38 34.43 1snf s VAL 27 CO 0.19 0.47 0.74 -1.81 -0.31 0.00 0.00 175.10 174.37 1snf s ASP 28 N -1.17 7.32 -0.05 4.85 1.01 -1.25 0.01 116.67 127.39 1snf s ASP 28 Ca 0.15 1.56 -0.04 0.00 0.71 0.00 0.00 52.55 54.93 1snf s ASP 28 Cb -0.11 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1snf s ASP 28 CO 0.05 0.21 0.13 -0.76 0.21 0.00 0.00 175.17 175.01 1snf s LEU 29 N -1.06 4.20 0.25 1.23 1.43 -0.34 -4.37 118.68 120.01 1snf s LEU 29 Ca 0.35 0.33 0.06 0.00 -1.03 0.00 0.00 54.13 53.83 1snf s LEU 29 Cb -0.22 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1snf s LEU 29 CO 0.25 0.33 0.27 -0.31 0.23 0.00 0.00 176.35 177.11 1snf s TYR 30 N -1.16 3.25 0.02 0.29 1.51 -1.26 -0.85 117.35 119.15 1snf s TYR 30 Ca 0.21 -0.08 -0.16 0.00 -1.01 0.00 0.00 57.07 56.03 1snf s TYR 30 Cb -0.12 -1.48 -0.06 0.00 -0.11 0.00 0.00 41.96 40.19 1snf s TYR 30 CO 0.11 0.48 0.45 0.45 -1.11 0.00 0.00 175.55 175.93 1snf s SER 31 N -3.90 6.87 0.00 2.29 0.15 -0.25 -4.22 113.70 114.64 1snf s SER 31 Ca 0.33 1.04 0.24 0.00 0.70 0.00 0.00 55.95 58.27 1snf s SER 31 Cb -0.08 -2.28 0.36 0.00 -1.71 0.00 0.00 66.02 62.31 1snf s SER 31 CO 0.27 0.30 1.31 0.00 1.20 0.00 0.00 173.24 176.32 1snf n ALA 32 N 1.85 3.66 -2.28 5.45 0.00 -0.48 -0.13 120.51 128.58 1snf n ALA 32 Ca -0.13 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 52.74 1snf n ALA 32 Cb 0.52 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 1snf n ALA 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1snf s GLU 33 N -2.79 0.83 -0.09 0.00 -1.05 -1.26 -4.79 118.70 109.56 1snf s GLU 33 Ca 0.15 -1.28 -0.15 0.00 -0.15 0.00 0.00 54.97 53.54 1snf s GLU 33 Cb 0.18 -0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 33.52 1snf s GLU 33 CO 0.67 0.01 0.39 -0.51 0.95 0.00 0.00 175.26 176.76 1snf s ASP 34 N -2.86 6.64 -0.01 0.83 1.01 -1.26 -2.53 116.67 118.49 1snf s ASP 34 Ca 0.10 0.76 -0.05 0.00 0.71 0.00 0.00 52.55 54.07 1snf s ASP 34 Cb 0.03 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1snf s ASP 34 CO -0.03 0.15 0.10 -0.69 0.21 0.00 0.00 175.17 174.91 1snf s VAL 35 N -0.05 0.06 -0.11 -1.27 1.01 0.35 -4.96 120.40 115.42 1snf s VAL 35 Ca 0.22 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1snf s VAL 35 Cb -0.15 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 35.94 1snf s VAL 35 CO 0.09 -0.26 -0.12 -0.70 0.00 0.00 0.00 175.10 174.11 1snf s GLU 36 N -0.86 1.92 -0.31 2.72 2.12 -1.26 -1.00 118.70 122.02 1snf s GLU 36 Ca -0.09 -0.43 -0.07 0.00 0.36 0.00 0.00 54.97 54.73 1snf s GLU 36 Cb -0.05 -1.75 0.02 0.00 0.26 0.00 0.00 34.13 32.60 1snf s GLU 36 CO 0.01 -0.16 0.10 -0.51 -0.54 0.00 0.00 175.26 174.16 1snf s LEU 37 N 1.29 4.07 0.81 2.70 1.43 -0.34 -4.95 118.68 123.68 1snf s LEU 37 Ca -0.01 -0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 1snf s LEU 37 Cb -0.14 -1.90 0.08 0.00 0.03 0.00 0.00 46.19 44.26 1snf s LEU 37 CO -0.05 -0.24 1.11 0.00 0.23 0.00 0.00 176.35 177.40 1snf s ALA 38 N 1.49 2.03 -0.13 4.21 0.00 -1.26 -0.88 121.76 127.22 1snf s ALA 38 Ca 0.02 0.39 -0.40 0.00 0.00 0.00 0.00 51.96 51.97 1snf s ALA 38 Cb -0.18 -3.33 -0.17 0.00 0.00 0.00 0.00 23.12 19.44 1snf s ALA 38 CO 0.03 -2.05 1.48 -2.30 0.00 0.00 0.00 175.76 172.93 1snf n PRO 39 N -3.67 0.84 -0.83 0.00 -0.02 -1.26 -0.75 135.00 129.31 1snf n PRO 39 Ca 0.10 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1snf n PRO 39 Cb 0.53 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1snf n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1snf n GLY 40 N 3.16 1.14 3.91 -1.23 0.00 0.10 -5.02 105.19 107.26 1snf n GLY 40 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1snf n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1snf s ARG 41 N -0.08 3.59 0.25 1.61 0.52 0.07 -4.79 118.95 120.11 1snf s ARG 41 Ca 0.00 -0.13 0.08 0.00 -0.52 0.00 0.00 55.73 55.16 1snf s ARG 41 Cb 0.00 -2.71 -0.05 0.00 0.52 0.00 0.00 34.95 32.71 1snf s ARG 41 CO 0.00 0.27 -0.12 -0.98 0.02 0.00 0.00 175.30 174.49 1snf s ARG 42 N -3.53 1.48 -0.06 3.54 1.70 -1.26 -2.08 118.95 118.74 1snf s ARG 42 Ca 0.42 -1.70 -0.21 0.00 -0.47 0.00 0.00 55.73 53.77 1snf s ARG 42 Cb -0.11 -1.25 0.04 0.00 -0.57 0.00 0.00 34.95 33.06 1snf s ARG 42 CO 0.30 0.15 0.47 0.00 -1.08 0.00 0.00 175.30 175.14 1snf s ALA 43 N -2.90 -1.20 -0.42 7.88 0.00 -0.69 -5.01 121.76 119.41 1snf s ALA 43 Ca 0.26 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 52.95 1snf s ALA 43 Cb 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.04 1snf s ALA 43 CO 0.10 -0.29 0.31 -1.17 0.00 0.00 0.00 175.76 174.71 1snf s LEU 44 N -0.97 5.21 -0.18 0.00 2.96 -1.26 -1.09 118.68 123.35 1snf s LEU 44 Ca -0.10 -1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 52.69 1snf s LEU 44 Cb -0.03 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1snf s LEU 44 CO 0.05 -0.50 0.04 -0.69 -1.32 0.00 0.00 176.35 173.94 1snf s VAL 45 N 1.65 4.64 0.32 1.68 1.01 0.11 -4.87 120.40 124.94 1snf s VAL 45 Ca 0.04 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.66 1snf s VAL 45 Cb -0.21 -3.08 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1snf s VAL 45 CO 0.08 0.47 1.06 -0.13 0.00 0.00 0.00 175.10 176.59 1snf s ARG 46 N 0.33 4.47 -0.00 2.72 0.52 -1.26 -0.43 118.95 125.30 1snf s ARG 46 Ca 0.02 1.66 0.22 0.00 -0.52 0.00 0.00 55.73 57.10 1snf s ARG 46 Cb -0.13 -2.94 -0.21 0.00 0.52 0.00 0.00 34.95 32.20 1snf s ARG 46 CO 0.01 0.10 0.82 0.25 0.02 0.00 0.00 175.30 176.49 1snf n THR 47 N 0.71 0.02 -0.99 0.02 -2.24 -0.91 -1.39 114.28 109.50 1snf n THR 47 Ca 0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1snf n THR 47 Cb 0.47 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1snf n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1snf n GLY 48 N 1.42 0.75 3.18 3.38 0.00 -1.26 -4.48 105.19 108.18 1snf n GLY 48 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1snf n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snf s VAL 49 N -3.04 1.08 0.09 1.61 -7.23 -1.26 -0.61 120.40 111.05 1snf s VAL 49 Ca 0.00 -1.46 0.08 0.00 -1.81 0.00 0.00 61.98 58.78 1snf s VAL 49 Cb 0.00 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 1snf s VAL 49 CO 0.00 -0.36 -0.20 0.00 -0.31 0.00 0.00 175.10 174.23 1snf s ALA 50 N -1.75 1.70 0.25 1.32 0.00 0.09 -1.62 121.76 121.75 1snf s ALA 50 Ca 0.02 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.83 1snf s ALA 50 Cb -0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 1snf s ALA 50 CO 0.02 0.34 0.02 0.14 0.00 0.00 0.00 175.76 176.27 1snf s VAL 51 N -1.12 1.00 -0.64 0.00 -7.23 -1.26 -0.78 120.40 110.37 1snf s VAL 51 Ca 0.05 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 1snf s VAL 51 Cb -0.10 -2.44 0.16 0.00 0.56 0.00 0.00 36.38 34.57 1snf s VAL 51 CO 0.04 -0.24 0.43 0.00 -0.31 0.00 0.00 175.10 175.02 1snf s ALA 52 N -3.44 3.41 -0.02 1.32 0.00 -0.80 -4.47 121.76 117.75 1snf s ALA 52 Ca 0.31 -3.56 -0.31 0.00 0.00 0.00 0.00 51.96 48.40 1snf s ALA 52 Cb 0.06 -2.09 -0.10 0.00 0.00 0.00 0.00 23.12 21.00 1snf s ALA 52 CO 0.10 -2.07 1.98 0.28 0.00 0.00 0.00 175.76 176.04 1snf n VAL 53 N 2.29 0.68 -1.43 0.00 0.31 -1.26 -4.33 118.33 114.58 1snf n VAL 53 Ca 0.18 -0.16 -0.36 0.00 -0.01 0.00 0.00 64.34 64.00 1snf n VAL 53 Cb 0.36 -2.21 0.09 0.00 -0.91 0.00 0.00 33.84 31.17 1snf n VAL 53 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1snf n PRO 54 N 7.41 0.66 -1.71 5.55 -0.02 -1.26 -4.49 135.00 141.14 1snf n PRO 54 Ca 0.22 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 1snf n PRO 54 Cb 0.38 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 1snf n PRO 54 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1snf n PHE 55 N -2.50 2.61 -0.01 6.00 7.35 -1.26 -1.17 117.46 128.48 1snf n PHE 55 Ca 0.14 0.23 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 1snf n PHE 55 Cb 0.49 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 37.73 1snf n PHE 55 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1snf n GLY 56 N 2.88 0.23 3.61 7.13 0.00 -1.26 -5.05 105.19 112.73 1snf n GLY 56 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1snf n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1snf s MET 57 N -0.97 1.95 -0.02 1.61 -1.94 -0.31 -1.53 119.30 118.09 1snf s MET 57 Ca 0.00 -2.14 -0.05 0.00 -1.71 0.00 0.00 55.69 51.79 1snf s MET 57 Cb 0.00 -1.43 0.00 0.00 2.01 0.00 0.00 34.83 35.42 1snf s MET 57 CO 0.00 -0.16 0.11 0.54 -0.01 0.00 0.00 175.02 175.50 1snf s VAL 58 N -2.87 0.05 -0.10 -6.03 0.11 -0.36 -4.26 120.40 106.94 1snf s VAL 58 Ca 0.29 -0.44 -0.12 0.00 -2.93 0.00 0.00 61.98 58.78 1snf s VAL 58 Cb 0.08 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 1snf s VAL 58 CO 0.14 -0.24 0.27 -0.83 -3.33 0.00 0.00 175.10 171.11 1snf s GLY 59 N -0.81 2.26 -0.08 6.54 0.00 -0.56 -1.54 107.32 113.14 1snf s GLY 59 Ca -0.09 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.18 1snf s GLY 59 CO 0.01 0.08 -0.09 1.08 0.00 0.00 0.00 173.10 174.18 1snf s LEU 60 N -0.45 1.40 -0.30 0.66 1.43 -0.02 -0.59 118.68 120.81 1snf s LEU 60 Ca 0.18 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 52.93 1snf s LEU 60 Cb -0.14 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 1snf s LEU 60 CO 0.06 -0.04 0.13 -0.69 0.23 0.00 0.00 176.35 176.05 1snf s VAL 61 N 1.08 4.50 0.10 -1.59 1.01 0.49 -1.05 120.40 124.93 1snf s VAL 61 Ca -0.07 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1snf s VAL 61 Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1snf s VAL 61 CO -0.01 0.10 -0.17 -1.00 0.00 0.00 0.00 175.10 174.02 1snf s HIS 62 N 1.60 2.56 0.61 5.22 3.76 -0.06 -0.93 115.29 128.04 1snf s HIS 62 Ca 0.05 -0.25 -0.15 0.00 -0.15 0.00 0.00 55.06 54.55 1snf s HIS 62 Cb -0.17 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.11 1snf s HIS 62 CO 0.06 0.36 1.06 -2.14 -0.85 0.00 0.00 174.74 173.22 1snf s PRO 63 N -1.97 3.23 0.14 8.40 0.02 -1.26 -1.09 135.00 142.47 1snf s PRO 63 Ca 0.17 1.18 -0.29 0.00 0.02 0.00 0.00 61.00 62.09 1snf s PRO 63 Cb -0.11 -2.02 -0.07 0.00 0.02 0.00 0.00 34.50 32.32 1snf s PRO 63 CO 0.09 -0.88 0.91 1.03 -0.33 0.00 0.00 177.00 177.82 1snf s ARG 64 N -4.21 4.70 0.14 5.54 0.52 -1.26 -4.70 118.95 119.68 1snf s ARG 64 Ca 0.63 1.38 -0.10 0.00 -0.52 0.00 0.00 55.73 57.11 1snf s ARG 64 Cb -0.16 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 1snf s ARG 64 CO 0.40 0.35 1.46 0.66 0.02 0.00 0.00 175.30 178.19 1snf h SER 65 N 5.06 0.97 0.31 0.23 4.64 -1.96 -2.80 113.55 119.99 1snf h SER 65 Ca -0.44 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.41 1snf h SER 65 Cb 1.21 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 1snf h SER 65 CO 0.70 1.26 -0.36 1.23 -0.87 0.00 0.00 176.83 178.79 1snf h GLY 66 N 0.78 -0.82 2.00 -0.77 0.00 -1.99 -2.26 103.07 100.01 1snf h GLY 66 Ca 0.05 0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 1snf h GLY 66 CO 0.10 -0.29 -0.26 1.41 0.00 0.00 0.00 176.54 177.50 1snf h LEU 67 N -0.71 0.00 -0.27 3.11 3.38 -1.92 0.22 115.31 119.12 1snf h LEU 67 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1snf h LEU 67 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1snf h LEU 67 CO -0.10 0.26 0.07 0.00 0.09 0.00 0.00 178.44 178.76 1snf h ALA 68 N 1.74 0.36 0.02 1.53 0.00 -1.16 -1.11 119.26 120.64 1snf h ALA 68 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1snf h ALA 68 Cb 0.47 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1snf h ALA 68 CO 0.03 0.01 -0.30 1.15 0.00 0.00 0.00 179.25 180.14 1snf h THR 69 N 0.27 1.57 -0.31 0.00 2.02 -1.21 -2.28 112.91 112.97 1snf h THR 69 Ca 0.09 -2.08 -0.04 0.00 0.77 0.00 0.00 66.41 65.15 1snf h THR 69 Cb 0.27 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 1snf h THR 69 CO -0.00 0.57 0.03 0.03 0.37 0.00 0.00 175.52 176.52 1snf h ARG 70 N -0.53 0.52 0.00 6.66 3.08 -0.86 -3.35 114.38 119.90 1snf h ARG 70 Ca -0.04 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1snf h ARG 70 Cb 1.09 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1snf h ARG 70 CO 0.06 0.63 0.00 1.33 -1.07 0.00 0.00 179.97 180.92 1snf n VAL 71 N -4.60 0.28 -2.08 2.04 0.24 -0.44 -5.02 118.33 108.74 1snf n VAL 71 Ca -0.02 -0.54 -0.05 0.00 -2.04 0.00 0.00 64.34 61.68 1snf n VAL 71 Cb 0.23 0.99 -0.00 0.00 -1.47 0.00 0.00 33.84 33.59 1snf n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1snf n GLY 72 N -0.14 0.16 3.67 7.63 0.00 -0.86 -4.20 105.19 111.44 1snf n GLY 72 Ca 0.00 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1snf n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1snf s LEU 73 N -1.58 4.16 0.00 0.99 2.96 -1.07 -1.05 118.68 123.09 1snf s LEU 73 Ca 0.00 1.11 0.05 0.00 -0.22 0.00 0.00 54.13 55.08 1snf s LEU 73 Cb 0.00 -3.18 -0.02 0.00 0.50 0.00 0.00 46.19 43.49 1snf s LEU 73 CO 0.00 -0.39 0.18 -0.24 -1.32 0.00 0.00 176.35 174.58 1snf n SER 74 N 5.26 0.54 -3.98 3.68 2.88 -0.62 -3.85 113.62 117.54 1snf n SER 74 Ca 0.04 -3.05 -0.27 0.00 -1.33 0.00 0.00 58.87 54.25 1snf n SER 74 Cb 0.49 1.19 -0.17 0.00 -0.75 0.00 0.00 64.21 64.97 1snf n SER 74 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1snf s ILE 75 N -3.10 1.25 0.19 2.46 1.01 -1.26 -1.01 121.20 120.74 1snf s ILE 75 Ca 0.26 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.32 1snf s ILE 75 Cb 0.01 -1.19 0.10 0.00 0.01 0.00 0.00 42.46 41.39 1snf s ILE 75 CO 0.18 0.40 1.80 0.58 0.00 0.00 0.00 174.94 177.90 1snf h VAL 76 N 6.06 0.98 -0.59 2.92 2.07 -1.19 -2.52 116.25 123.98 1snf h VAL 76 Ca -0.32 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 66.88 1snf h VAL 76 Cb 1.15 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 1snf h VAL 76 CO 0.46 0.11 0.15 -0.46 0.02 0.00 0.00 177.57 177.85 1snf n ASN 77 N -4.84 4.67 -4.76 0.57 6.94 -1.26 -5.00 115.26 111.58 1snf n ASN 77 Ca 0.05 -2.95 -0.41 0.00 -0.02 0.00 0.00 54.58 51.25 1snf n ASN 77 Cb 0.13 -0.70 -0.01 0.00 -2.36 0.00 0.00 39.78 36.85 1snf n ASN 77 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1snf s SER 78 N -0.74 6.33 0.05 0.53 0.15 -0.95 -3.01 113.70 116.07 1snf s SER 78 Ca 0.47 3.01 -0.30 0.00 0.70 0.00 0.00 55.95 59.83 1snf s SER 78 Cb 0.37 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 1snf s SER 78 CO 0.12 -0.92 1.01 -2.16 1.20 0.00 0.00 173.24 172.49 1snf s PRO 79 N -1.09 4.59 0.05 5.44 0.04 -1.26 -5.09 135.00 137.67 1snf s PRO 79 Ca 0.60 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 1snf s PRO 79 Cb -0.48 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 1snf s PRO 79 CO 0.54 0.01 1.13 0.20 0.04 0.00 0.00 177.00 178.92 1snf s GLY 80 N 0.66 2.58 -0.29 0.56 0.00 -0.11 -4.76 107.32 105.96 1snf s GLY 80 Ca 0.51 0.76 -0.11 0.00 0.00 0.00 0.00 44.72 45.88 1snf s GLY 80 CO 0.29 1.91 0.19 -1.59 0.00 0.00 0.00 173.10 173.90 1snf s THR 81 N 0.95 5.18 -0.33 0.90 2.01 -1.26 -0.38 115.64 122.71 1snf s THR 81 Ca 0.56 0.03 -0.09 0.00 0.31 0.00 0.00 61.69 62.50 1snf s THR 81 Cb -0.27 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1snf s THR 81 CO 0.29 0.19 0.14 -0.63 -0.69 0.00 0.00 174.62 173.93 1snf s ILE 82 N 1.73 4.26 0.51 1.82 -1.09 0.25 -4.98 121.20 123.71 1snf s ILE 82 Ca 0.07 -0.79 -0.17 0.00 -2.23 0.00 0.00 60.65 57.53 1snf s ILE 82 Cb -0.16 -3.30 -0.08 0.00 -1.58 0.00 0.00 42.46 37.34 1snf s ILE 82 CO 0.10 -0.09 0.99 -1.81 -1.23 0.00 0.00 174.94 172.90 1snf s ASP 83 N 1.52 6.60 0.51 3.58 1.01 -1.26 -1.50 116.67 127.13 1snf s ASP 83 Ca 0.02 1.59 0.20 0.00 0.71 0.00 0.00 52.55 55.07 1snf s ASP 83 Cb -0.18 -2.51 1.29 0.00 1.01 0.00 0.00 42.92 42.53 1snf s ASP 83 CO 0.05 -0.61 2.06 0.00 0.21 0.00 0.00 175.17 176.88 1snf h ALA 84 N 0.96 2.22 0.00 5.23 0.00 -1.79 -2.06 119.26 123.83 1snf h ALA 84 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1snf h ALA 84 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1snf h ALA 84 CO 0.61 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1snf n GLY 85 N -1.58 -1.40 3.70 0.00 0.00 -1.26 -4.43 105.19 100.21 1snf n GLY 85 Ca 0.04 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1snf n GLY 85 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1snf s TYR 86 N -2.96 3.58 -0.04 1.61 5.04 -0.77 -4.94 117.35 118.86 1snf s TYR 86 Ca 0.14 1.61 0.06 0.00 -2.44 0.00 0.00 57.07 56.45 1snf s TYR 86 Cb 0.18 -3.14 0.10 0.00 0.35 0.00 0.00 41.96 39.45 1snf s TYR 86 CO 0.48 -0.12 0.99 0.54 -1.34 0.00 0.00 175.55 176.10 1snf n ARG 87 N 4.48 1.75 -2.28 4.97 5.12 -1.26 -4.65 116.66 124.79 1snf n ARG 87 Ca 0.07 -1.69 -0.23 0.00 -1.93 0.00 0.00 57.85 54.07 1snf n ARG 87 Cb 0.50 -1.06 0.13 0.00 -1.16 0.00 0.00 32.46 30.88 1snf n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1snf n GLY 88 N -0.70 0.11 3.75 -0.13 0.00 -1.26 -4.80 105.19 102.16 1snf n GLY 88 Ca 0.05 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 1snf n GLY 88 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1snf s GLU 89 N -5.14 4.23 -0.14 1.61 2.12 -1.26 -4.39 118.70 115.73 1snf s GLU 89 Ca 0.64 2.37 -0.29 0.00 0.36 0.00 0.00 54.97 58.05 1snf s GLU 89 Cb -0.03 -3.09 -0.02 0.00 0.26 0.00 0.00 34.13 31.25 1snf s GLU 89 CO 0.43 -0.47 1.34 0.42 -0.54 0.00 0.00 175.26 176.44 1snf s ILE 90 N -0.02 4.14 -0.05 -3.70 1.01 -0.64 -4.98 121.20 116.96 1snf s ILE 90 Ca 0.60 1.39 0.05 0.00 0.00 0.00 0.00 60.65 62.69 1snf s ILE 90 Cb -0.43 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 1snf s ILE 90 CO 0.45 -0.12 -0.21 -0.54 0.00 0.00 0.00 174.94 174.52 1snf s LYS 91 N 3.54 2.43 -0.19 2.79 1.02 -1.26 -2.13 119.74 125.94 1snf s LYS 91 Ca 0.58 -0.82 -0.04 0.00 0.02 0.00 0.00 55.97 55.71 1snf s LYS 91 Cb -0.24 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1snf s LYS 91 CO 0.18 0.52 -0.03 0.08 -0.92 0.00 0.00 175.35 175.18 1snf s VAL 92 N -0.50 3.72 -1.17 3.17 1.01 0.43 -4.88 120.40 122.18 1snf s VAL 92 Ca 0.06 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 1snf s VAL 92 Cb -0.11 -2.66 0.19 0.00 0.00 0.00 0.00 36.38 33.80 1snf s VAL 92 CO 0.01 0.45 1.34 0.00 0.00 0.00 0.00 175.10 176.90 1snf s ALA 93 N 0.88 4.13 0.40 5.51 0.00 -1.26 -0.71 121.76 130.72 1snf s ALA 93 Ca -0.00 -3.44 -0.24 0.00 0.00 0.00 0.00 51.96 48.28 1snf s ALA 93 Cb -0.14 -3.99 -0.09 0.00 0.00 0.00 0.00 23.12 18.90 1snf s ALA 93 CO 0.01 -2.65 1.10 -0.51 0.00 0.00 0.00 175.76 173.71 1snf s LEU 94 N 0.99 4.15 -0.02 0.00 1.43 -0.25 -0.66 118.68 124.31 1snf s LEU 94 Ca 0.39 2.17 -0.03 0.00 -1.03 0.00 0.00 54.13 55.63 1snf s LEU 94 Cb -0.05 -4.13 0.01 0.00 0.03 0.00 0.00 46.19 42.05 1snf s LEU 94 CO -0.02 -0.59 0.08 -0.51 0.23 0.00 0.00 176.35 175.53 1snf s ILE 95 N -1.56 0.01 -0.72 -0.59 2.07 -0.18 -1.71 121.20 118.53 1snf s ILE 95 Ca 0.58 -0.09 -0.22 0.00 -1.41 0.00 0.00 60.65 59.50 1snf s ILE 95 Cb -0.26 -0.14 0.08 0.00 0.13 0.00 0.00 42.46 42.26 1snf s ILE 95 CO 0.32 -0.05 1.03 0.21 -1.91 0.00 0.00 174.94 174.54 1snf s ASN 96 N -0.13 6.25 0.00 4.50 3.84 -0.88 -1.58 114.94 126.93 1snf s ASN 96 Ca -0.02 -1.12 0.24 0.00 0.21 0.00 0.00 52.86 52.18 1snf s ASN 96 Cb -0.02 -2.43 1.35 0.00 -0.55 0.00 0.00 41.25 39.61 1snf s ASN 96 CO 0.00 -1.42 1.88 0.18 -2.79 0.00 0.00 177.10 174.95 1snf n LEU 97 N 7.71 0.28 -4.76 3.21 4.77 -0.22 -0.72 117.00 127.27 1snf n LEU 97 Ca 0.02 -0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 55.49 1snf n LEU 97 Cb 0.46 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1snf n LEU 97 CO 0.63 0.05 0.88 -0.62 -1.33 0.00 0.00 177.39 177.00 1snf s ASP 98 N -1.76 7.05 0.41 -1.43 2.15 -1.25 -4.92 116.67 116.92 1snf s ASP 98 Ca 0.36 2.45 0.28 0.00 0.43 0.00 0.00 52.55 56.08 1snf s ASP 98 Cb 0.17 -2.64 1.08 0.00 -0.30 0.00 0.00 42.92 41.24 1snf s ASP 98 CO 0.28 -0.32 1.83 -0.65 -0.17 0.00 0.00 175.17 176.15 1snf h PRO 99 N 3.66 0.00 0.00 4.34 0.11 -1.95 -3.33 132.00 134.83 1snf h PRO 99 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1snf h PRO 99 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1snf h PRO 99 CO 0.66 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.32 1snf n ALA 100 N -1.95 0.75 -2.73 -0.75 0.00 -1.26 -4.84 120.51 109.72 1snf n ALA 100 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.10 1snf n ALA 100 Cb 0.31 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.68 1snf n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1snf s ALA 101 N -0.75 3.51 0.86 0.00 0.00 -1.26 -4.78 121.76 119.34 1snf s ALA 101 Ca 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1snf s ALA 101 Cb 0.00 -2.22 0.11 0.00 0.00 0.00 0.00 23.12 21.01 1snf s ALA 101 CO 0.00 -0.17 1.17 -2.14 0.00 0.00 0.00 175.76 174.62 1snf s PRO 102 N 1.03 1.35 -0.14 0.00 0.02 -1.26 -4.44 135.00 131.55 1snf s PRO 102 Ca 0.06 1.63 -0.00 0.00 0.02 0.00 0.00 61.00 62.71 1snf s PRO 102 Cb -0.14 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.62 1snf s PRO 102 CO 0.04 -2.40 -0.14 0.42 -0.33 0.00 0.00 177.00 174.59 1snf s ILE 103 N -2.44 2.93 -0.17 2.83 1.01 -0.06 -4.97 121.20 120.33 1snf s ILE 103 Ca 0.69 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 1snf s ILE 103 Cb -0.25 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1snf s ILE 103 CO 0.54 0.52 0.10 -0.69 0.00 0.00 0.00 174.94 175.42 1snf s VAL 104 N 0.50 5.17 -0.07 2.92 1.01 -1.26 -1.20 120.40 127.46 1snf s VAL 104 Ca -0.09 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1snf s VAL 104 Cb -0.16 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1snf s VAL 104 CO 0.04 0.49 -0.16 -0.69 0.00 0.00 0.00 175.10 174.78 1snf s VAL 105 N 0.06 1.44 0.12 2.92 1.01 -0.17 -5.02 120.40 120.76 1snf s VAL 105 Ca 0.08 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.46 1snf s VAL 105 Cb -0.12 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1snf s VAL 105 CO -0.00 0.42 -0.02 -1.00 0.00 0.00 0.00 175.10 174.50 1snf s HIS 106 N 0.53 2.89 0.20 5.22 3.76 -1.26 -0.50 115.29 126.13 1snf s HIS 106 Ca -0.15 -0.09 -0.32 0.00 -0.15 0.00 0.00 55.06 54.35 1snf s HIS 106 Cb -0.16 -1.46 -0.15 0.00 1.11 0.00 0.00 32.58 31.92 1snf s HIS 106 CO 0.05 0.48 1.14 -2.13 -0.85 0.00 0.00 174.74 173.44 1snf n ARG 107 N 0.33 1.26 0.00 1.40 0.63 -1.05 -1.04 116.66 118.20 1snf n ARG 107 Ca -0.11 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 1snf n ARG 107 Cb 0.53 -1.93 0.00 0.00 0.45 0.00 0.00 32.46 31.52 1snf n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1snf n GLY 108 N 1.86 2.69 3.76 5.14 0.00 0.82 -4.98 105.19 114.48 1snf n GLY 108 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1snf n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1snf s ASP 109 N -1.64 5.78 -0.35 1.61 1.01 -0.20 -4.67 116.67 118.22 1snf s ASP 109 Ca 0.00 2.53 -0.28 0.00 0.71 0.00 0.00 52.55 55.51 1snf s ASP 109 Cb 0.00 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.33 1snf s ASP 109 CO 0.00 -1.20 1.05 -0.13 0.21 0.00 0.00 175.17 175.10 1snf s ARG 110 N -2.76 3.98 -0.01 8.23 0.52 -1.26 -1.09 118.95 126.56 1snf s ARG 110 Ca 0.67 0.91 0.10 0.00 -0.52 0.00 0.00 55.73 56.88 1snf s ARG 110 Cb -0.34 -3.77 -0.13 0.00 0.52 0.00 0.00 34.95 31.22 1snf s ARG 110 CO 0.41 -0.96 0.34 0.44 0.02 0.00 0.00 175.30 175.55 1snf n ILE 111 N 6.00 0.00 -3.83 1.52 -5.35 -0.03 -4.97 119.36 112.71 1snf n ILE 111 Ca 0.11 -0.25 -0.08 0.00 -0.27 0.00 0.00 62.75 62.26 1snf n ILE 111 Cb 0.48 0.66 0.01 0.00 -1.74 0.00 0.00 39.64 39.05 1snf n ILE 111 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1snf s ALA 112 N -2.30 -1.01 0.08 -1.28 0.00 -1.20 -4.52 121.76 111.54 1snf s ALA 112 Ca 0.00 -0.53 0.08 0.00 0.00 0.00 0.00 51.96 51.52 1snf s ALA 112 Cb 0.07 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 1snf s ALA 112 CO 0.42 -1.01 -0.22 1.14 0.00 0.00 0.00 175.76 176.08 1snf s GLN 113 N -2.91 1.32 -0.17 0.00 -2.07 -0.25 -1.20 119.66 114.38 1snf s GLN 113 Ca 0.14 -1.11 -0.03 0.00 -1.82 0.00 0.00 55.36 52.54 1snf s GLN 113 Cb -0.05 -1.56 -0.02 0.00 -1.09 0.00 0.00 33.01 30.29 1snf s GLN 113 CO 0.09 0.38 -0.06 -1.17 -1.32 0.00 0.00 175.29 173.21 1snf s LEU 114 N -1.63 3.01 0.12 2.60 2.96 0.10 -0.88 118.68 124.95 1snf s LEU 114 Ca 0.08 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 53.81 1snf s LEU 114 Cb -0.10 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1snf s LEU 114 CO 0.03 0.11 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.29 1snf s LEU 115 N 0.71 2.94 -0.09 -0.68 1.02 -0.22 -1.34 118.68 121.02 1snf s LEU 115 Ca -0.03 -0.46 0.03 0.00 0.02 0.00 0.00 54.13 53.69 1snf s LEU 115 Cb -0.15 -1.73 0.01 0.00 0.02 0.00 0.00 46.19 44.34 1snf s LEU 115 CO 0.02 0.17 -0.18 -0.69 0.02 0.00 0.00 176.35 175.69 1snf s VAL 116 N -1.25 1.64 0.12 -1.59 1.01 -1.26 -0.84 120.40 118.23 1snf s VAL 116 Ca 0.21 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1snf s VAL 116 Cb -0.11 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1snf s VAL 116 CO 0.13 0.47 -0.11 -1.10 0.00 0.00 0.00 175.10 174.48 1snf s GLN 117 N 0.55 0.98 0.58 2.72 -0.21 -0.59 -4.98 119.66 118.71 1snf s GLN 117 Ca -0.16 -1.29 -0.20 0.00 0.02 0.00 0.00 55.36 53.73 1snf s GLN 117 Cb -0.17 -0.68 -0.03 0.00 1.00 0.00 0.00 33.01 33.13 1snf s GLN 117 CO 0.06 0.11 1.30 1.03 -2.12 0.00 0.00 175.29 175.66 1snf s ARG 118 N -3.12 2.94 0.06 2.91 0.52 -1.26 -1.23 118.95 119.77 1snf s ARG 118 Ca 0.11 2.08 0.06 0.00 -0.52 0.00 0.00 55.73 57.46 1snf s ARG 118 Cb -0.01 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 1snf s ARG 118 CO 0.01 -1.30 -0.18 0.54 0.02 0.00 0.00 175.30 174.39 1snf s VAL 119 N -1.40 1.44 -0.41 3.52 0.11 -0.58 -4.77 120.40 118.30 1snf s VAL 119 Ca 0.76 -1.20 -0.20 0.00 -2.93 0.00 0.00 61.98 58.40 1snf s VAL 119 Cb -0.37 -1.28 0.02 0.00 -1.53 0.00 0.00 36.38 33.21 1snf s VAL 119 CO 0.42 0.05 0.63 -1.61 -3.33 0.00 0.00 175.10 171.26 1snf s GLU 120 N -1.35 3.40 -1.37 1.54 0.41 -1.26 -4.71 118.70 115.35 1snf s GLU 120 Ca 0.04 -0.26 -0.12 0.00 -0.41 0.00 0.00 54.97 54.23 1snf s GLU 120 Cb -0.09 -3.91 0.10 0.00 -1.78 0.00 0.00 34.13 28.46 1snf s GLU 120 CO 0.02 -0.92 2.06 1.28 -0.49 0.00 0.00 175.26 177.21 1snf n LEU 121 N 6.17 6.76 -4.75 1.80 4.77 -1.26 -4.95 117.00 125.54 1snf n LEU 121 Ca -0.02 -4.38 -0.37 0.00 -0.03 0.00 0.00 56.01 51.21 1snf n LEU 121 Cb 0.48 -1.57 0.04 0.00 -2.33 0.00 0.00 43.42 40.03 1snf n LEU 121 CO 0.52 1.24 0.90 0.68 -1.33 0.00 0.00 177.39 179.39 1snf s VAL 122 N 1.84 2.42 -0.41 4.08 -7.23 -1.26 -5.00 120.40 114.84 1snf s VAL 122 Ca 0.43 0.28 -0.14 0.00 -1.81 0.00 0.00 61.98 60.74 1snf s VAL 122 Cb 0.12 -3.13 0.02 0.00 0.56 0.00 0.00 36.38 33.95 1snf s VAL 122 CO -0.04 -0.03 0.29 -1.61 -0.31 0.00 0.00 175.10 173.39 1snf s GLU 123 N -3.11 2.95 0.31 4.82 0.41 -1.26 -5.06 118.70 117.76 1snf s GLU 123 Ca 0.74 -1.03 -0.29 0.00 -0.41 0.00 0.00 54.97 53.98 1snf s GLU 123 Cb -0.35 -3.95 -0.10 0.00 -1.78 0.00 0.00 34.13 27.96 1snf s GLU 123 CO 0.39 -0.74 1.35 -0.51 -0.49 0.00 0.00 175.26 175.26 1snf s LEU 124 N 1.66 4.41 -0.11 1.80 1.02 -1.26 -5.01 118.68 121.19 1snf s LEU 124 Ca 0.05 2.70 -0.01 0.00 0.02 0.00 0.00 54.13 56.88 1snf s LEU 124 Cb -0.19 -3.64 0.03 0.00 0.02 0.00 0.00 46.19 42.41 1snf s LEU 124 CO 0.10 -0.60 -0.05 -0.69 0.02 0.00 0.00 176.35 175.13 1snf s VAL 125 N -0.81 0.84 0.16 -1.59 1.01 -1.26 -5.12 120.40 113.63 1snf s VAL 125 Ca 0.52 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 1snf s VAL 125 Cb -0.41 -0.94 -0.07 0.00 0.00 0.00 0.00 36.38 34.96 1snf s VAL 125 CO 0.51 0.27 1.05 -0.70 0.00 0.00 0.00 175.10 176.22 1snf s GLU 126 N 1.78 4.64 0.28 2.72 2.12 -1.26 -5.03 118.70 123.95 1snf s GLU 126 Ca 0.04 1.62 0.05 0.00 0.36 0.00 0.00 54.97 57.04 1snf s GLU 126 Cb -0.13 -3.31 -0.06 0.00 0.26 0.00 0.00 34.13 30.89 1snf s GLU 126 CO -0.07 0.15 -0.02 0.14 -0.54 0.00 0.00 175.26 174.91 1snf s VAL 127 N -0.21 1.40 0.01 3.70 -7.23 -1.26 -5.10 120.40 111.72 1snf s VAL 127 Ca 0.48 -2.07 -0.24 0.00 -1.81 0.00 0.00 61.98 58.34 1snf s VAL 127 Cb -0.27 -2.50 -0.18 0.00 0.56 0.00 0.00 36.38 33.99 1snf s VAL 127 CO 0.33 -0.24 1.39 0.77 -0.31 0.00 0.00 175.10 177.04 1snf h SER 128 N 2.29 0.07 -5.14 4.85 4.64 -2.10 -3.48 113.55 114.67 1snf h SER 128 Ca -0.40 -0.37 0.12 0.00 -0.47 0.00 0.00 61.79 60.67 1snf h SER 128 Cb 1.23 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 63.23 1snf h SER 128 CO 0.67 0.42 0.36 -0.94 -0.87 0.00 0.00 176.83 176.48 1snf s SER 129 N -5.64 -0.24 0.00 4.97 1.04 -1.26 -5.35 113.70 107.21 1snf s SER 129 Ca -0.15 -0.46 0.03 0.00 0.48 0.00 0.00 55.95 55.85 1snf s SER 129 Cb 0.03 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.77 1snf s SER 129 CO 0.68 -1.09 0.59 0.49 0.98 0.00 0.00 173.24 174.90