#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i93 h SER -8 N 0.00 0.17 0.32 4.04 4.64 -2.10 -2.89 113.55 117.73 3i93 h SER -8 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3i93 h SER -8 Cb 0.00 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3i93 h SER -8 CO 0.00 -0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 3i93 n GLY -7 N -1.35 -0.85 3.68 -0.77 0.00 -1.26 -4.59 105.19 100.05 3i93 n GLY -7 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3i93 n GLY -7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i93 s LEU -6 N -3.28 4.20 -0.39 0.99 2.96 -1.09 -5.01 118.68 117.06 3i93 s LEU -6 Ca 0.04 1.06 -0.29 0.00 -0.22 0.00 0.00 54.13 54.72 3i93 s LEU -6 Cb 0.06 -3.09 0.01 0.00 0.50 0.00 0.00 46.19 43.67 3i93 s LEU -6 CO 0.18 -0.30 1.31 -0.69 -1.32 0.00 0.00 176.35 175.54 3i93 s VAL -5 N 1.78 4.06 0.73 1.68 1.01 -1.26 -5.00 120.40 123.40 3i93 s VAL -5 Ca 0.35 1.13 -0.16 0.00 0.00 0.00 0.00 61.98 63.31 3i93 s VAL -5 Cb -0.17 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 31.97 3i93 s VAL -5 CO 0.13 -0.71 1.13 -2.65 0.00 0.00 0.00 175.10 173.01 3i93 n PRO -4 N 7.74 0.56 -0.10 2.72 -0.02 -1.26 -5.24 135.00 139.39 3i93 n PRO -4 Ca 0.15 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3i93 n PRO -4 Cb 0.48 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3i93 n PRO -4 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3i93 n ARG -3 N -2.35 0.00 -2.22 -0.52 0.00 -1.26 -5.28 116.66 105.02 3i93 n ARG -3 Ca 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.96 3i93 n ARG -3 Cb 0.49 -0.60 -0.02 0.00 -0.00 0.00 0.00 32.46 32.33 3i93 n ARG -3 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3i93 n SER 2 N 1.69 -3.53 -4.52 2.89 3.41 -1.26 -5.36 113.62 106.94 3i93 n SER 2 Ca 0.00 1.20 -0.52 0.00 -0.26 0.00 0.00 58.87 59.29 3i93 n SER 2 Cb 0.00 -4.29 -0.05 0.00 -0.26 0.00 0.00 64.21 59.61 3i93 n SER 2 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3i93 n THR 3 N 1.36 0.80 -3.98 6.66 -1.04 -1.26 -5.19 114.28 111.63 3i93 n THR 3 Ca -0.20 -0.20 -0.30 0.00 -2.04 0.00 0.00 64.05 61.31 3i93 n THR 3 Cb 0.31 -0.43 -0.05 0.00 -1.82 0.00 0.00 70.33 68.35 3i93 n THR 3 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3i93 s THR 4 N -0.26 5.01 -0.19 12.58 -4.23 -1.26 -5.10 115.64 122.19 3i93 s THR 4 Ca 0.77 -0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 60.67 3i93 s THR 4 Cb -1.00 -3.46 0.05 0.00 1.34 0.00 0.00 72.50 69.44 3i93 s THR 4 CO 0.54 0.09 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.47 3i93 s LEU 5 N -2.59 1.72 0.23 4.79 2.96 -1.26 -4.83 118.68 119.70 3i93 s LEU 5 Ca 0.33 -0.85 -0.30 0.00 -0.22 0.00 0.00 54.13 53.09 3i93 s LEU 5 Cb -0.12 -0.87 -0.09 0.00 0.50 0.00 0.00 46.19 45.61 3i93 s LEU 5 CO 0.26 -0.24 1.27 0.00 -1.32 0.00 0.00 176.35 176.32 3i93 s ALA 6 N 1.65 3.50 0.00 5.97 0.00 -1.26 -4.93 121.76 126.68 3i93 s ALA 6 Ca -0.02 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.04 3i93 s ALA 6 Cb -0.17 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 3i93 s ALA 6 CO -0.07 -0.49 -0.03 -1.50 0.00 0.00 0.00 175.76 173.67 3i93 s ILE 7 N -0.23 0.20 -0.14 0.00 2.07 -1.26 -1.82 121.20 120.02 3i93 s ILE 7 Ca 0.54 -0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 3i93 s ILE 7 Cb -0.36 -0.20 -0.00 0.00 0.13 0.00 0.00 42.46 42.02 3i93 s ILE 7 CO 0.41 -0.04 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.55 3i93 s VAL 8 N -0.29 2.71 -0.78 4.00 1.01 -0.05 -4.99 120.40 122.00 3i93 s VAL 8 Ca -0.02 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.98 3i93 s VAL 8 Cb -0.02 -2.13 0.08 0.00 0.00 0.00 0.00 36.38 34.31 3i93 s VAL 8 CO -0.00 0.52 1.08 -0.13 0.00 0.00 0.00 175.10 176.57 3i93 s ARG 9 N 0.66 3.30 0.47 2.72 0.52 -1.26 -1.22 118.95 124.13 3i93 s ARG 9 Ca -0.08 -1.08 0.14 0.00 -0.52 0.00 0.00 55.73 54.19 3i93 s ARG 9 Cb -0.16 -4.53 1.07 0.00 0.52 0.00 0.00 34.95 31.86 3i93 s ARG 9 CO 0.02 -1.87 2.04 -0.07 0.02 0.00 0.00 175.30 175.45 3i93 h LEU 10 N 11.35 0.03 -7.73 2.53 3.38 -0.85 -3.32 115.31 120.70 3i93 h LEU 10 Ca -0.11 -0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.16 3i93 h LEU 10 Cb 1.05 -0.01 -0.35 0.00 0.09 0.00 0.00 40.66 41.44 3i93 h LEU 10 CO 1.19 0.14 -0.51 -0.62 0.09 0.00 0.00 178.44 178.73 3i93 s ASP 11 N -7.01 5.18 0.00 -0.43 -1.08 -0.55 -4.97 116.67 107.81 3i93 s ASP 11 Ca -0.05 -2.31 0.22 0.00 -0.52 0.00 0.00 52.55 49.89 3i93 s ASP 11 Cb 0.16 -1.82 1.03 0.00 -1.46 0.00 0.00 42.92 40.84 3i93 s ASP 11 CO 0.69 -0.47 1.69 -2.65 0.52 0.00 0.00 175.17 174.95 3i93 n PRO 12 N 4.20 0.20 0.00 4.34 -0.02 -1.25 -2.45 135.00 140.02 3i93 n PRO 12 Ca 0.01 0.10 0.13 0.00 -2.02 0.00 0.00 63.50 61.72 3i93 n PRO 12 Cb 0.40 -1.50 0.62 0.00 -0.02 0.00 0.00 33.50 33.00 3i93 n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i93 n GLY 13 N 0.60 -1.36 3.89 -1.23 0.00 -1.26 -4.81 105.19 101.03 3i93 n GLY 13 Ca 0.09 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3i93 n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i93 s LEU 14 N -2.87 4.35 0.77 0.99 1.43 -1.03 -5.07 118.68 117.25 3i93 s LEU 14 Ca 0.17 0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 53.50 3i93 s LEU 14 Cb 0.18 -2.48 0.06 0.00 0.03 0.00 0.00 46.19 43.99 3i93 s LEU 14 CO 0.47 0.30 1.19 -2.84 0.23 0.00 0.00 176.35 175.70 3i93 s PRO 15 N -1.72 1.91 0.42 1.29 0.02 -1.26 -4.95 135.00 130.71 3i93 s PRO 15 Ca 0.24 1.68 -0.26 0.00 0.02 0.00 0.00 61.00 62.68 3i93 s PRO 15 Cb -0.12 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 3i93 s PRO 15 CO 0.15 -1.99 1.37 -0.51 -0.33 0.00 0.00 177.00 175.69 3i93 s LEU 16 N -5.51 4.18 0.16 -5.54 1.43 -1.26 -4.91 118.68 107.23 3i93 s LEU 16 Ca 0.72 2.80 -0.33 0.00 -1.03 0.00 0.00 54.13 56.29 3i93 s LEU 16 Cb -0.27 -3.90 -0.16 0.00 0.03 0.00 0.00 46.19 41.89 3i93 s LEU 16 CO 0.49 -1.00 1.20 -2.65 0.23 0.00 0.00 176.35 174.62 3i93 n PRO 17 N 0.01 1.18 -4.11 1.29 -0.02 -1.26 -4.98 135.00 127.11 3i93 n PRO 17 Ca 0.04 0.42 -0.13 0.00 -2.02 0.00 0.00 63.50 61.81 3i93 n PRO 17 Cb 0.42 -1.95 -0.11 0.00 -0.02 0.00 0.00 33.50 31.85 3i93 n PRO 17 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3i93 s SER 18 N 0.09 1.06 -0.17 2.55 1.04 -1.24 -4.80 113.70 112.23 3i93 s SER 18 Ca 0.75 -0.68 -0.20 0.00 0.48 0.00 0.00 55.95 56.30 3i93 s SER 18 Cb -0.87 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 3i93 s SER 18 CO 0.51 -0.25 0.59 0.00 0.98 0.00 0.00 173.24 175.07 3i93 s ARG 19 N -2.18 4.26 0.32 4.02 1.70 -1.26 -1.45 118.95 124.36 3i93 s ARG 19 Ca -0.03 0.58 0.07 0.00 -0.47 0.00 0.00 55.73 55.88 3i93 s ARG 19 Cb -0.06 -3.53 0.78 0.00 -0.57 0.00 0.00 34.95 31.56 3i93 s ARG 19 CO -0.01 -0.11 1.80 0.00 -1.08 0.00 0.00 175.30 175.90 3i93 h ALA 20 N 7.25 1.75 -2.39 7.88 0.00 -1.95 -3.43 119.26 128.37 3i93 h ALA 20 Ca -0.35 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 3i93 h ALA 20 Cb 1.16 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 3i93 h ALA 20 CO 0.76 -0.09 -0.58 -1.01 0.00 0.00 0.00 179.25 178.33 3i93 s HIS 21 N -5.79 0.56 0.01 0.00 3.76 -1.26 -5.09 115.29 107.49 3i93 s HIS 21 Ca -0.11 -1.02 -0.37 0.00 -0.15 0.00 0.00 55.06 53.41 3i93 s HIS 21 Cb 0.24 -0.33 -0.17 0.00 1.11 0.00 0.00 32.58 33.43 3i93 s HIS 21 CO 0.80 -0.49 1.41 -0.40 -0.85 0.00 0.00 174.74 175.22 3i93 n ASP 22 N -0.02 1.75 0.00 1.40 5.75 -1.26 -1.64 116.55 122.54 3i93 n ASP 22 Ca -0.11 1.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.79 3i93 n ASP 22 Cb 0.62 -1.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.54 3i93 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i93 n GLY 23 N 2.83 1.85 3.70 6.12 0.00 -1.26 -5.01 105.19 113.42 3i93 n GLY 23 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3i93 n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i93 n ASP 24 N 0.00 2.84 0.13 1.61 9.92 -0.65 -4.88 116.55 125.52 3i93 n ASP 24 Ca 0.00 1.19 -0.01 0.00 -0.53 0.00 0.00 54.79 55.44 3i93 n ASP 24 Cb 0.00 -1.48 0.23 0.00 -0.64 0.00 0.00 41.12 39.23 3i93 n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i93 h ALA 25 N 2.99 1.11 -2.38 2.24 0.00 -1.95 -3.46 119.26 117.81 3i93 h ALA 25 Ca -0.46 -0.45 -0.56 0.00 0.00 0.00 0.00 54.91 53.44 3i93 h ALA 25 Cb 1.28 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 3i93 h ALA 25 CO 0.66 0.63 -0.76 0.20 0.00 0.00 0.00 179.25 179.97 3i93 s GLY 26 N -4.33 1.69 -0.05 0.00 0.00 -1.26 -4.54 107.32 98.82 3i93 s GLY 26 Ca -0.03 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 42.93 3i93 s GLY 26 CO 0.76 -1.83 -0.00 -1.34 0.00 0.00 0.00 173.10 170.68 3i93 s VAL 27 N -2.51 4.21 0.08 1.40 -7.23 -0.02 -4.25 120.40 112.08 3i93 s VAL 27 Ca 0.25 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.73 3i93 s VAL 27 Cb -0.04 -2.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 3i93 s VAL 27 CO 0.11 0.52 0.99 -1.81 -0.31 0.00 0.00 175.10 174.60 3i93 s ASP 28 N -1.12 7.43 0.08 4.85 1.01 -0.53 0.91 116.67 129.30 3i93 s ASP 28 Ca 0.15 1.79 -0.10 0.00 0.71 0.00 0.00 52.55 55.10 3i93 s ASP 28 Cb -0.11 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.18 3i93 s ASP 28 CO 0.05 -0.15 0.40 -0.76 0.21 0.00 0.00 175.17 174.92 3i93 s LEU 29 N 0.30 4.35 0.10 1.23 1.43 0.24 -3.67 118.68 122.66 3i93 s LEU 29 Ca 0.49 0.79 0.03 0.00 -1.03 0.00 0.00 54.13 54.41 3i93 s LEU 29 Cb -0.23 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 3i93 s LEU 29 CO 0.30 0.18 0.12 -0.31 0.23 0.00 0.00 176.35 176.87 3i93 s TYR 30 N -1.39 3.25 0.06 0.29 2.02 -1.26 -1.20 117.35 119.12 3i93 s TYR 30 Ca 0.33 0.09 -0.30 0.00 -0.37 0.00 0.00 57.07 56.82 3i93 s TYR 30 Cb -0.14 -1.63 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 3i93 s TYR 30 CO 0.18 0.53 1.01 0.45 -1.57 0.00 0.00 175.55 176.15 3i93 s SER 31 N -2.59 7.37 0.05 2.29 0.15 0.00 -4.07 113.70 116.90 3i93 s SER 31 Ca 0.31 1.79 0.28 0.00 0.70 0.00 0.00 55.95 59.03 3i93 s SER 31 Cb -0.12 -2.58 1.05 0.00 -1.71 0.00 0.00 66.02 62.66 3i93 s SER 31 CO 0.24 -0.21 1.83 0.00 1.20 0.00 0.00 173.24 176.29 3i93 n ALA 32 N 3.36 2.45 -2.24 5.45 0.00 0.33 -0.82 120.51 129.04 3i93 n ALA 32 Ca 0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 3i93 n ALA 32 Cb 0.49 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 3i93 n ALA 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3i93 s GLU 33 N -3.03 0.88 -0.06 0.00 -1.05 -1.26 -4.75 118.70 109.42 3i93 s GLU 33 Ca 0.13 -1.33 -0.25 0.00 -0.15 0.00 0.00 54.97 53.37 3i93 s GLU 33 Cb 0.17 -0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 33.49 3i93 s GLU 33 CO 0.57 0.02 0.76 -0.51 0.95 0.00 0.00 175.26 177.04 3i93 s ASP 34 N -2.96 7.05 -0.12 0.83 1.01 -1.26 -2.41 116.67 118.81 3i93 s ASP 34 Ca 0.12 1.27 -0.11 0.00 0.71 0.00 0.00 52.55 54.53 3i93 s ASP 34 Cb 0.03 -2.44 0.03 0.00 1.01 0.00 0.00 42.92 41.55 3i93 s ASP 34 CO -0.03 -0.16 0.31 0.54 0.21 0.00 0.00 175.17 176.04 3i93 s VAL 35 N 0.95 0.00 -0.15 -1.27 0.11 0.19 -4.95 120.40 115.29 3i93 s VAL 35 Ca 0.40 -0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.44 3i93 s VAL 35 Cb -0.18 -0.44 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 3i93 s VAL 35 CO 0.19 -0.00 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.15 3i93 s GLU 36 N 0.15 3.40 -0.31 1.54 2.12 -1.26 0.05 118.70 124.39 3i93 s GLU 36 Ca -0.00 -0.67 -0.03 0.00 0.36 0.00 0.00 54.97 54.63 3i93 s GLU 36 Cb -0.02 -2.71 0.04 0.00 0.26 0.00 0.00 34.13 31.70 3i93 s GLU 36 CO 0.00 0.14 0.03 -0.51 -0.54 0.00 0.00 175.26 174.39 3i93 s LEU 37 N 0.55 4.00 0.75 2.70 1.43 0.70 -4.97 118.68 123.84 3i93 s LEU 37 Ca -0.07 -1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 51.71 3i93 s LEU 37 Cb -0.15 -1.77 0.05 0.00 0.03 0.00 0.00 46.19 44.35 3i93 s LEU 37 CO 0.03 -0.27 1.11 0.00 0.23 0.00 0.00 176.35 177.45 3i93 s ALA 38 N 1.31 2.22 -0.06 4.21 0.00 -1.26 -0.75 121.76 127.43 3i93 s ALA 38 Ca -0.04 0.43 -0.39 0.00 0.00 0.00 0.00 51.96 51.97 3i93 s ALA 38 Cb -0.19 -3.32 -0.17 0.00 0.00 0.00 0.00 23.12 19.43 3i93 s ALA 38 CO 0.00 -1.74 1.43 -2.30 0.00 0.00 0.00 175.76 173.15 3i93 n PRO 39 N -3.21 0.91 -0.44 0.00 -0.02 -1.26 -0.99 135.00 129.98 3i93 n PRO 39 Ca 0.10 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3i93 n PRO 39 Cb 0.52 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3i93 n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i93 n GLY 40 N 2.93 1.77 3.88 -1.23 0.00 0.15 -5.00 105.19 107.69 3i93 n GLY 40 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3i93 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i93 s ARG 41 N -0.12 3.74 0.09 1.61 1.81 -0.16 -4.79 118.95 121.13 3i93 s ARG 41 Ca 0.00 0.52 0.02 0.00 -1.72 0.00 0.00 55.73 54.55 3i93 s ARG 41 Cb 0.00 -2.32 -0.04 0.00 -0.45 0.00 0.00 34.95 32.14 3i93 s ARG 41 CO 0.00 -0.16 -0.07 -0.98 -0.68 0.00 0.00 175.30 173.41 3i93 s ARG 42 N -4.19 0.79 -0.09 3.54 1.70 -1.26 -1.32 118.95 118.12 3i93 s ARG 42 Ca 0.52 -1.24 -0.13 0.00 -0.47 0.00 0.00 55.73 54.41 3i93 s ARG 42 Cb -0.10 -0.23 0.03 0.00 -0.57 0.00 0.00 34.95 34.07 3i93 s ARG 42 CO 0.36 -0.00 0.34 0.00 -1.08 0.00 0.00 175.30 174.92 3i93 s ALA 43 N -3.23 -0.85 -0.53 7.88 0.00 0.06 -4.99 121.76 120.09 3i93 s ALA 43 Ca 0.08 0.76 -0.20 0.00 0.00 0.00 0.00 51.96 52.60 3i93 s ALA 43 Cb 0.03 -0.34 0.06 0.00 0.00 0.00 0.00 23.12 22.87 3i93 s ALA 43 CO -0.04 -0.20 0.69 -1.17 0.00 0.00 0.00 175.76 175.04 3i93 s LEU 44 N -0.37 4.88 -0.20 0.00 2.96 -1.26 -0.85 118.68 123.84 3i93 s LEU 44 Ca -0.05 -0.91 -0.09 0.00 -0.22 0.00 0.00 54.13 52.86 3i93 s LEU 44 Cb -0.03 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.13 3i93 s LEU 44 CO 0.02 -0.99 0.11 -0.69 -1.32 0.00 0.00 176.35 173.48 3i93 s VAL 45 N 2.87 5.18 0.18 1.68 1.01 0.13 -4.82 120.40 126.62 3i93 s VAL 45 Ca 0.17 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 3i93 s VAL 45 Cb -0.19 -3.36 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 3i93 s VAL 45 CO 0.12 0.44 1.17 -0.13 0.00 0.00 0.00 175.10 176.71 3i93 s ARG 46 N 0.40 4.51 0.01 2.72 0.52 -1.26 0.01 118.95 125.86 3i93 s ARG 46 Ca 0.06 1.84 0.22 0.00 -0.52 0.00 0.00 55.73 57.33 3i93 s ARG 46 Cb -0.12 -3.25 -0.12 0.00 0.52 0.00 0.00 34.95 31.99 3i93 s ARG 46 CO -0.01 -0.05 0.91 0.25 0.02 0.00 0.00 175.30 176.42 3i93 n THR 47 N 2.50 0.03 -1.02 0.02 -2.24 -0.98 -0.52 114.28 112.07 3i93 n THR 47 Ca 0.04 -0.13 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 3i93 n THR 47 Cb 0.45 0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 69.29 3i93 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i93 n GLY 48 N 1.44 0.42 3.23 3.38 0.00 -1.26 -4.45 105.19 107.94 3i93 n GLY 48 Ca 0.03 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 3i93 n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i93 s VAL 49 N -1.79 1.34 0.03 1.61 -7.23 -1.26 -0.10 120.40 113.00 3i93 s VAL 49 Ca 0.00 -1.57 0.07 0.00 -1.81 0.00 0.00 61.98 58.67 3i93 s VAL 49 Cb 0.00 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.52 3i93 s VAL 49 CO 0.00 -0.30 -0.19 0.00 -0.31 0.00 0.00 175.10 174.30 3i93 s ALA 50 N -1.72 1.64 0.22 1.32 0.00 -0.36 -0.75 121.76 122.11 3i93 s ALA 50 Ca 0.05 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.08 3i93 s ALA 50 Cb -0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 3i93 s ALA 50 CO 0.03 0.37 -0.04 0.14 0.00 0.00 0.00 175.76 176.25 3i93 s VAL 51 N -0.75 1.24 -0.64 0.00 -7.23 -1.26 -0.87 120.40 110.88 3i93 s VAL 51 Ca 0.07 -2.07 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 3i93 s VAL 51 Cb -0.08 -2.25 0.16 0.00 0.56 0.00 0.00 36.38 34.76 3i93 s VAL 51 CO 0.01 -0.42 0.42 0.00 -0.31 0.00 0.00 175.10 174.80 3i93 s ALA 52 N -3.29 3.63 0.20 1.32 0.00 -0.75 -4.48 121.76 118.38 3i93 s ALA 52 Ca 0.26 -3.56 -0.32 0.00 0.00 0.00 0.00 51.96 48.33 3i93 s ALA 52 Cb 0.04 -2.26 -0.12 0.00 0.00 0.00 0.00 23.12 20.78 3i93 s ALA 52 CO 0.08 -2.07 1.71 0.28 0.00 0.00 0.00 175.76 175.75 3i93 n VAL 53 N 2.59 0.01 -1.97 0.00 0.31 -1.26 -4.36 118.33 113.65 3i93 n VAL 53 Ca 0.13 -0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.09 3i93 n VAL 53 Cb 0.34 -1.92 0.03 0.00 -0.91 0.00 0.00 33.84 31.38 3i93 n VAL 53 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3i93 s PRO 54 N 1.19 3.15 0.28 5.55 0.02 -1.26 -4.39 135.00 139.54 3i93 s PRO 54 Ca 0.76 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 63.44 3i93 s PRO 54 Cb -0.53 -2.12 -0.13 0.00 0.02 0.00 0.00 34.50 31.74 3i93 s PRO 54 CO 0.33 -1.10 1.43 0.34 -0.33 0.00 0.00 177.00 177.67 3i93 n PHE 55 N -1.22 2.39 -0.13 6.54 7.35 -1.26 -0.68 117.46 130.46 3i93 n PHE 55 Ca 0.12 0.42 0.00 0.00 -0.76 0.00 0.00 57.45 57.22 3i93 n PHE 55 Cb 0.48 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.82 3i93 n PHE 55 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3i93 n GLY 56 N 1.77 0.90 3.62 7.13 0.00 -1.26 -5.04 105.19 112.30 3i93 n GLY 56 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3i93 n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i93 s MET 57 N -0.66 1.96 -0.02 1.61 -1.94 0.14 -0.78 119.30 119.62 3i93 s MET 57 Ca 0.00 -2.16 -0.05 0.00 -1.71 0.00 0.00 55.69 51.77 3i93 s MET 57 Cb 0.00 -1.39 0.00 0.00 2.01 0.00 0.00 34.83 35.46 3i93 s MET 57 CO 0.00 -0.19 0.11 0.54 -0.01 0.00 0.00 175.02 175.47 3i93 s VAL 58 N -2.90 0.05 -0.06 -6.03 0.11 0.13 -4.19 120.40 107.51 3i93 s VAL 58 Ca 0.27 -0.40 -0.12 0.00 -2.93 0.00 0.00 61.98 58.80 3i93 s VAL 58 Cb 0.07 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.58 3i93 s VAL 58 CO 0.13 -0.22 0.31 -0.83 -3.33 0.00 0.00 175.10 171.17 3i93 s GLY 59 N -0.71 2.35 -0.09 6.54 0.00 -0.31 -1.26 107.32 113.85 3i93 s GLY 59 Ca -0.08 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.27 3i93 s GLY 59 CO 0.01 0.03 -0.09 1.08 0.00 0.00 0.00 173.10 174.13 3i93 s LEU 60 N -0.85 1.37 -0.31 0.66 1.43 0.34 0.39 118.68 121.73 3i93 s LEU 60 Ca 0.20 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 3i93 s LEU 60 Cb -0.15 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 3i93 s LEU 60 CO 0.09 -0.05 0.30 -0.69 0.23 0.00 0.00 176.35 176.23 3i93 s VAL 61 N 1.23 5.22 0.09 -1.59 1.01 0.73 -0.71 120.40 126.38 3i93 s VAL 61 Ca -0.04 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.20 3i93 s VAL 61 Cb -0.14 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3i93 s VAL 61 CO -0.03 0.08 -0.12 -1.00 0.00 0.00 0.00 175.10 174.03 3i93 s HIS 62 N 1.93 2.70 0.56 5.22 3.76 0.52 -0.64 115.29 129.33 3i93 s HIS 62 Ca 0.11 -0.18 -0.19 0.00 -0.15 0.00 0.00 55.06 54.65 3i93 s HIS 62 Cb -0.16 -1.43 -0.05 0.00 1.11 0.00 0.00 32.58 32.04 3i93 s HIS 62 CO 0.11 0.40 1.13 -2.14 -0.85 0.00 0.00 174.74 173.38 3i93 s PRO 63 N -2.07 3.30 0.21 8.40 0.02 -1.26 -0.52 135.00 143.07 3i93 s PRO 63 Ca 0.20 1.58 -0.28 0.00 0.02 0.00 0.00 61.00 62.52 3i93 s PRO 63 Cb -0.11 -2.00 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 3i93 s PRO 63 CO 0.12 -0.89 0.88 1.03 -0.33 0.00 0.00 177.00 177.81 3i93 s ARG 64 N -3.38 4.75 0.17 5.54 0.52 -1.26 -4.72 118.95 120.57 3i93 s ARG 64 Ca 0.72 1.36 -0.03 0.00 -0.52 0.00 0.00 55.73 57.26 3i93 s ARG 64 Cb -0.23 -3.27 0.06 0.00 0.52 0.00 0.00 34.95 32.02 3i93 s ARG 64 CO 0.29 0.54 1.45 0.66 0.02 0.00 0.00 175.30 178.25 3i93 h SER 65 N 4.23 0.60 0.03 0.23 4.64 -1.96 -2.74 113.55 118.58 3i93 h SER 65 Ca -0.46 -0.36 -0.00 0.00 -0.47 0.00 0.00 61.79 60.50 3i93 h SER 65 Cb 1.20 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3i93 h SER 65 CO 0.67 1.09 -0.02 1.23 -0.87 0.00 0.00 176.83 178.94 3i93 h GLY 66 N 1.10 -0.05 1.70 -0.77 0.00 -1.99 -1.59 103.07 101.47 3i93 h GLY 66 Ca -0.02 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3i93 h GLY 66 CO 0.12 -0.02 -0.24 1.41 0.00 0.00 0.00 176.54 177.82 3i93 h LEU 67 N -0.05 0.35 0.00 3.11 3.38 -1.91 0.18 115.31 120.38 3i93 h LEU 67 Ca -0.00 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3i93 h LEU 67 Cb 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3i93 h LEU 67 CO 0.01 0.60 -0.04 0.00 0.09 0.00 0.00 178.44 179.10 3i93 h ALA 68 N 1.43 -0.04 0.07 1.53 0.00 -1.17 -1.23 119.26 119.85 3i93 h ALA 68 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i93 h ALA 68 Cb 0.60 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i93 h ALA 68 CO 0.04 -0.54 -0.03 1.15 0.00 0.00 0.00 179.25 179.87 3i93 h THR 69 N -0.07 1.23 -0.43 0.00 2.02 -0.98 -1.40 112.91 113.27 3i93 h THR 69 Ca 0.02 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 3i93 h THR 69 Cb 0.09 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 3i93 h THR 69 CO -0.04 0.32 0.18 0.03 0.37 0.00 0.00 175.52 176.38 3i93 h ARG 70 N -0.74 0.64 0.00 6.66 -0.00 -0.69 -3.37 114.38 116.89 3i93 h ARG 70 Ca -0.01 -0.11 0.00 0.00 -0.50 0.00 0.00 59.98 59.36 3i93 h ARG 70 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.46 3i93 h ARG 70 CO 0.02 0.58 0.00 1.33 0.00 0.00 0.00 179.97 181.89 3i93 n VAL 71 N -4.63 0.00 -0.91 2.04 0.24 -0.52 -5.01 118.33 109.54 3i93 n VAL 71 Ca 0.01 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3i93 n VAL 71 Cb 0.14 1.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 3i93 n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i93 n GLY 72 N 0.04 0.44 3.68 7.63 0.00 -0.53 -4.34 105.19 112.11 3i93 n GLY 72 Ca 0.00 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 3i93 n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i93 s LEU 73 N 0.00 4.28 0.00 0.99 2.96 -1.05 -0.54 118.68 125.32 3i93 s LEU 73 Ca 0.00 1.95 0.01 0.00 -0.22 0.00 0.00 54.13 55.87 3i93 s LEU 73 Cb 0.00 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 3i93 s LEU 73 CO 0.00 -0.68 0.05 -0.24 -1.32 0.00 0.00 176.35 174.16 3i93 n SER 74 N 5.56 0.64 -3.92 3.68 2.88 -0.10 -3.63 113.62 118.73 3i93 n SER 74 Ca 0.13 -1.58 -0.26 0.00 -1.33 0.00 0.00 58.87 55.82 3i93 n SER 74 Cb 0.45 0.33 -0.17 0.00 -0.75 0.00 0.00 64.21 64.07 3i93 n SER 74 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3i93 s ILE 75 N -2.08 0.98 0.20 2.46 1.01 -1.26 -1.18 121.20 121.34 3i93 s ILE 75 Ca 0.07 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 3i93 s ILE 75 Cb 0.00 -0.99 0.13 0.00 0.01 0.00 0.00 42.46 41.62 3i93 s ILE 75 CO 0.05 0.35 1.85 0.58 0.00 0.00 0.00 174.94 177.78 3i93 h VAL 76 N 6.15 1.12 -0.92 2.92 2.07 -1.09 -2.34 116.25 124.15 3i93 h VAL 76 Ca -0.30 -0.30 -0.42 0.00 0.82 0.00 0.00 66.70 66.50 3i93 h VAL 76 Cb 1.14 0.17 -0.25 0.00 -1.52 0.00 0.00 31.29 30.83 3i93 h VAL 76 CO 0.41 0.16 0.54 -0.46 0.02 0.00 0.00 177.57 178.24 3i93 n ASN 77 N -4.65 4.10 -4.74 0.57 6.94 -1.26 -5.00 115.26 111.21 3i93 n ASN 77 Ca 0.07 -3.47 -0.41 0.00 -0.02 0.00 0.00 54.58 50.74 3i93 n ASN 77 Cb 0.06 -0.81 -0.03 0.00 -2.36 0.00 0.00 39.78 36.64 3i93 n ASN 77 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3i93 s SER 78 N -1.19 6.96 0.09 0.53 0.15 -0.88 -2.69 113.70 116.67 3i93 s SER 78 Ca 0.56 2.39 -0.28 0.00 0.70 0.00 0.00 55.95 59.32 3i93 s SER 78 Cb 0.46 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 62.10 3i93 s SER 78 CO 0.12 -0.45 0.88 -2.16 1.20 0.00 0.00 173.24 172.82 3i93 s PRO 79 N -0.51 4.62 0.25 5.44 0.04 -1.26 -5.08 135.00 138.51 3i93 s PRO 79 Ca 0.53 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 3i93 s PRO 79 Cb -0.36 -3.36 -0.10 0.00 0.04 0.00 0.00 34.50 30.72 3i93 s PRO 79 CO 0.40 0.27 1.34 0.20 0.04 0.00 0.00 177.00 179.24 3i93 s GLY 80 N -0.11 2.60 -0.31 0.56 0.00 0.18 -4.77 107.32 105.47 3i93 s GLY 80 Ca 0.43 1.21 -0.07 0.00 0.00 0.00 0.00 44.72 46.28 3i93 s GLY 80 CO 0.27 2.06 0.10 -1.59 0.00 0.00 0.00 173.10 173.94 3i93 s THR 81 N -0.33 3.99 -0.36 0.90 2.01 -1.26 -0.20 115.64 120.40 3i93 s THR 81 Ca 0.55 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 3i93 s THR 81 Cb -0.39 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.01 3i93 s THR 81 CO 0.44 -0.01 0.21 -0.63 -0.69 0.00 0.00 174.62 173.94 3i93 s ILE 82 N 1.48 4.81 0.49 1.82 1.01 0.16 -4.98 121.20 126.00 3i93 s ILE 82 Ca 0.02 -0.59 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 3i93 s ILE 82 Cb -0.18 -3.58 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 3i93 s ILE 82 CO 0.03 -0.12 1.03 -1.81 0.00 0.00 0.00 174.94 174.07 3i93 s ASP 83 N 1.62 6.37 0.39 3.58 1.01 -1.26 -1.16 116.67 127.22 3i93 s ASP 83 Ca 0.04 1.87 0.17 0.00 0.71 0.00 0.00 52.55 55.35 3i93 s ASP 83 Cb -0.18 -2.55 1.08 0.00 1.01 0.00 0.00 42.92 42.28 3i93 s ASP 83 CO 0.08 -0.76 1.77 0.00 0.21 0.00 0.00 175.17 176.46 3i93 h ALA 84 N 1.46 2.19 -0.00 5.23 0.00 -1.77 -0.73 119.26 125.63 3i93 h ALA 84 Ca -0.49 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3i93 h ALA 84 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i93 h ALA 84 CO 0.59 -0.60 -0.12 0.41 0.00 0.00 0.00 179.25 179.53 3i93 n GLY 85 N -1.46 -1.22 3.67 0.00 0.00 -1.26 -4.13 105.19 100.79 3i93 n GLY 85 Ca 0.26 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3i93 n GLY 85 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i93 s TYR 86 N -2.74 3.27 -0.30 1.61 5.04 -0.28 -4.88 117.35 119.07 3i93 s TYR 86 Ca 0.21 1.37 0.03 0.00 -2.44 0.00 0.00 57.07 56.24 3i93 s TYR 86 Cb 0.19 -3.32 0.10 0.00 0.35 0.00 0.00 41.96 39.28 3i93 s TYR 86 CO 0.53 -0.81 1.08 0.54 -1.34 0.00 0.00 175.55 175.54 3i93 n ARG 87 N 5.70 2.93 -1.88 4.97 5.12 -1.26 -4.59 116.66 127.65 3i93 n ARG 87 Ca 0.11 -1.67 -0.30 0.00 -1.93 0.00 0.00 57.85 54.06 3i93 n ARG 87 Cb 0.47 -1.09 0.17 0.00 -1.16 0.00 0.00 32.46 30.85 3i93 n ARG 87 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3i93 s GLY 88 N -0.99 1.73 0.23 -0.13 0.00 -1.26 -4.77 107.32 102.12 3i93 s GLY 88 Ca 0.07 -1.08 -0.30 0.00 0.00 0.00 0.00 44.72 43.41 3i93 s GLY 88 CO 0.05 -0.36 1.36 1.85 0.00 0.00 0.00 173.10 176.01 3i93 s GLU 89 N -5.80 4.34 0.00 2.90 2.12 -1.26 -4.32 118.70 116.68 3i93 s GLU 89 Ca 0.72 2.16 -0.30 0.00 0.36 0.00 0.00 54.97 57.91 3i93 s GLU 89 Cb -0.06 -3.15 -0.06 0.00 0.26 0.00 0.00 34.13 31.12 3i93 s GLU 89 CO 0.52 -0.32 1.40 0.42 -0.54 0.00 0.00 175.26 176.75 3i93 s ILE 90 N 0.01 3.70 -0.04 -3.70 1.01 0.07 -4.98 121.20 117.28 3i93 s ILE 90 Ca 0.57 1.09 0.06 0.00 0.00 0.00 0.00 60.65 62.37 3i93 s ILE 90 Cb -0.39 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 3i93 s ILE 90 CO 0.41 0.00 -0.22 -0.54 0.00 0.00 0.00 174.94 174.59 3i93 s LYS 91 N 2.34 2.03 -0.19 2.79 1.02 -1.26 -2.33 119.74 124.14 3i93 s LYS 91 Ca 0.64 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.81 3i93 s LYS 91 Cb -0.32 -1.82 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 3i93 s LYS 91 CO 0.27 0.38 -0.02 0.08 -0.92 0.00 0.00 175.35 175.14 3i93 s VAL 92 N -0.25 3.79 -1.28 3.17 1.01 0.10 -4.83 120.40 122.11 3i93 s VAL 92 Ca 0.01 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 3i93 s VAL 92 Cb -0.11 -2.70 0.12 0.00 0.00 0.00 0.00 36.38 33.69 3i93 s VAL 92 CO 0.01 0.44 1.68 0.00 0.00 0.00 0.00 175.10 177.23 3i93 n ALA 93 N 4.23 4.11 -1.77 5.51 0.00 -1.26 0.18 120.51 131.50 3i93 n ALA 93 Ca -0.17 -4.07 -0.39 0.00 0.00 0.00 0.00 53.44 48.80 3i93 n ALA 93 Cb 0.52 -3.30 -0.03 0.00 0.00 0.00 0.00 19.45 16.64 3i93 n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i93 s LEU 94 N 2.39 4.35 0.00 0.00 1.43 -0.03 -0.48 118.68 126.33 3i93 s LEU 94 Ca 0.47 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 3i93 s LEU 94 Cb 0.03 -3.85 -0.00 0.00 0.03 0.00 0.00 46.19 42.40 3i93 s LEU 94 CO 0.02 -0.46 -0.00 -0.51 0.23 0.00 0.00 176.35 175.63 3i93 s ILE 95 N -1.31 0.00 -0.49 -0.59 2.07 -0.33 -0.76 121.20 119.79 3i93 s ILE 95 Ca 0.52 -0.02 -0.23 0.00 -1.41 0.00 0.00 60.65 59.51 3i93 s ILE 95 Cb -0.32 -0.02 0.03 0.00 0.13 0.00 0.00 42.46 42.29 3i93 s ILE 95 CO 0.41 -0.01 0.82 0.21 -1.91 0.00 0.00 174.94 174.46 3i93 s ASN 96 N -0.03 6.37 -0.02 4.50 3.84 -0.43 -0.92 114.94 128.25 3i93 s ASN 96 Ca -0.00 -0.28 0.19 0.00 0.21 0.00 0.00 52.86 52.97 3i93 s ASN 96 Cb -0.00 -2.39 0.57 0.00 -0.55 0.00 0.00 41.25 38.87 3i93 s ASN 96 CO -0.00 -1.02 1.47 0.18 -2.79 0.00 0.00 177.10 174.94 3i93 n LEU 97 N 6.91 3.51 -4.76 3.21 4.77 0.30 0.35 117.00 131.29 3i93 n LEU 97 Ca 0.01 -1.76 -0.39 0.00 -0.03 0.00 0.00 56.01 53.84 3i93 n LEU 97 Cb 0.48 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3i93 n LEU 97 CO 0.60 0.81 0.69 -0.62 -1.33 0.00 0.00 177.39 177.54 3i93 s ASP 98 N -0.97 7.44 0.52 -1.43 2.15 -1.25 -4.93 116.67 118.19 3i93 s ASP 98 Ca 0.42 2.01 0.25 0.00 0.43 0.00 0.00 52.55 55.66 3i93 s ASP 98 Cb 0.23 -2.61 1.41 0.00 -0.30 0.00 0.00 42.92 41.66 3i93 s ASP 98 CO 0.27 0.00 2.08 -0.65 -0.17 0.00 0.00 175.17 176.71 3i93 h PRO 99 N 3.77 0.00 0.00 4.34 0.11 -1.95 -3.34 132.00 134.93 3i93 h PRO 99 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i93 h PRO 99 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3i93 h PRO 99 CO 0.67 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 178.57 3i93 n ALA 100 N -2.33 0.42 -3.06 -0.75 0.00 -1.26 -4.84 120.51 108.69 3i93 n ALA 100 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 3i93 n ALA 100 Cb 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.54 3i93 n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i93 s ALA 101 N -0.57 3.02 0.65 0.00 0.00 -1.26 -4.81 121.76 118.79 3i93 s ALA 101 Ca 0.00 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 3i93 s ALA 101 Cb 0.00 -1.70 -0.00 0.00 0.00 0.00 0.00 23.12 21.42 3i93 s ALA 101 CO 0.00 -0.03 1.18 -1.25 0.00 0.00 0.00 175.76 175.65 3i93 s PRO 102 N 0.79 2.68 -0.15 0.00 0.04 -1.26 -4.44 135.00 132.66 3i93 s PRO 102 Ca -0.00 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 3i93 s PRO 102 Cb -0.14 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 3i93 s PRO 102 CO 0.02 -1.40 -0.12 0.42 0.04 0.00 0.00 177.00 175.96 3i93 s ILE 103 N -1.93 3.03 -0.22 0.56 1.01 0.07 -4.97 121.20 118.75 3i93 s ILE 103 Ca 0.73 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 3i93 s ILE 103 Cb -0.27 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 3i93 s ILE 103 CO 0.39 0.51 0.07 -0.69 0.00 0.00 0.00 174.94 175.22 3i93 s VAL 104 N 0.58 4.53 -0.16 2.92 1.01 -1.26 -0.21 120.40 127.81 3i93 s VAL 104 Ca -0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 3i93 s VAL 104 Cb -0.16 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3i93 s VAL 104 CO 0.03 0.38 0.04 -0.69 0.00 0.00 0.00 175.10 174.86 3i93 s VAL 105 N 1.10 4.57 0.02 2.92 1.01 0.11 -4.99 120.40 125.13 3i93 s VAL 105 Ca 0.04 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3i93 s VAL 105 Cb -0.14 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3i93 s VAL 105 CO 0.03 0.50 0.03 -1.00 0.00 0.00 0.00 175.10 174.66 3i93 s HIS 106 N 0.06 3.12 0.06 5.22 3.76 -1.26 -0.64 115.29 125.62 3i93 s HIS 106 Ca 0.04 0.09 -0.36 0.00 -0.15 0.00 0.00 55.06 54.68 3i93 s HIS 106 Cb -0.13 -1.66 -0.16 0.00 1.11 0.00 0.00 32.58 31.75 3i93 s HIS 106 CO 0.01 0.49 1.45 -2.13 -0.85 0.00 0.00 174.74 173.72 3i93 n ARG 107 N 1.13 1.41 0.00 1.40 0.63 -1.01 -1.44 116.66 118.78 3i93 n ARG 107 Ca -0.13 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 3i93 n ARG 107 Cb 0.52 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 31.24 3i93 n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i93 n GLY 108 N 2.96 0.60 3.78 5.14 0.00 0.00 -4.95 105.19 112.72 3i93 n GLY 108 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3i93 n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i93 s ASP 109 N -1.86 6.92 -0.29 1.61 1.01 -0.52 -4.79 116.67 118.74 3i93 s ASP 109 Ca 0.00 1.97 -0.24 0.00 0.71 0.00 0.00 52.55 54.99 3i93 s ASP 109 Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.35 3i93 s ASP 109 CO 0.00 -0.37 0.82 -0.13 0.21 0.00 0.00 175.17 175.70 3i93 s ARG 110 N -2.41 4.02 0.00 8.23 0.52 -1.26 -0.82 118.95 127.24 3i93 s ARG 110 Ca 0.56 0.71 0.03 0.00 -0.52 0.00 0.00 55.73 56.52 3i93 s ARG 110 Cb -0.21 -3.71 -0.02 0.00 0.52 0.00 0.00 34.95 31.53 3i93 s ARG 110 CO 0.26 -0.66 0.25 0.44 0.02 0.00 0.00 175.30 175.61 3i93 n ILE 111 N 5.50 0.00 -3.85 1.52 -5.35 -0.34 -4.97 119.36 111.87 3i93 n ILE 111 Ca 0.05 -0.44 -0.04 0.00 -0.27 0.00 0.00 62.75 62.05 3i93 n ILE 111 Cb 0.48 1.02 0.01 0.00 -1.74 0.00 0.00 39.64 39.41 3i93 n ILE 111 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i93 s ALA 112 N -1.09 -1.43 0.03 -1.28 0.00 -1.23 -4.52 121.76 112.24 3i93 s ALA 112 Ca 0.02 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.67 3i93 s ALA 112 Cb 0.03 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 3i93 s ALA 112 CO 0.12 -1.05 -0.10 1.14 0.00 0.00 0.00 175.76 175.87 3i93 s GLN 113 N -2.40 0.67 -0.21 0.00 -2.07 0.32 -0.59 119.66 115.37 3i93 s GLN 113 Ca 0.19 -0.62 -0.04 0.00 -1.82 0.00 0.00 55.36 53.07 3i93 s GLN 113 Cb -0.03 -0.59 -0.01 0.00 -1.09 0.00 0.00 33.01 31.29 3i93 s GLN 113 CO 0.06 0.14 -0.04 -1.17 -1.32 0.00 0.00 175.29 172.96 3i93 s LEU 114 N -1.05 2.93 0.18 2.60 2.96 0.26 -0.35 118.68 126.20 3i93 s LEU 114 Ca -0.02 -0.36 0.05 0.00 -0.22 0.00 0.00 54.13 53.57 3i93 s LEU 114 Cb -0.07 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 3i93 s LEU 114 CO 0.01 0.00 0.17 -0.76 -1.32 0.00 0.00 176.35 174.45 3i93 s LEU 115 N 1.34 3.90 -0.08 -0.68 1.02 0.11 -0.84 118.68 123.44 3i93 s LEU 115 Ca 0.04 -0.10 0.03 0.00 0.02 0.00 0.00 54.13 54.11 3i93 s LEU 115 Cb -0.14 -2.48 0.01 0.00 0.02 0.00 0.00 46.19 43.59 3i93 s LEU 115 CO -0.02 0.04 -0.16 -0.69 0.02 0.00 0.00 176.35 175.54 3i93 s VAL 116 N -1.83 1.47 0.07 -1.59 1.01 -1.26 -0.50 120.40 117.77 3i93 s VAL 116 Ca 0.32 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3i93 s VAL 116 Cb -0.10 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3i93 s VAL 116 CO 0.25 0.43 -0.08 -1.10 0.00 0.00 0.00 175.10 174.59 3i93 s GLN 117 N 0.65 0.68 0.59 2.72 -0.21 -0.38 -4.98 119.66 118.73 3i93 s GLN 117 Ca -0.14 -0.98 -0.19 0.00 0.02 0.00 0.00 55.36 54.07 3i93 s GLN 117 Cb -0.16 -0.36 -0.03 0.00 1.00 0.00 0.00 33.01 33.45 3i93 s GLN 117 CO 0.04 0.05 1.24 1.03 -2.12 0.00 0.00 175.29 175.53 3i93 s ARG 118 N -2.32 2.95 0.09 2.91 0.52 -1.26 0.18 118.95 122.03 3i93 s ARG 118 Ca -0.02 1.91 0.05 0.00 -0.52 0.00 0.00 55.73 57.15 3i93 s ARG 118 Cb -0.05 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 3i93 s ARG 118 CO -0.01 -1.25 -0.12 0.54 0.02 0.00 0.00 175.30 174.49 3i93 s VAL 119 N -1.52 1.06 -0.28 3.52 0.11 0.04 -4.73 120.40 118.60 3i93 s VAL 119 Ca 0.77 -1.55 -0.22 0.00 -2.93 0.00 0.00 61.98 58.06 3i93 s VAL 119 Cb -0.33 -1.29 -0.01 0.00 -1.53 0.00 0.00 36.38 33.23 3i93 s VAL 119 CO 0.36 -0.43 0.70 -1.61 -3.33 0.00 0.00 175.10 170.78 3i93 s GLU 120 N -2.43 4.02 -1.00 1.54 0.41 -1.26 -4.67 118.70 115.31 3i93 s GLU 120 Ca 0.04 0.53 -0.21 0.00 -0.41 0.00 0.00 54.97 54.92 3i93 s GLU 120 Cb -0.06 -3.69 0.09 0.00 -1.78 0.00 0.00 34.13 28.69 3i93 s GLU 120 CO 0.01 -0.54 1.32 -0.51 -0.49 0.00 0.00 175.26 175.05 3i93 s LEU 121 N 2.70 4.25 0.43 1.80 1.43 -1.26 -4.97 118.68 123.06 3i93 s LEU 121 Ca 0.29 -1.80 -0.22 0.00 -1.03 0.00 0.00 54.13 51.36 3i93 s LEU 121 Cb -0.15 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.49 3i93 s LEU 121 CO 0.10 -1.27 1.02 0.68 0.23 0.00 0.00 176.35 177.10 3i93 s VAL 122 N 3.83 3.93 -0.35 -1.59 -7.23 -1.26 -5.01 120.40 112.71 3i93 s VAL 122 Ca 0.40 1.32 -0.13 0.00 -1.81 0.00 0.00 61.98 61.76 3i93 s VAL 122 Cb -0.02 -3.60 -0.01 0.00 0.56 0.00 0.00 36.38 33.31 3i93 s VAL 122 CO -0.09 -0.14 0.25 -0.70 -0.31 0.00 0.00 175.10 174.11 3i93 s GLU 123 N -2.88 3.39 0.22 4.82 2.12 -1.26 -5.07 118.70 120.04 3i93 s GLU 123 Ca 0.62 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.93 3i93 s GLU 123 Cb -0.17 -3.83 -0.09 0.00 0.26 0.00 0.00 34.13 30.30 3i93 s GLU 123 CO 0.21 -0.50 1.30 -0.51 -0.54 0.00 0.00 175.26 175.22 3i93 s LEU 124 N 1.71 4.43 -0.24 2.70 1.43 -1.26 -5.00 118.68 122.44 3i93 s LEU 124 Ca 0.06 2.43 0.01 0.00 -1.03 0.00 0.00 54.13 55.60 3i93 s LEU 124 Cb -0.18 -3.62 0.06 0.00 0.03 0.00 0.00 46.19 42.49 3i93 s LEU 124 CO 0.10 -0.51 -0.08 -0.69 0.23 0.00 0.00 176.35 175.41 3i93 s VAL 125 N -0.11 1.75 -0.03 -1.59 1.01 -1.26 -5.10 120.40 115.08 3i93 s VAL 125 Ca 0.55 -1.35 -0.24 0.00 0.00 0.00 0.00 61.98 60.94 3i93 s VAL 125 Cb -0.37 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3i93 s VAL 125 CO 0.40 -0.06 0.72 -0.70 0.00 0.00 0.00 175.10 175.47 3i93 s GLU 126 N 1.30 4.45 0.19 2.72 2.12 -1.26 -5.03 118.70 123.18 3i93 s GLU 126 Ca -0.07 0.95 0.06 0.00 0.36 0.00 0.00 54.97 56.27 3i93 s GLU 126 Cb -0.19 -3.42 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 3i93 s GLU 126 CO -0.06 0.14 -0.11 0.14 -0.54 0.00 0.00 175.26 174.83 3i93 s VAL 127 N 0.52 1.45 -0.37 3.70 -7.23 -1.26 -5.03 120.40 112.17 3i93 s VAL 127 Ca 0.38 -2.13 0.23 0.00 -1.81 0.00 0.00 61.98 58.65 3i93 s VAL 127 Cb -0.19 -2.01 0.10 0.00 0.56 0.00 0.00 36.38 34.84 3i93 s VAL 127 CO 0.20 -0.62 1.26 0.77 -0.31 0.00 0.00 175.10 176.39 3i93 h SER 128 N 2.63 0.00 -4.93 4.85 4.64 -2.00 -3.47 113.55 115.26 3i93 h SER 128 Ca -0.38 -0.04 0.11 0.00 -0.47 0.00 0.00 61.79 61.02 3i93 h SER 128 Cb 1.21 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.18 3i93 h SER 128 CO 0.63 0.02 0.43 -0.94 -0.87 0.00 0.00 176.83 176.10 3i93 s SER 129 N -5.34 -0.33 0.33 4.97 1.04 -1.26 -5.07 113.70 108.04 3i93 s SER 129 Ca 0.03 -0.16 0.17 0.00 0.48 0.00 0.00 55.95 56.46 3i93 s SER 129 Cb 0.09 0.47 0.43 0.00 0.10 0.00 0.00 66.02 67.11 3i93 s SER 129 CO 0.74 -0.80 1.62 -0.26 0.98 0.00 0.00 173.24 175.51 3i93 h PHE 130 N 2.00 0.00 -0.85 5.02 0.04 -1.94 -2.43 116.94 118.79 3i93 h PHE 130 Ca -0.24 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.71 3i93 h PHE 130 Cb 1.25 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.29 3i93 h PHE 130 CO 0.30 0.45 0.37 -0.44 -0.60 0.00 0.00 178.31 178.40 3i93 h ASP 131 N 0.00 0.36 0.22 2.17 3.32 -1.98 -2.92 116.42 117.58 3i93 h ASP 131 Ca -0.00 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3i93 h ASP 131 Cb 1.10 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3i93 h ASP 131 CO 0.06 0.08 -0.10 -0.08 -1.72 0.00 0.00 179.24 177.48 3i93 h GLU 132 N 0.47 -0.28 -0.03 3.56 4.81 -1.86 -0.54 114.58 120.70 3i93 h GLU 132 Ca 0.49 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 3i93 h GLU 132 Cb 0.83 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.28 3i93 h GLU 132 CO -0.46 -0.03 0.00 0.00 -0.73 0.00 0.00 179.01 177.79 3i93 n ALA 133 N -2.34 1.59 0.00 2.92 0.00 -1.11 -5.10 120.51 116.48 3i93 n ALA 133 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3i93 n ALA 133 Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3i93 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91