#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fx2 s LYS 3 N 0.00 3.68 0.01 0.00 1.02 -1.26 -1.86 119.74 121.33 2fx2 s LYS 3 Ca 0.00 -0.50 0.08 0.00 0.02 0.00 0.00 55.97 55.57 2fx2 s LYS 3 Cb 0.00 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.25 2fx2 s LYS 3 CO 0.00 0.13 -0.23 0.00 -0.92 0.00 0.00 175.35 174.33 2fx2 s ALA 4 N 0.69 1.95 -0.07 5.17 0.00 0.45 -1.39 121.76 128.55 2fx2 s ALA 4 Ca -0.00 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.92 2fx2 s ALA 4 Cb -0.14 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2fx2 s ALA 4 CO 0.02 0.47 -0.17 -1.17 0.00 0.00 0.00 175.76 174.90 2fx2 s LEU 5 N -0.84 2.52 -0.13 0.00 0.20 -0.11 -0.60 118.68 119.71 2fx2 s LEU 5 Ca 0.09 -0.33 0.02 0.00 0.69 0.00 0.00 54.13 54.61 2fx2 s LEU 5 Cb -0.09 -1.51 0.01 0.00 -0.43 0.00 0.00 46.19 44.17 2fx2 s LEU 5 CO 0.00 0.27 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.51 2fx2 s ILE 6 N -0.31 1.89 -0.16 6.68 1.01 0.40 -0.76 121.20 129.95 2fx2 s ILE 6 Ca 0.02 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.80 2fx2 s ILE 6 Cb -0.13 -1.68 0.02 0.00 0.01 0.00 0.00 42.46 40.68 2fx2 s ILE 6 CO 0.03 0.52 -0.17 -0.69 0.00 0.00 0.00 174.94 174.62 2fx2 s VAL 7 N 0.88 1.79 0.16 2.92 1.01 0.02 0.02 120.40 127.18 2fx2 s VAL 7 Ca -0.07 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.21 2fx2 s VAL 7 Cb -0.15 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2fx2 s VAL 7 CO -0.02 0.49 -0.16 -0.72 0.00 0.00 0.00 175.10 174.70 2fx2 s TYR 8 N 1.40 1.62 -0.13 5.22 -0.85 -0.69 -0.53 117.35 123.40 2fx2 s TYR 8 Ca 0.05 -0.53 0.03 0.00 -0.52 0.00 0.00 57.07 56.10 2fx2 s TYR 8 Cb -0.13 -0.81 0.01 0.00 0.38 0.00 0.00 41.96 41.40 2fx2 s TYR 8 CO -0.12 0.26 -0.22 0.20 -1.52 0.00 0.00 175.55 174.15 2fx2 s GLY 9 N -2.72 1.36 -0.15 5.49 0.00 -0.61 0.04 107.32 110.72 2fx2 s GLY 9 Ca 0.14 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.74 2fx2 s GLY 9 CO 0.05 -0.13 0.35 -0.45 0.00 0.00 0.00 173.10 172.92 2fx2 s SER 10 N 0.65 -0.30 -0.24 1.64 0.15 -1.26 -3.38 113.70 110.95 2fx2 s SER 10 Ca -0.11 0.78 -0.02 0.00 0.70 0.00 0.00 55.95 57.29 2fx2 s SER 10 Cb -0.16 0.76 -0.18 0.00 -1.71 0.00 0.00 66.02 64.73 2fx2 s SER 10 CO 0.02 -0.20 -0.15 0.41 1.20 0.00 0.00 173.24 174.52 2fx2 n THR 11 N 4.57 1.54 -0.29 6.45 -1.04 -1.26 -4.46 114.28 119.79 2fx2 n THR 11 Ca -0.19 -0.54 0.09 0.00 -2.04 0.00 0.00 64.05 61.37 2fx2 n THR 11 Cb 0.53 -1.55 0.25 0.00 -1.82 0.00 0.00 70.33 67.74 2fx2 n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2fx2 n THR 12 N -3.47 0.99 -0.47 12.58 -2.24 -1.26 -4.99 114.28 115.42 2fx2 n THR 12 Ca -0.45 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 2fx2 n THR 12 Cb 0.97 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 2fx2 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fx2 n GLY 13 N 1.19 0.74 0.11 3.38 0.00 -1.26 -4.98 105.19 104.37 2fx2 n GLY 13 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 2fx2 n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2fx2 h ASN 14 N 0.00 0.31 0.04 1.61 2.35 -1.94 -1.53 115.58 116.42 2fx2 h ASN 14 Ca 0.00 -0.73 -0.19 0.00 -0.55 0.00 0.00 56.30 54.83 2fx2 h ASN 14 Cb 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2fx2 h ASN 14 CO 0.00 1.00 -0.70 0.74 -1.65 0.00 0.00 177.43 176.82 2fx2 h THR 15 N -0.35 1.33 -0.27 2.81 2.02 -1.94 -2.57 112.91 113.95 2fx2 h THR 15 Ca -0.03 -1.99 -0.01 0.00 0.77 0.00 0.00 66.41 65.15 2fx2 h THR 15 Cb 1.03 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 2fx2 h THR 15 CO 0.06 0.62 0.11 -0.08 0.37 0.00 0.00 175.52 176.60 2fx2 h GLU 16 N 0.42 0.40 -0.75 6.66 4.81 -1.85 -1.06 114.58 123.22 2fx2 h GLU 16 Ca -0.03 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2fx2 h GLU 16 Cb 1.29 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 2fx2 h GLU 16 CO 0.13 0.42 0.46 -0.92 -0.73 0.00 0.00 179.01 178.37 2fx2 h TYR 17 N 0.29 0.86 0.44 0.92 5.03 -1.13 -1.82 116.97 121.55 2fx2 h TYR 17 Ca 0.09 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 2fx2 h TYR 17 Cb 0.16 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 2fx2 h TYR 17 CO -0.01 0.47 -0.29 1.15 -1.32 0.00 0.00 178.16 178.16 2fx2 h THR 18 N 0.88 0.41 -0.68 1.81 2.02 -1.33 -2.21 112.91 113.80 2fx2 h THR 18 Ca 0.31 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.54 2fx2 h THR 18 Cb 0.08 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 2fx2 h THR 18 CO -0.14 0.00 0.40 0.00 0.37 0.00 0.00 175.52 176.15 2fx2 h ALA 19 N -0.19 0.91 -0.57 6.16 0.00 -1.00 -1.35 119.26 123.23 2fx2 h ALA 19 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2fx2 h ALA 19 Cb 0.58 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2fx2 h ALA 19 CO 0.04 0.11 0.06 0.93 0.00 0.00 0.00 179.25 180.38 2fx2 h GLU 20 N 0.75 0.96 0.01 0.00 5.08 -1.16 -1.19 114.58 119.03 2fx2 h GLU 20 Ca 0.30 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2fx2 h GLU 20 Cb 0.14 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2fx2 h GLU 20 CO -0.16 0.94 -0.00 1.15 -1.00 0.00 0.00 179.01 179.93 2fx2 h THR 21 N 0.85 1.22 -0.43 1.13 2.02 -1.14 -1.99 112.91 114.57 2fx2 h THR 21 Ca 0.17 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 2fx2 h THR 21 Cb 0.46 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2fx2 h THR 21 CO 0.02 0.18 0.10 0.40 0.37 0.00 0.00 175.52 176.59 2fx2 h ILE 22 N -0.31 1.23 -0.45 3.11 2.04 -1.16 -2.87 117.51 119.10 2fx2 h ILE 22 Ca -0.00 -0.81 0.07 0.00 1.00 0.00 0.00 64.86 65.12 2fx2 h ILE 22 Cb 0.30 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 2fx2 h ILE 22 CO 0.00 0.28 0.11 0.00 0.00 0.00 0.00 178.15 178.55 2fx2 h ALA 23 N 0.96 0.51 -0.18 1.87 0.00 -1.08 -1.97 119.26 119.38 2fx2 h ALA 23 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2fx2 h ALA 23 Cb 0.32 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2fx2 h ALA 23 CO 0.00 -0.29 0.08 -0.09 0.00 0.00 0.00 179.25 178.95 2fx2 h ARG 24 N 0.25 0.26 -0.74 0.00 9.65 -1.28 -0.41 114.38 122.11 2fx2 h ARG 24 Ca 0.22 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.04 2fx2 h ARG 24 Cb 0.27 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 2fx2 h ARG 24 CO -0.27 0.32 0.38 0.93 2.80 0.00 0.00 179.97 184.13 2fx2 h GLU 25 N 0.14 1.05 -0.14 0.20 4.39 -1.30 0.06 114.58 118.99 2fx2 h GLU 25 Ca 0.06 -0.14 -0.18 0.00 0.34 0.00 0.00 59.36 59.44 2fx2 h GLU 25 Cb 0.15 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2fx2 h GLU 25 CO -0.01 0.80 -0.60 -0.07 -1.16 0.00 0.00 179.01 177.98 2fx2 h LEU 26 N 1.03 0.77 -0.27 1.33 3.38 -1.23 -3.02 115.31 117.30 2fx2 h LEU 26 Ca 0.26 -0.62 0.01 0.00 0.09 0.00 0.00 57.88 57.62 2fx2 h LEU 26 Cb 0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2fx2 h LEU 26 CO -0.04 1.26 0.16 0.00 0.09 0.00 0.00 178.44 179.92 2fx2 h ALA 27 N 0.52 0.34 0.00 1.53 0.00 -0.90 -1.95 119.26 118.81 2fx2 h ALA 27 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2fx2 h ALA 27 Cb 1.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2fx2 h ALA 27 CO 0.12 -0.22 -0.01 -0.44 0.00 0.00 0.00 179.25 178.71 2fx2 h ASP 28 N 0.33 0.00 0.80 0.00 5.19 -0.98 -2.47 116.42 119.30 2fx2 h ASP 28 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2fx2 h ASP 28 Cb -0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2fx2 h ASP 28 CO -0.05 0.01 -0.02 0.00 -3.12 0.00 0.00 179.24 176.05 2fx2 n ALA 29 N -2.52 2.45 -0.24 3.45 0.00 -0.99 -4.95 120.51 117.71 2fx2 n ALA 29 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2fx2 n ALA 29 Cb 0.10 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2fx2 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fx2 n GLY 30 N 1.42 0.72 3.78 0.00 0.00 -0.93 -5.08 105.19 105.10 2fx2 n GLY 30 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2fx2 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fx2 s TYR 31 N -2.30 2.72 -0.26 1.61 1.51 -0.77 -4.75 117.35 115.11 2fx2 s TYR 31 Ca 0.00 1.54 -0.18 0.00 -1.01 0.00 0.00 57.07 57.41 2fx2 s TYR 31 Cb 0.00 -3.10 -0.03 0.00 -0.11 0.00 0.00 41.96 38.73 2fx2 s TYR 31 CO 0.00 -1.57 0.53 -1.21 -1.11 0.00 0.00 175.55 172.19 2fx2 s GLU 32 N -4.30 4.07 -0.09 -0.62 2.02 -0.78 -4.38 118.70 114.61 2fx2 s GLU 32 Ca 0.65 0.34 0.03 0.00 0.02 0.00 0.00 54.97 56.01 2fx2 s GLU 32 Cb -0.19 -3.65 -0.01 0.00 0.10 0.00 0.00 34.13 30.38 2fx2 s GLU 32 CO 0.44 -0.36 -0.20 0.08 0.02 0.00 0.00 175.26 175.24 2fx2 s VAL 33 N 2.33 2.41 -0.17 2.63 1.01 -1.26 -0.41 120.40 126.94 2fx2 s VAL 33 Ca 0.22 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2fx2 s VAL 33 Cb -0.16 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2fx2 s VAL 33 CO 0.09 0.55 -0.12 -0.62 0.00 0.00 0.00 175.10 175.01 2fx2 s ASP 34 N 0.14 3.93 -0.15 3.32 -1.08 0.23 -4.97 116.67 118.09 2fx2 s ASP 34 Ca -0.11 -0.41 0.02 0.00 -0.52 0.00 0.00 52.55 51.53 2fx2 s ASP 34 Cb -0.16 -1.62 0.01 0.00 -1.46 0.00 0.00 42.92 39.69 2fx2 s ASP 34 CO 0.06 0.07 -0.21 -0.55 0.52 0.00 0.00 175.17 175.07 2fx2 s SER 35 N 0.89 3.17 -0.02 -0.34 0.15 -1.26 -0.45 113.70 115.84 2fx2 s SER 35 Ca -0.03 -0.61 0.04 0.00 0.70 0.00 0.00 55.95 56.05 2fx2 s SER 35 Cb -0.15 -1.47 -0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2fx2 s SER 35 CO -0.00 0.05 -0.12 -0.13 1.20 0.00 0.00 173.24 174.24 2fx2 s ARG 36 N 0.98 1.14 0.17 5.44 0.52 0.10 -4.95 118.95 122.34 2fx2 s ARG 36 Ca -0.03 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 2fx2 s ARG 36 Cb -0.15 -1.06 -0.08 0.00 0.52 0.00 0.00 34.95 34.18 2fx2 s ARG 36 CO -0.05 0.22 1.29 0.34 0.02 0.00 0.00 175.30 177.11 2fx2 s ASP 37 N -0.08 6.94 0.56 0.23 -1.08 -1.26 -1.70 116.67 120.28 2fx2 s ASP 37 Ca 0.01 2.31 0.26 0.00 -0.52 0.00 0.00 52.55 54.61 2fx2 s ASP 37 Cb -0.07 -2.60 1.49 0.00 -1.46 0.00 0.00 42.92 40.28 2fx2 s ASP 37 CO 0.00 -0.51 2.05 0.00 0.52 0.00 0.00 175.17 177.22 2fx2 h ALA 38 N 5.76 2.13 -0.27 3.66 0.00 -0.70 -2.19 119.26 127.65 2fx2 h ALA 38 Ca -0.44 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.54 2fx2 h ALA 38 Cb 1.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2fx2 h ALA 38 CO 0.79 -0.44 0.24 0.00 0.00 0.00 0.00 179.25 179.83 2fx2 h ALA 39 N 1.75 2.06 -0.36 0.00 0.00 -1.81 -2.88 119.26 118.02 2fx2 h ALA 39 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2fx2 h ALA 39 Cb 0.70 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2fx2 h ALA 39 CO -0.00 -0.38 0.00 -1.13 0.00 0.00 0.00 179.25 177.74 2fx2 n SER 40 N -4.08 3.78 -4.74 0.00 3.41 -0.82 -5.01 113.62 106.15 2fx2 n SER 40 Ca 0.04 -2.60 -0.23 0.00 -0.26 0.00 0.00 58.87 55.81 2fx2 n SER 40 Cb 0.39 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 2fx2 n SER 40 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2fx2 s VAL 41 N -2.09 3.04 -0.09 -3.33 -7.23 -1.09 -5.02 120.40 104.59 2fx2 s VAL 41 Ca 0.38 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 2fx2 s VAL 41 Cb 0.27 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2fx2 s VAL 41 CO 0.14 -0.18 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.94 2fx2 s GLU 42 N -3.86 2.96 0.21 4.82 2.02 -1.26 -5.01 118.70 118.58 2fx2 s GLU 42 Ca 0.38 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.51 2fx2 s GLU 42 Cb -0.03 -2.38 0.18 0.00 0.10 0.00 0.00 34.13 32.01 2fx2 s GLU 42 CO 0.23 0.29 1.67 0.00 0.02 0.00 0.00 175.26 177.48 2fx2 h ALA 43 N 6.38 0.93 -1.98 5.21 0.00 -1.93 -3.41 119.26 124.45 2fx2 h ALA 43 Ca -0.28 -0.32 -0.63 0.00 0.00 0.00 0.00 54.91 53.69 2fx2 h ALA 43 Cb 1.20 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.82 2fx2 h ALA 43 CO 0.50 0.63 1.07 0.41 0.00 0.00 0.00 179.25 181.86 2fx2 n GLY 44 N -0.43 1.39 2.38 0.00 0.00 -1.25 -2.54 105.19 104.74 2fx2 n GLY 44 Ca 0.02 0.87 -0.16 0.00 0.00 0.00 0.00 46.02 46.75 2fx2 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fx2 n GLY 45 N 4.36 -0.07 0.34 -0.02 0.00 0.24 -4.88 105.19 105.15 2fx2 n GLY 45 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 2fx2 n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2fx2 h LEU 46 N 0.00 0.91 -0.09 0.99 5.85 -1.19 -2.65 115.31 119.13 2fx2 h LEU 46 Ca -0.37 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2fx2 h LEU 46 Cb 1.23 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2fx2 h LEU 46 CO 0.46 0.76 -0.26 0.49 -0.34 0.00 0.00 178.44 179.55 2fx2 n PHE 47 N -4.34 0.00 -1.99 1.25 3.72 -0.55 -4.90 117.46 110.65 2fx2 n PHE 47 Ca 0.07 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 2fx2 n PHE 47 Cb 0.12 -0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.35 2fx2 n PHE 47 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2fx2 s GLU 48 N -2.84 4.25 0.00 -1.08 2.02 -1.00 -2.27 118.70 117.77 2fx2 s GLU 48 Ca 0.17 2.31 0.00 0.00 0.02 0.00 0.00 54.97 57.47 2fx2 s GLU 48 Cb 0.19 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.29 2fx2 s GLU 48 CO 0.59 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.79 2fx2 n GLY 49 N 2.79 0.78 3.47 -1.39 0.00 -1.26 -5.09 105.19 104.49 2fx2 n GLY 49 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2fx2 n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fx2 s PHE 50 N -2.13 2.50 0.07 1.61 0.08 -0.96 -4.89 117.98 114.26 2fx2 s PHE 50 Ca 0.00 -0.28 -0.07 0.00 0.12 0.00 0.00 56.93 56.70 2fx2 s PHE 50 Cb 0.00 -1.34 -0.28 0.00 -0.57 0.00 0.00 43.02 40.83 2fx2 s PHE 50 CO 0.00 0.37 1.12 -0.44 -0.10 0.00 0.00 175.22 176.17 2fx2 h ASP 51 N 3.80 0.55 -3.73 1.36 3.32 -1.58 -3.47 116.42 116.68 2fx2 h ASP 51 Ca -0.50 -0.57 -0.31 0.00 0.02 0.00 0.00 57.03 55.67 2fx2 h ASP 51 Cb 1.17 -0.18 -0.30 0.00 0.22 0.00 0.00 39.33 40.24 2fx2 h ASP 51 CO 0.45 1.43 -0.75 -0.22 -1.72 0.00 0.00 179.24 178.44 2fx2 s LEU 52 N -7.33 1.75 -0.10 1.55 2.96 -1.03 -4.28 118.68 112.21 2fx2 s LEU 52 Ca -0.05 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 2fx2 s LEU 52 Cb 0.06 -0.20 0.02 0.00 0.50 0.00 0.00 46.19 46.57 2fx2 s LEU 52 CO 0.90 -0.00 -0.13 -0.69 -1.32 0.00 0.00 176.35 175.10 2fx2 s VAL 53 N 0.26 1.35 -0.19 1.68 1.01 -0.90 -0.93 120.40 122.67 2fx2 s VAL 53 Ca -0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2fx2 s VAL 53 Cb -0.05 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 2fx2 s VAL 53 CO -0.01 0.41 -0.11 -0.76 0.00 0.00 0.00 175.10 174.64 2fx2 s LEU 54 N 1.00 2.64 -0.19 3.92 1.43 0.06 -2.13 118.68 125.41 2fx2 s LEU 54 Ca -0.07 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2fx2 s LEU 54 Cb -0.15 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 2fx2 s LEU 54 CO -0.01 0.03 -0.10 -0.76 0.23 0.00 0.00 176.35 175.73 2fx2 s LEU 55 N 1.18 2.65 -0.01 1.79 1.02 -0.99 -0.80 118.68 123.51 2fx2 s LEU 55 Ca 0.02 -0.45 0.08 0.00 0.02 0.00 0.00 54.13 53.80 2fx2 s LEU 55 Cb -0.14 -1.64 -0.02 0.00 0.02 0.00 0.00 46.19 44.41 2fx2 s LEU 55 CO -0.04 0.03 -0.26 -0.83 0.02 0.00 0.00 176.35 175.27 2fx2 s GLY 56 N 1.18 1.29 -0.28 -3.19 0.00 0.31 -0.81 107.32 105.83 2fx2 s GLY 56 Ca 0.02 -1.13 -0.20 0.00 0.00 0.00 0.00 44.72 43.40 2fx2 s GLY 56 CO -0.04 -0.95 0.74 0.00 0.00 0.00 0.00 173.10 172.85 2fx2 s SER 58 N 1.02 6.57 -0.15 0.00 1.04 -1.22 -3.89 113.70 117.08 2fx2 s SER 58 Ca -0.05 1.49 -0.04 0.00 0.48 0.00 0.00 55.95 57.82 2fx2 s SER 58 Cb -0.05 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 2fx2 s SER 58 CO -0.10 -0.59 -0.00 -0.89 0.98 0.00 0.00 173.24 172.64 2fx2 s THR 59 N -2.64 4.21 0.27 2.02 2.01 -1.16 -2.37 115.64 117.97 2fx2 s THR 59 Ca 0.57 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.34 2fx2 s THR 59 Cb -0.10 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.56 2fx2 s THR 59 CO 0.34 0.51 0.06 0.79 -0.69 0.00 0.00 174.62 175.63 2fx2 n TRP 60 N 3.26 0.28 0.00 4.92 7.02 -0.31 -4.90 117.44 127.71 2fx2 n TRP 60 Ca -0.17 -1.60 0.00 0.00 -1.02 0.00 0.00 57.50 54.71 2fx2 n TRP 60 Cb 0.53 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.35 2fx2 n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2fx2 n GLY 61 N 0.67 3.09 5.00 6.99 0.00 -1.26 -2.00 105.19 117.67 2fx2 n GLY 61 Ca -0.06 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2fx2 n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2fx2 n ASP 62 N 0.96 0.00 0.11 1.61 -0.08 -1.26 -3.68 116.55 114.20 2fx2 n ASP 62 Ca 0.00 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.40 2fx2 n ASP 62 Cb 0.00 0.00 0.28 0.00 2.34 0.00 0.00 41.12 43.74 2fx2 n ASP 62 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 2fx2 h ASP 63 N 0.00 0.00 -5.75 1.67 2.03 -2.02 -3.40 116.42 108.95 2fx2 h ASP 63 Ca 0.00 -0.07 -0.39 0.00 -0.73 0.00 0.00 57.03 55.84 2fx2 h ASP 63 Cb 0.00 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.39 2fx2 h ASP 63 CO 0.00 0.03 -0.37 -0.94 -1.03 0.00 0.00 179.24 176.93 2fx2 s SER 64 N -4.70 1.35 -0.13 4.15 1.04 -1.24 -5.07 113.70 109.10 2fx2 s SER 64 Ca 0.08 -1.65 -0.16 0.00 0.48 0.00 0.00 55.95 54.70 2fx2 s SER 64 Cb 0.12 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 2fx2 s SER 64 CO 0.66 -1.15 0.39 -0.63 0.98 0.00 0.00 173.24 173.48 2fx2 s ILE 65 N -3.29 5.23 -0.11 -1.02 1.01 -1.26 -4.27 121.20 117.48 2fx2 s ILE 65 Ca 0.37 0.77 0.02 0.00 0.00 0.00 0.00 60.65 61.80 2fx2 s ILE 65 Cb 0.01 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.77 2fx2 s ILE 65 CO 0.24 0.37 -0.17 -1.61 0.00 0.00 0.00 174.94 173.78 2fx2 s GLU 66 N 0.42 2.38 0.72 2.79 2.02 -0.85 -4.95 118.70 121.23 2fx2 s GLU 66 Ca 0.22 -0.63 -0.11 0.00 0.02 0.00 0.00 54.97 54.47 2fx2 s GLU 66 Cb -0.14 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.13 2fx2 s GLU 66 CO 0.08 -0.03 1.07 -0.51 0.02 0.00 0.00 175.26 175.89 2fx2 s LEU 67 N 0.89 2.93 0.40 1.80 1.02 -1.26 -1.17 118.68 123.29 2fx2 s LEU 67 Ca -0.08 1.41 -0.24 0.00 0.02 0.00 0.00 54.13 55.24 2fx2 s LEU 67 Cb -0.15 -4.21 -0.11 0.00 0.02 0.00 0.00 46.19 41.74 2fx2 s LEU 67 CO -0.01 -1.53 0.94 1.67 0.02 0.00 0.00 176.35 177.45 2fx2 n GLN 68 N -3.17 1.23 -0.11 1.70 0.00 -1.00 -4.78 117.38 111.26 2fx2 n GLN 68 Ca 0.07 0.44 -0.05 0.00 -0.00 0.00 0.00 57.00 57.46 2fx2 n GLN 68 Cb 0.55 -1.94 0.02 0.00 0.00 0.00 0.00 30.24 28.87 2fx2 n GLN 68 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 2fx2 h ASP 69 N 1.48 0.00 0.47 1.69 2.03 -1.93 -2.12 116.42 118.04 2fx2 h ASP 69 Ca -0.43 0.06 -0.03 0.00 -0.73 0.00 0.00 57.03 55.90 2fx2 h ASP 69 Cb 1.35 0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 39.93 2fx2 h ASP 69 CO 0.56 0.04 -0.17 0.44 -1.03 0.00 0.00 179.24 179.09 2fx2 h ASP 70 N 0.19 0.00 1.11 4.15 3.32 -1.95 -2.87 116.42 120.38 2fx2 h ASP 70 Ca 0.18 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 2fx2 h ASP 70 Cb 0.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2fx2 h ASP 70 CO -0.23 0.17 -0.78 0.15 -1.72 0.00 0.00 179.24 176.82 2fx2 h PHE 71 N 0.00 0.00 -0.46 4.55 3.04 -1.71 -3.38 116.94 118.98 2fx2 h PHE 71 Ca -0.00 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.03 2fx2 h PHE 71 Cb 0.45 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 38.86 2fx2 h PHE 71 CO 0.00 0.78 -0.34 0.82 -2.02 0.00 0.00 178.31 177.55 2fx2 h ILE 72 N 0.00 0.19 -1.00 1.41 2.04 -1.35 -2.05 117.51 116.75 2fx2 h ILE 72 Ca -0.01 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.04 2fx2 h ILE 72 Cb 1.55 0.19 -0.10 0.00 -0.74 0.00 0.00 36.82 37.72 2fx2 h ILE 72 CO 0.10 0.00 0.61 -0.65 0.00 0.00 0.00 178.15 178.22 2fx2 h PRO 73 N -0.23 0.73 -0.25 2.37 0.11 -1.78 -1.72 132.00 131.23 2fx2 h PRO 73 Ca 0.19 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 2fx2 h PRO 73 Cb 0.55 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2fx2 h PRO 73 CO -0.59 0.48 0.01 1.25 -0.21 0.00 0.00 178.00 178.95 2fx2 h LEU 74 N 0.75 0.42 -0.88 2.35 5.85 -1.62 -2.49 115.31 119.69 2fx2 h LEU 74 Ca 0.57 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 59.04 2fx2 h LEU 74 Cb 0.90 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 2fx2 h LEU 74 CO -0.36 0.61 0.56 0.15 -0.34 0.00 0.00 178.44 179.06 2fx2 h PHE 75 N 0.22 1.04 -0.38 1.25 3.57 -0.93 -1.76 116.94 119.94 2fx2 h PHE 75 Ca 0.07 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 2fx2 h PHE 75 Cb 0.39 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2fx2 h PHE 75 CO 0.03 0.55 -0.02 -0.44 -2.23 0.00 0.00 178.31 176.21 2fx2 h ASP 76 N 1.04 0.58 -0.59 0.41 3.32 -1.24 -2.94 116.42 117.00 2fx2 h ASP 76 Ca 0.37 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 2fx2 h ASP 76 Cb 0.11 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2fx2 h ASP 76 CO -0.15 0.67 0.06 -1.20 -1.72 0.00 0.00 179.24 176.89 2fx2 n SER 77 N -4.24 5.42 -0.11 6.45 7.64 -0.92 -4.75 113.62 123.10 2fx2 n SER 77 Ca 0.02 -3.01 0.16 0.00 1.01 0.00 0.00 58.87 57.05 2fx2 n SER 77 Cb 0.28 -0.69 0.56 0.00 -1.01 0.00 0.00 64.21 63.34 2fx2 n SER 77 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2fx2 h LEU 78 N 3.54 0.28 0.00 -3.43 5.85 -1.15 -2.46 115.31 117.94 2fx2 h LEU 78 Ca 0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2fx2 h LEU 78 Cb 2.03 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.02 2fx2 h LEU 78 CO 0.53 0.15 0.00 -1.84 -0.34 0.00 0.00 178.44 176.94 2fx2 n GLU 79 N -4.45 0.12 0.00 1.25 0.28 -1.26 -2.52 120.64 114.07 2fx2 n GLU 79 Ca 0.13 0.16 0.13 0.00 -0.16 0.00 0.00 57.16 57.41 2fx2 n GLU 79 Cb 0.54 -1.50 0.28 0.00 1.43 0.00 0.00 31.44 32.18 2fx2 n GLU 79 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2fx2 n GLU 80 N -1.40 1.79 0.09 3.44 1.02 -0.92 -4.62 120.64 120.05 2fx2 n GLU 80 Ca 0.06 -1.31 -0.18 0.00 -0.02 0.00 0.00 57.16 55.72 2fx2 n GLU 80 Cb 0.18 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 29.98 2fx2 n GLU 80 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2fx2 h THR 81 N 3.20 1.32 0.00 2.62 1.35 -1.57 0.68 112.91 120.51 2fx2 h THR 81 Ca 0.00 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.96 2fx2 h THR 81 Cb 0.73 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 2fx2 h THR 81 CO 0.00 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 2fx2 n GLY 82 N 1.62 0.62 0.13 5.82 0.00 -1.26 -1.48 105.19 110.63 2fx2 n GLY 82 Ca -0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.98 2fx2 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fx2 h ALA 83 N 0.00 0.60 -1.97 4.61 0.00 -1.89 -3.42 119.26 117.18 2fx2 h ALA 83 Ca 0.00 -0.18 -0.64 0.00 0.00 0.00 0.00 54.91 54.10 2fx2 h ALA 83 Cb 0.00 0.05 0.04 0.00 0.00 0.00 0.00 17.79 17.88 2fx2 h ALA 83 CO 0.00 0.20 0.80 0.94 0.00 0.00 0.00 179.25 181.19 2fx2 n GLN 84 N -2.80 1.78 -0.84 0.00 7.27 -1.26 -0.99 117.38 120.55 2fx2 n GLN 84 Ca -0.01 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.70 2fx2 n GLN 84 Cb 0.61 -2.39 0.00 0.00 2.41 0.00 0.00 30.24 30.87 2fx2 n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2fx2 n GLY 85 N 3.55 0.39 3.80 1.69 0.00 0.42 -4.88 105.19 110.15 2fx2 n GLY 85 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2fx2 n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fx2 s ARG 86 N -0.72 4.40 -0.23 1.61 6.06 -0.16 -4.69 118.95 125.23 2fx2 s ARG 86 Ca 0.00 1.05 -0.26 0.00 -2.50 0.00 0.00 55.73 54.02 2fx2 s ARG 86 Cb 0.00 -2.90 -0.00 0.00 0.06 0.00 0.00 34.95 32.11 2fx2 s ARG 86 CO 0.00 0.38 0.91 0.15 -2.50 0.00 0.00 175.30 174.24 2fx2 s LYS 87 N -1.90 4.23 0.06 5.12 1.02 -1.26 0.71 119.74 127.73 2fx2 s LYS 87 Ca 0.44 1.12 -0.00 0.00 0.02 0.00 0.00 55.97 57.55 2fx2 s LYS 87 Cb -0.18 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 2fx2 s LYS 87 CO 0.23 -0.54 -0.04 0.14 -0.92 0.00 0.00 175.35 174.22 2fx2 s VAL 88 N 2.89 0.32 -0.00 3.17 -7.23 0.45 -2.12 120.40 117.89 2fx2 s VAL 88 Ca 0.39 -1.77 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 2fx2 s VAL 88 Cb -0.15 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.34 2fx2 s VAL 88 CO 0.08 -0.93 0.24 0.00 -0.31 0.00 0.00 175.10 174.18 2fx2 s ALA 89 N -3.66 -0.59 0.21 1.32 0.00 -0.90 -1.53 121.76 116.60 2fx2 s ALA 89 Ca 0.06 0.11 0.11 0.00 0.00 0.00 0.00 51.96 52.25 2fx2 s ALA 89 Cb 0.06 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 2fx2 s ALA 89 CO -0.08 -0.25 -0.23 0.00 0.00 0.00 0.00 175.76 175.19 2fx2 s PHE 91 N -1.84 0.62 -0.28 0.00 -0.71 0.01 -1.78 117.98 114.01 2fx2 s PHE 91 Ca 0.22 -0.95 -0.38 0.00 -1.04 0.00 0.00 56.93 54.78 2fx2 s PHE 91 Cb -0.07 -0.16 0.16 0.00 -1.21 0.00 0.00 43.02 41.73 2fx2 s PHE 91 CO 0.11 -0.75 1.36 0.20 -1.34 0.00 0.00 175.22 174.80 2fx2 s GLY 92 N -3.04 -0.20 0.06 1.99 0.00 -0.03 -1.37 107.32 104.74 2fx2 s GLY 92 Ca 0.25 1.92 0.02 0.00 0.00 0.00 0.00 44.72 46.90 2fx2 s GLY 92 CO 0.05 0.65 0.11 0.00 0.00 0.00 0.00 173.10 173.92 2fx2 n GLY 94 N 0.53 2.69 3.06 0.00 0.00 -0.07 -3.00 105.19 108.40 2fx2 n GLY 94 Ca -0.08 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 2fx2 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2fx2 s ASP 95 N 1.00 -0.03 0.00 1.61 -1.08 -1.26 -1.99 116.67 114.92 2fx2 s ASP 95 Ca 0.00 0.60 0.13 0.00 -0.52 0.00 0.00 52.55 52.76 2fx2 s ASP 95 Cb 0.00 0.59 0.79 0.00 -1.46 0.00 0.00 42.92 42.84 2fx2 s ASP 95 CO 0.00 -0.20 1.27 -1.54 0.52 0.00 0.00 175.17 175.22 2fx2 n SER 96 N 4.74 0.00 0.01 -0.34 3.41 -1.26 -2.01 113.62 118.18 2fx2 n SER 96 Ca -0.17 -0.91 0.13 0.00 -0.26 0.00 0.00 58.87 57.66 2fx2 n SER 96 Cb 0.52 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.84 2fx2 n SER 96 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2fx2 n SER 97 N -0.81 0.38 -4.90 4.04 3.41 -1.26 -4.84 113.62 109.63 2fx2 n SER 97 Ca 0.10 0.11 -0.28 0.00 -0.26 0.00 0.00 58.87 58.54 2fx2 n SER 97 Cb 0.05 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 2fx2 n SER 97 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2fx2 s TYR 98 N -3.03 3.51 0.22 7.33 2.02 -0.85 -5.00 117.35 121.55 2fx2 s TYR 98 Ca 0.11 0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 57.52 2fx2 s TYR 98 Cb 0.17 -2.21 0.22 0.00 -0.40 0.00 0.00 41.96 39.74 2fx2 s TYR 98 CO 0.64 -0.05 1.63 1.49 -1.57 0.00 0.00 175.55 177.69 2fx2 h GLU 99 N 0.95 0.69 -3.37 -0.62 4.81 -1.89 -3.30 114.58 111.86 2fx2 h GLU 99 Ca -0.48 -0.29 -0.71 0.00 -0.13 0.00 0.00 59.36 57.75 2fx2 h GLU 99 Cb 1.20 -0.03 -0.35 0.00 0.63 0.00 0.00 28.75 30.21 2fx2 h GLU 99 CO 0.63 0.89 -0.07 0.71 -0.73 0.00 0.00 179.01 180.44 2fx2 s TYR 100 N -4.51 3.88 -0.19 0.92 2.02 -1.26 -5.04 117.35 113.17 2fx2 s TYR 100 Ca -0.09 -2.96 -0.31 0.00 -0.37 0.00 0.00 57.07 53.35 2fx2 s TYR 100 Cb 0.13 -3.30 -0.08 0.00 -0.40 0.00 0.00 41.96 38.31 2fx2 s TYR 100 CO 0.83 -0.77 2.13 0.34 -1.57 0.00 0.00 175.55 176.51 2fx2 n PHE 101 N 2.49 2.02 -2.86 2.71 7.35 -1.25 -2.25 117.46 125.68 2fx2 n PHE 101 Ca 0.20 -0.07 -0.18 0.00 -0.76 0.00 0.00 57.45 56.65 2fx2 n PHE 101 Cb 0.37 -2.69 0.00 0.00 0.35 0.00 0.00 39.48 37.51 2fx2 n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2fx2 h GLY 103 N -0.55 0.00 0.93 0.00 0.00 -1.85 -1.23 103.07 100.37 2fx2 h GLY 103 Ca -0.38 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.95 2fx2 h GLY 103 CO 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.98 2fx2 h ALA 104 N 1.55 0.01 -0.35 3.60 0.00 -1.88 -1.30 119.26 120.90 2fx2 h ALA 104 Ca 0.28 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.27 2fx2 h ALA 104 Cb 1.27 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 2fx2 h ALA 104 CO -0.00 -0.50 -0.23 0.28 0.00 0.00 0.00 179.25 178.80 2fx2 h VAL 105 N -0.01 0.38 -0.31 0.00 2.07 -1.45 -1.74 116.25 115.19 2fx2 h VAL 105 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2fx2 h VAL 105 Cb 0.03 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2fx2 h VAL 105 CO -0.03 0.00 0.18 0.44 0.02 0.00 0.00 177.57 178.18 2fx2 h ASP 106 N -0.18 0.30 -0.47 0.57 3.32 -1.42 -1.14 116.42 117.38 2fx2 h ASP 106 Ca 0.17 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.26 2fx2 h ASP 106 Cb 0.45 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 2fx2 h ASP 106 CO -0.45 0.22 0.25 0.00 -1.72 0.00 0.00 179.24 177.54 2fx2 h ALA 107 N 1.13 0.60 -0.50 3.45 0.00 -0.96 -2.36 119.26 120.62 2fx2 h ALA 107 Ca 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2fx2 h ALA 107 Cb -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2fx2 h ALA 107 CO -0.05 -0.08 0.17 0.82 0.00 0.00 0.00 179.25 180.11 2fx2 h ILE 108 N 0.51 1.22 -0.02 0.00 2.04 -1.17 -2.27 117.51 117.82 2fx2 h ILE 108 Ca 0.20 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2fx2 h ILE 108 Cb 0.07 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2fx2 h ILE 108 CO -0.12 0.27 0.01 -0.33 0.00 0.00 0.00 178.15 177.98 2fx2 h GLU 109 N 0.66 0.02 -0.52 2.37 5.08 -1.09 -1.39 114.58 119.72 2fx2 h GLU 109 Ca 0.16 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 2fx2 h GLU 109 Cb 0.24 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 2fx2 h GLU 109 CO -0.01 0.02 0.21 1.49 -1.00 0.00 0.00 179.01 179.72 2fx2 h GLU 110 N 0.02 0.40 -0.30 2.33 4.57 -1.40 0.11 114.58 120.31 2fx2 h GLU 110 Ca 0.01 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2fx2 h GLU 110 Cb 0.00 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2fx2 h GLU 110 CO -0.00 0.26 0.11 -0.22 -1.18 0.00 0.00 179.01 177.98 2fx2 h LYS 111 N 0.41 0.46 -0.38 1.92 1.63 -1.34 -2.62 116.57 116.65 2fx2 h LYS 111 Ca 0.25 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2fx2 h LYS 111 Cb 0.25 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 2fx2 h LYS 111 CO -0.23 0.49 0.25 -0.07 -3.45 0.00 0.00 179.45 176.43 2fx2 h LEU 112 N 0.33 0.45 -0.66 5.20 4.07 -0.82 -1.64 115.31 122.25 2fx2 h LEU 112 Ca 0.10 -0.03 0.08 0.00 0.08 0.00 0.00 57.88 58.11 2fx2 h LEU 112 Cb 0.21 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 41.77 2fx2 h LEU 112 CO -0.01 0.34 0.33 0.11 -1.08 0.00 0.00 178.44 178.14 2fx2 h LYS 113 N 0.51 0.57 0.00 1.13 1.57 -0.63 -2.33 116.57 117.40 2fx2 h LYS 113 Ca 0.14 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2fx2 h LYS 113 Cb -0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2fx2 h LYS 113 CO -0.03 0.38 -0.33 -0.91 -0.57 0.00 0.00 179.45 177.99 2fx2 h ASN 114 N 0.59 0.00 1.02 0.86 2.35 -1.08 -1.89 115.58 117.43 2fx2 h ASN 114 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2fx2 h ASN 114 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2fx2 h ASN 114 CO -0.24 0.33 -0.10 0.18 -1.65 0.00 0.00 177.43 175.95 2fx2 n LEU 115 N -4.06 0.27 0.00 1.61 4.77 -0.65 -4.96 117.00 113.98 2fx2 n LEU 115 Ca -0.02 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2fx2 n LEU 115 Cb 0.38 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2fx2 n LEU 115 CO 0.38 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2fx2 n GLY 116 N 1.45 0.64 3.81 -0.72 0.00 -0.71 -4.03 105.19 105.63 2fx2 n GLY 116 Ca 0.06 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 2fx2 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fx2 s ALA 117 N -2.00 2.42 -0.32 4.61 0.00 -0.91 -0.44 121.76 125.12 2fx2 s ALA 117 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 2fx2 s ALA 117 Cb 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.99 2fx2 s ALA 117 CO 0.00 -1.53 0.12 -2.00 0.00 0.00 0.00 175.76 172.35 2fx2 s GLU 118 N -5.09 3.01 -0.46 0.00 2.12 0.22 -4.70 118.70 113.81 2fx2 s GLU 118 Ca 0.60 -0.92 -0.26 0.00 0.36 0.00 0.00 54.97 54.75 2fx2 s GLU 118 Cb -0.14 -3.48 0.03 0.00 0.26 0.00 0.00 34.13 30.79 2fx2 s GLU 118 CO 0.55 -0.52 0.93 0.42 -0.54 0.00 0.00 175.26 176.10 2fx2 s ILE 119 N 1.51 4.47 -0.34 -3.70 1.01 -1.26 -0.41 121.20 122.48 2fx2 s ILE 119 Ca 0.02 0.79 0.20 0.00 0.00 0.00 0.00 60.65 61.67 2fx2 s ILE 119 Cb -0.18 -4.43 0.25 0.00 0.01 0.00 0.00 42.46 38.11 2fx2 s ILE 119 CO 0.04 -0.82 1.56 -0.37 0.00 0.00 0.00 174.94 175.35 2fx2 h VAL 120 N 6.07 0.28 -2.80 2.92 -1.51 -1.66 -3.47 116.25 116.08 2fx2 h VAL 120 Ca -0.24 -1.40 -0.08 0.00 -1.23 0.00 0.00 66.70 63.75 2fx2 h VAL 120 Cb 1.08 2.14 -0.18 0.00 -2.13 0.00 0.00 31.29 32.19 2fx2 h VAL 120 CO 1.03 0.16 -0.08 -1.58 -1.23 0.00 0.00 177.57 175.87 2fx2 s GLN 121 N -3.13 0.89 0.41 5.19 2.00 -1.26 -4.93 119.66 118.83 2fx2 s GLN 121 Ca 0.06 -0.18 -0.26 0.00 -2.00 0.00 0.00 55.36 52.98 2fx2 s GLN 121 Cb 0.06 0.40 -0.09 0.00 0.80 0.00 0.00 33.01 34.18 2fx2 s GLN 121 CO 0.69 -0.29 1.37 -0.51 -0.50 0.00 0.00 175.29 176.05 2fx2 s ASP 122 N -1.66 6.19 0.58 6.67 1.01 -1.26 -4.61 116.67 123.59 2fx2 s ASP 122 Ca -0.09 2.79 -0.19 0.00 0.71 0.00 0.00 52.55 55.78 2fx2 s ASP 122 Cb -0.02 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 2fx2 s ASP 122 CO 0.02 -0.95 1.21 -0.83 0.21 0.00 0.00 175.17 174.83 2fx2 s GLY 123 N -0.58 2.75 -0.30 0.21 0.00 -1.26 -4.85 107.32 103.29 2fx2 s GLY 123 Ca 0.57 1.01 -0.24 0.00 0.00 0.00 0.00 44.72 46.07 2fx2 s GLY 123 CO 0.53 1.41 0.81 -2.27 0.00 0.00 0.00 173.10 173.58 2fx2 s LEU 124 N -3.97 4.08 -0.31 0.66 2.96 -0.73 -4.98 118.68 116.39 2fx2 s LEU 124 Ca 0.76 0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 55.36 2fx2 s LEU 124 Cb -0.30 -3.11 0.06 0.00 0.50 0.00 0.00 46.19 43.34 2fx2 s LEU 124 CO 0.33 -0.62 0.00 -0.13 -1.32 0.00 0.00 176.35 174.61 2fx2 s ARG 125 N 2.99 2.33 -0.13 1.98 0.52 -1.26 -0.85 118.95 124.52 2fx2 s ARG 125 Ca 0.33 -1.35 -0.12 0.00 -0.52 0.00 0.00 55.73 54.07 2fx2 s ARG 125 Cb -0.14 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 2fx2 s ARG 125 CO 0.12 -0.66 0.26 0.42 0.02 0.00 0.00 175.30 175.46 2fx2 s ILE 126 N 1.21 5.32 -0.31 1.52 1.01 -0.66 -5.00 121.20 124.28 2fx2 s ILE 126 Ca -0.04 0.48 -0.10 0.00 0.00 0.00 0.00 60.65 61.00 2fx2 s ILE 126 Cb -0.20 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 2fx2 s ILE 126 CO -0.02 0.47 0.15 -0.62 0.00 0.00 0.00 174.94 174.92 2fx2 s ASP 127 N -0.08 5.54 0.00 3.58 2.15 -1.26 -0.89 116.67 125.71 2fx2 s ASP 127 Ca 0.16 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.61 2fx2 s ASP 127 Cb -0.13 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 2fx2 s ASP 127 CO 0.05 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 2fx2 n GLY 128 N 4.98 -1.80 3.67 2.66 0.00 -0.84 -4.87 105.19 108.99 2fx2 n GLY 128 Ca -0.14 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2fx2 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2fx2 s ASP 129 N -4.00 6.74 0.56 1.61 -1.08 -1.26 -4.78 116.67 114.46 2fx2 s ASP 129 Ca 0.00 2.17 0.34 0.00 -0.52 0.00 0.00 52.55 54.54 2fx2 s ASP 129 Cb 0.00 -2.55 1.52 0.00 -1.46 0.00 0.00 42.92 40.44 2fx2 s ASP 129 CO 0.00 -0.84 2.05 1.55 0.52 0.00 0.00 175.17 178.45 2fx2 h PRO 130 N 8.70 0.00 0.00 4.34 0.13 -1.89 -1.69 132.00 141.59 2fx2 h PRO 130 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2fx2 h PRO 130 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2fx2 h PRO 130 CO 0.94 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.75 2fx2 h ARG 131 N 0.00 0.00 -0.18 0.86 3.08 -1.94 0.16 114.38 116.35 2fx2 h ARG 131 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2fx2 h ARG 131 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2fx2 h ARG 131 CO 0.01 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 2fx2 n ALA 132 N -2.07 2.50 -1.70 0.04 0.00 -0.63 -4.00 120.51 114.65 2fx2 n ALA 132 Ca -0.01 -0.65 0.05 0.00 0.00 0.00 0.00 53.44 52.83 2fx2 n ALA 132 Cb 0.20 -1.01 0.09 0.00 0.00 0.00 0.00 19.45 18.73 2fx2 n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fx2 n ALA 133 N 0.73 2.49 -0.24 0.00 0.00 0.51 -4.86 120.51 119.14 2fx2 n ALA 133 Ca 0.17 -2.24 0.16 0.00 0.00 0.00 0.00 53.44 51.53 2fx2 n ALA 133 Cb 0.44 -0.47 0.47 0.00 0.00 0.00 0.00 19.45 19.89 2fx2 n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2fx2 h ARG 134 N 0.38 0.48 -0.40 0.00 2.43 -1.60 -2.12 114.38 113.54 2fx2 h ARG 134 Ca -0.04 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 2fx2 h ARG 134 Cb 1.27 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 2fx2 h ARG 134 CO 0.02 0.32 -0.32 -0.44 -1.51 0.00 0.00 179.97 178.04 2fx2 h ASP 135 N 0.49 0.95 -0.74 -3.80 3.32 -1.91 -1.23 116.42 113.51 2fx2 h ASP 135 Ca 0.45 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2fx2 h ASP 135 Cb 0.98 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 2fx2 h ASP 135 CO -0.18 1.18 0.31 0.44 -1.72 0.00 0.00 179.24 179.27 2fx2 h ASP 136 N 0.76 1.01 -0.01 6.45 3.32 -1.78 -1.33 116.42 124.84 2fx2 h ASP 136 Ca 0.08 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 2fx2 h ASP 136 Cb 0.89 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 2fx2 h ASP 136 CO 0.08 0.90 0.00 0.40 -1.72 0.00 0.00 179.24 178.90 2fx2 h ILE 137 N 1.06 1.24 -0.64 0.35 2.04 -1.06 -1.06 117.51 119.45 2fx2 h ILE 137 Ca 0.25 -0.72 0.07 0.00 1.00 0.00 0.00 64.86 65.46 2fx2 h ILE 137 Cb 0.19 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 2fx2 h ILE 137 CO -0.02 0.19 0.33 0.58 0.00 0.00 0.00 178.15 179.23 2fx2 h VAL 138 N -0.29 0.92 -0.01 1.67 2.07 -1.21 -1.93 116.25 117.48 2fx2 h VAL 138 Ca 0.00 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.33 2fx2 h VAL 138 Cb 0.31 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2fx2 h VAL 138 CO 0.00 0.11 -0.11 1.23 0.02 0.00 0.00 177.57 178.82 2fx2 h GLY 139 N 0.61 -0.13 0.99 2.17 0.00 -1.22 -2.67 103.07 102.82 2fx2 h GLY 139 Ca 0.29 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 2fx2 h GLY 139 CO -0.20 -0.12 0.32 -0.25 0.00 0.00 0.00 176.54 176.28 2fx2 h TRP 140 N -0.19 0.79 -0.72 5.60 7.01 -0.96 -2.07 115.95 125.40 2fx2 h TRP 140 Ca 0.04 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.09 2fx2 h TRP 140 Cb 0.25 -0.25 -0.05 0.00 -2.10 0.00 0.00 29.16 27.01 2fx2 h TRP 140 CO -0.18 0.57 0.48 0.00 -2.79 0.00 0.00 178.44 176.52 2fx2 h ALA 141 N 1.14 1.71 -0.04 2.65 0.00 -1.19 -0.06 119.26 123.47 2fx2 h ALA 141 Ca 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2fx2 h ALA 141 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2fx2 h ALA 141 CO -0.03 0.17 -0.09 0.45 0.00 0.00 0.00 179.25 179.75 2fx2 h HIS 142 N 0.75 0.17 -0.57 0.00 3.86 -1.38 -2.89 115.15 115.09 2fx2 h HIS 142 Ca 0.31 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.41 2fx2 h HIS 142 Cb 0.28 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 2fx2 h HIS 142 CO -0.00 0.67 0.15 -0.44 0.86 0.00 0.00 177.93 179.17 2fx2 h ASP 143 N -0.38 0.82 -0.66 2.45 3.32 -0.87 -2.97 116.42 118.12 2fx2 h ASP 143 Ca 0.00 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2fx2 h ASP 143 Cb 0.67 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2fx2 h ASP 143 CO 0.02 0.79 0.22 -0.37 -1.72 0.00 0.00 179.24 178.18 2fx2 h VAL 144 N 0.84 1.25 -0.27 -1.35 -1.51 -1.00 -3.15 116.25 111.06 2fx2 h VAL 144 Ca 0.19 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 2fx2 h VAL 144 Cb 0.29 0.55 -0.01 0.00 -2.13 0.00 0.00 31.29 29.99 2fx2 h VAL 144 CO -0.00 0.33 0.18 0.03 -1.23 0.00 0.00 177.57 176.87 2fx2 h ARG 145 N 0.96 0.36 0.00 5.19 3.08 -1.42 -1.47 114.38 121.07 2fx2 h ARG 145 Ca 0.21 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2fx2 h ARG 145 Cb 0.28 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2fx2 h ARG 145 CO -0.01 0.24 0.00 0.41 -1.07 0.00 0.00 179.97 179.54 2fx2 n GLY 146 N -1.16 -0.48 0.01 0.04 0.00 -1.13 -2.98 105.19 99.50 2fx2 n GLY 146 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2fx2 n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fx2 n ALA 147 N -0.76 2.20 1.06 4.61 0.00 -0.56 -5.06 120.51 122.01 2fx2 n ALA 147 Ca 0.06 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.49 2fx2 n ALA 147 Cb 0.03 -0.03 0.15 0.00 0.00 0.00 0.00 19.45 19.60 2fx2 n ALA 147 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94