#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4fx2 s LYS 3 N 0.00 2.08 0.06 0.00 1.02 -1.26 -1.49 119.74 120.14 4fx2 s LYS 3 Ca 0.00 -0.55 0.09 0.00 0.02 0.00 0.00 55.97 55.53 4fx2 s LYS 3 Cb 0.00 -1.66 -0.03 0.00 -0.52 0.00 0.00 37.83 35.62 4fx2 s LYS 3 CO 0.00 0.08 -0.26 0.00 -0.92 0.00 0.00 175.35 174.25 4fx2 s ALA 4 N 0.54 2.30 -0.18 5.17 0.00 -0.04 0.10 121.76 129.65 4fx2 s ALA 4 Ca -0.15 -1.29 -0.02 0.00 0.00 0.00 0.00 51.96 50.49 4fx2 s ALA 4 Cb -0.16 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 4fx2 s ALA 4 CO 0.05 0.54 -0.08 -1.17 0.00 0.00 0.00 175.76 175.10 4fx2 s LEU 5 N -1.38 2.82 -0.21 0.00 2.96 0.62 -0.37 118.68 123.13 4fx2 s LEU 5 Ca 0.12 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 4fx2 s LEU 5 Cb -0.10 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 4fx2 s LEU 5 CO 0.03 0.06 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.45 4fx2 s ILE 6 N 1.01 3.52 -0.13 6.68 1.01 0.75 0.19 121.20 134.22 4fx2 s ILE 6 Ca -0.00 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.22 4fx2 s ILE 6 Cb -0.15 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.74 4fx2 s ILE 6 CO -0.01 0.43 -0.22 -0.69 0.00 0.00 0.00 174.94 174.45 4fx2 s VAL 7 N 1.30 2.02 0.13 2.92 1.01 -0.91 0.62 120.40 127.50 4fx2 s VAL 7 Ca 0.04 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.12 4fx2 s VAL 7 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 4fx2 s VAL 7 CO -0.01 0.54 -0.16 -0.72 0.00 0.00 0.00 175.10 174.76 4fx2 s TYR 8 N 0.76 1.54 -0.26 5.22 -0.85 0.13 -0.77 117.35 123.12 4fx2 s TYR 8 Ca -0.09 -0.52 -0.01 0.00 -0.52 0.00 0.00 57.07 55.93 4fx2 s TYR 8 Cb -0.16 -0.80 0.08 0.00 0.38 0.00 0.00 41.96 41.47 4fx2 s TYR 8 CO -0.00 0.20 0.06 0.20 -1.52 0.00 0.00 175.55 174.48 4fx2 s GLY 9 N -2.50 0.99 -0.06 5.49 0.00 -0.11 0.13 107.32 111.25 4fx2 s GLY 9 Ca 0.11 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.52 4fx2 s GLY 9 CO 0.04 1.45 -0.07 -0.45 0.00 0.00 0.00 173.10 174.07 4fx2 s SER 10 N 1.66 1.47 -0.19 1.64 0.15 -1.26 -2.88 113.70 114.29 4fx2 s SER 10 Ca 0.04 -0.21 -0.21 0.00 0.70 0.00 0.00 55.95 56.28 4fx2 s SER 10 Cb -0.17 -0.63 -0.18 0.00 -1.71 0.00 0.00 66.02 63.33 4fx2 s SER 10 CO -0.17 -0.05 0.22 0.74 1.20 0.00 0.00 173.24 175.18 4fx2 h THR 11 N 6.11 0.88 -0.40 6.45 2.02 -1.98 -3.41 112.91 122.57 4fx2 h THR 11 Ca -0.32 -2.05 -0.06 0.00 0.77 0.00 0.00 66.41 64.74 4fx2 h THR 11 Cb 1.16 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 69.58 4fx2 h THR 11 CO 0.44 0.30 0.04 0.35 0.37 0.00 0.00 175.52 177.02 4fx2 n THR 12 N -4.47 2.51 -3.10 3.16 -2.24 -1.26 -4.99 114.28 103.88 4fx2 n THR 12 Ca -0.27 -1.90 -0.22 0.00 -2.27 0.00 0.00 64.05 59.39 4fx2 n THR 12 Cb 0.61 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.57 4fx2 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4fx2 n GLY 13 N -0.39 -0.51 0.10 3.38 0.00 -1.26 -4.97 105.19 101.54 4fx2 n GLY 13 Ca 0.27 0.11 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 4fx2 n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 4fx2 h ASN 14 N -1.20 0.15 0.74 1.61 -0.26 -1.94 -1.62 115.58 113.06 4fx2 h ASN 14 Ca -0.49 -0.80 -0.21 0.00 -0.56 0.00 0.00 56.30 54.24 4fx2 h ASN 14 Cb 1.34 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 38.53 4fx2 h ASN 14 CO 0.55 1.37 -0.95 0.74 -1.06 0.00 0.00 177.43 178.08 4fx2 h THR 15 N -0.74 1.57 -0.06 2.81 2.02 -1.93 -1.88 112.91 114.71 4fx2 h THR 15 Ca -0.21 -2.93 0.01 0.00 0.77 0.00 0.00 66.41 64.06 4fx2 h THR 15 Cb 1.38 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 70.42 4fx2 h THR 15 CO -0.03 0.85 -0.02 -0.08 0.37 0.00 0.00 175.52 176.60 4fx2 h GLU 16 N 0.06 -0.00 -0.42 6.66 4.81 -1.87 -1.06 114.58 122.76 4fx2 h GLU 16 Ca -0.04 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 4fx2 h GLU 16 Cb 1.63 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.98 4fx2 h GLU 16 CO 0.14 -0.00 0.21 -0.92 -0.73 0.00 0.00 179.01 177.71 4fx2 h TYR 17 N -0.00 0.39 -0.34 0.92 5.03 -1.03 -2.35 116.97 119.58 4fx2 h TYR 17 Ca 0.03 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.43 4fx2 h TYR 17 Cb 0.05 -0.11 -0.08 0.00 1.55 0.00 0.00 36.73 38.14 4fx2 h TYR 17 CO -0.12 0.20 -0.20 1.15 -1.32 0.00 0.00 178.16 177.87 4fx2 h THR 18 N 0.43 0.44 -0.80 1.81 2.02 -1.17 -2.66 112.91 112.98 4fx2 h THR 18 Ca 0.18 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.38 4fx2 h THR 18 Cb 0.08 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 4fx2 h THR 18 CO -0.12 0.00 0.52 0.00 0.37 0.00 0.00 175.52 176.29 4fx2 h ALA 19 N 1.06 1.03 -0.27 6.16 0.00 -0.86 -2.35 119.26 124.03 4fx2 h ALA 19 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 4fx2 h ALA 19 Cb 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 4fx2 h ALA 19 CO -0.43 0.38 0.05 0.93 0.00 0.00 0.00 179.25 180.19 4fx2 h GLU 20 N 1.05 0.44 0.40 0.00 5.08 -1.33 -0.74 114.58 119.47 4fx2 h GLU 20 Ca 0.31 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 4fx2 h GLU 20 Cb -0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 4fx2 h GLU 20 CO -0.09 0.55 -0.27 1.15 -1.00 0.00 0.00 179.01 179.35 4fx2 h THR 21 N 0.26 0.45 -0.09 1.13 2.02 -1.28 -1.89 112.91 113.50 4fx2 h THR 21 Ca 0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.30 4fx2 h THR 21 Cb 0.31 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 4fx2 h THR 21 CO 0.00 0.00 -0.14 0.40 0.37 0.00 0.00 175.52 176.15 4fx2 h ILE 22 N -0.64 0.63 -0.40 3.11 2.04 -1.36 -2.84 117.51 118.05 4fx2 h ILE 22 Ca -0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 4fx2 h ILE 22 Cb 0.54 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 4fx2 h ILE 22 CO 0.03 0.00 0.07 0.00 0.00 0.00 0.00 178.15 178.24 4fx2 h ALA 23 N 0.85 0.42 -0.27 1.87 0.00 -1.06 -1.78 119.26 119.29 4fx2 h ALA 23 Ca 0.08 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.12 4fx2 h ALA 23 Cb 0.30 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 4fx2 h ALA 23 CO -0.21 -0.34 -0.02 -0.09 0.00 0.00 0.00 179.25 178.60 4fx2 h ARG 24 N 0.19 0.05 -0.04 0.00 9.65 -1.21 0.24 114.38 123.27 4fx2 h ARG 24 Ca 0.20 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.08 4fx2 h ARG 24 Cb 0.24 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 4fx2 h ARG 24 CO -0.27 0.04 -0.18 0.93 2.80 0.00 0.00 179.97 183.29 4fx2 h GLU 25 N 0.06 -0.19 -0.25 0.20 4.39 -1.34 -0.91 114.58 116.53 4fx2 h GLU 25 Ca 0.13 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.89 4fx2 h GLU 25 Cb 0.18 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 4fx2 h GLU 25 CO -0.23 -0.13 -0.10 -0.07 -1.16 0.00 0.00 179.01 177.32 4fx2 h LEU 26 N -0.20 -0.34 -0.77 1.33 3.38 -1.10 -2.76 115.31 114.84 4fx2 h LEU 26 Ca 0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 4fx2 h LEU 26 Cb 0.23 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 4fx2 h LEU 26 CO -0.14 -0.13 0.39 0.00 0.09 0.00 0.00 178.44 178.65 4fx2 h ALA 27 N 1.16 1.00 -0.02 1.53 0.00 -0.34 -1.48 119.26 121.10 4fx2 h ALA 27 Ca 0.13 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 4fx2 h ALA 27 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 4fx2 h ALA 27 CO -0.29 0.54 -0.24 -0.44 0.00 0.00 0.00 179.25 178.82 4fx2 h ASP 28 N 1.08 0.03 0.61 0.00 3.32 -1.17 -2.25 116.42 118.04 4fx2 h ASP 28 Ca 0.27 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.31 4fx2 h ASP 28 Cb 0.09 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.63 4fx2 h ASP 28 CO -0.04 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 4fx2 n ALA 29 N -2.49 2.23 -0.08 3.45 0.00 -0.64 -4.91 120.51 118.06 4fx2 n ALA 29 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 4fx2 n ALA 29 Cb 0.31 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.35 4fx2 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4fx2 n GLY 30 N 0.94 0.63 3.76 0.00 0.00 -0.84 -5.09 105.19 104.59 4fx2 n GLY 30 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 4fx2 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4fx2 s TYR 31 N -2.12 2.56 -0.14 1.61 1.51 -0.71 -4.76 117.35 115.30 4fx2 s TYR 31 Ca 0.00 1.55 -0.20 0.00 -1.01 0.00 0.00 57.07 57.41 4fx2 s TYR 31 Cb 0.00 -3.29 -0.04 0.00 -0.11 0.00 0.00 41.96 38.53 4fx2 s TYR 31 CO 0.00 -1.80 0.55 -1.21 -1.11 0.00 0.00 175.55 171.98 4fx2 s GLU 32 N -3.66 4.31 -0.21 -0.62 2.02 -0.56 -4.37 118.70 115.62 4fx2 s GLU 32 Ca 0.71 0.54 0.00 0.00 0.02 0.00 0.00 54.97 56.25 4fx2 s GLU 32 Cb -0.24 -3.48 0.02 0.00 0.10 0.00 0.00 34.13 30.53 4fx2 s GLU 32 CO 0.35 0.03 -0.15 0.08 0.02 0.00 0.00 175.26 175.59 4fx2 s VAL 33 N 1.03 2.35 -0.24 2.63 1.01 -1.26 -0.86 120.40 125.07 4fx2 s VAL 33 Ca 0.28 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 4fx2 s VAL 33 Cb -0.16 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 4fx2 s VAL 33 CO 0.12 0.40 0.04 -0.62 0.00 0.00 0.00 175.10 175.03 4fx2 s ASP 34 N 1.29 4.91 -0.18 3.32 -1.08 0.50 -4.98 116.67 120.45 4fx2 s ASP 34 Ca 0.02 -0.25 -0.03 0.00 -0.52 0.00 0.00 52.55 51.77 4fx2 s ASP 34 Cb -0.15 -1.87 -0.02 0.00 -1.46 0.00 0.00 42.92 39.43 4fx2 s ASP 34 CO -0.09 -0.02 -0.05 -0.44 0.52 0.00 0.00 175.17 175.08 4fx2 s SER 35 N 1.51 4.46 -0.01 -0.34 0.01 -1.26 -0.18 113.70 117.90 4fx2 s SER 35 Ca 0.06 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 57.06 4fx2 s SER 35 Cb -0.15 -1.74 -0.00 0.00 0.21 0.00 0.00 66.02 64.34 4fx2 s SER 35 CO 0.02 0.08 -0.08 -0.13 0.41 0.00 0.00 173.24 173.54 4fx2 s ARG 36 N 0.89 0.73 0.17 12.44 0.52 0.20 -4.95 118.95 128.95 4fx2 s ARG 36 Ca -0.01 -0.27 -0.31 0.00 -0.52 0.00 0.00 55.73 54.62 4fx2 s ARG 36 Cb -0.15 -0.70 -0.09 0.00 0.52 0.00 0.00 34.95 34.53 4fx2 s ARG 36 CO 0.01 0.14 1.39 0.34 0.02 0.00 0.00 175.30 177.20 4fx2 s ASP 37 N -0.01 6.80 0.26 0.23 -1.08 -1.26 -0.69 116.67 120.92 4fx2 s ASP 37 Ca 0.00 2.43 -0.04 0.00 -0.52 0.00 0.00 52.55 54.42 4fx2 s ASP 37 Cb -0.05 -2.60 0.33 0.00 -1.46 0.00 0.00 42.92 39.14 4fx2 s ASP 37 CO -0.00 -0.64 1.92 0.00 0.52 0.00 0.00 175.17 176.97 4fx2 h ALA 38 N 6.09 1.33 -1.06 3.66 0.00 0.70 -2.95 119.26 127.04 4fx2 h ALA 38 Ca -0.44 -0.05 0.38 0.00 0.00 0.00 0.00 54.91 54.80 4fx2 h ALA 38 Cb 1.21 -0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 4fx2 h ALA 38 CO 0.83 0.59 0.66 0.00 0.00 0.00 0.00 179.25 181.33 4fx2 n ALA 39 N -2.38 1.05 0.58 0.00 0.00 -1.26 -1.30 120.51 117.21 4fx2 n ALA 39 Ca 0.13 0.73 0.07 0.00 0.00 0.00 0.00 53.44 54.36 4fx2 n ALA 39 Cb 0.07 -0.85 0.03 0.00 0.00 0.00 0.00 19.45 18.69 4fx2 n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 4fx2 n SER 40 N -4.41 1.77 -4.82 0.00 7.64 -1.12 -5.00 113.62 107.67 4fx2 n SER 40 Ca 0.32 -1.38 -0.31 0.00 1.01 0.00 0.00 58.87 58.51 4fx2 n SER 40 Cb 1.23 0.25 0.04 0.00 -1.01 0.00 0.00 64.21 64.71 4fx2 n SER 40 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 4fx2 s VAL 41 N -1.41 4.07 -0.18 0.44 1.01 -0.42 -5.05 120.40 118.86 4fx2 s VAL 41 Ca 0.13 0.72 -0.00 0.00 0.00 0.00 0.00 61.98 62.83 4fx2 s VAL 41 Cb 0.11 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 33.06 4fx2 s VAL 41 CO 0.26 -0.83 -0.16 -1.61 0.00 0.00 0.00 175.10 172.76 4fx2 s GLU 42 N -4.89 3.12 0.23 2.72 2.02 -1.26 -5.00 118.70 115.63 4fx2 s GLU 42 Ca 0.59 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.76 4fx2 s GLU 42 Cb -0.14 -2.66 0.22 0.00 0.10 0.00 0.00 34.13 31.65 4fx2 s GLU 42 CO 0.52 -0.15 1.66 0.00 0.02 0.00 0.00 175.26 177.31 4fx2 h ALA 43 N 7.81 0.93 -2.53 5.21 0.00 -1.94 -3.40 119.26 125.34 4fx2 h ALA 43 Ca -0.41 -0.34 -0.53 0.00 0.00 0.00 0.00 54.91 53.62 4fx2 h ALA 43 Cb 1.16 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.80 4fx2 h ALA 43 CO 0.61 0.62 0.63 0.20 0.00 0.00 0.00 179.25 181.30 4fx2 s GLY 44 N -3.82 2.27 -1.12 0.00 0.00 -1.26 -3.07 107.32 100.34 4fx2 s GLY 44 Ca -0.09 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.60 4fx2 s GLY 44 CO 0.83 2.14 0.00 0.61 0.00 0.00 0.00 173.10 176.68 4fx2 n GLY 45 N 3.18 0.59 0.33 0.20 0.00 0.11 -4.88 105.19 104.72 4fx2 n GLY 45 Ca 0.09 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.27 4fx2 n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 4fx2 h LEU 46 N 0.00 0.00 -0.56 0.99 5.85 -1.36 -2.55 115.31 117.68 4fx2 h LEU 46 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 4fx2 h LEU 46 Cb 0.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 4fx2 h LEU 46 CO 0.33 0.00 -0.35 0.49 -0.34 0.00 0.00 178.44 178.57 4fx2 n PHE 47 N -3.93 0.00 -2.33 1.25 3.72 -1.15 -4.97 117.46 110.06 4fx2 n PHE 47 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 4fx2 n PHE 47 Cb 0.28 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 4fx2 n PHE 47 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 4fx2 s GLU 48 N -2.55 4.37 0.00 -1.08 2.02 -0.96 -3.07 118.70 117.43 4fx2 s GLU 48 Ca 0.22 1.87 0.00 0.00 0.02 0.00 0.00 54.97 57.07 4fx2 s GLU 48 Cb 0.19 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 31.03 4fx2 s GLU 48 CO 0.56 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.87 4fx2 n GLY 49 N 3.38 0.76 3.18 -1.39 0.00 -1.26 -5.06 105.19 104.80 4fx2 n GLY 49 Ca 0.10 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 4fx2 n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4fx2 s PHE 50 N -2.00 1.47 -0.13 1.61 0.08 -1.17 -4.95 117.98 112.88 4fx2 s PHE 50 Ca 0.00 -0.34 0.22 0.00 0.12 0.00 0.00 56.93 56.93 4fx2 s PHE 50 Cb 0.00 -0.89 -0.18 0.00 -0.57 0.00 0.00 43.02 41.38 4fx2 s PHE 50 CO 0.00 0.04 0.73 -0.25 -0.10 0.00 0.00 175.22 175.64 4fx2 n ASP 51 N 2.05 0.41 -3.73 1.36 8.00 0.28 -4.89 116.55 120.02 4fx2 n ASP 51 Ca -0.17 0.16 -0.12 0.00 0.71 0.00 0.00 54.79 55.37 4fx2 n ASP 51 Cb 0.54 1.21 -0.12 0.00 -0.02 0.00 0.00 41.12 42.73 4fx2 n ASP 51 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 4fx2 s LEU 52 N -4.98 0.46 -0.24 0.64 2.96 -1.09 -4.52 118.68 111.92 4fx2 s LEU 52 Ca -0.05 0.60 0.02 0.00 -0.22 0.00 0.00 54.13 54.49 4fx2 s LEU 52 Cb 0.12 0.91 0.05 0.00 0.50 0.00 0.00 46.19 47.76 4fx2 s LEU 52 CO 0.85 -0.15 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.92 4fx2 s VAL 53 N 0.99 2.05 -0.22 1.68 1.01 -0.45 -0.28 120.40 125.18 4fx2 s VAL 53 Ca -0.07 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 60.40 4fx2 s VAL 53 Cb -0.08 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 4fx2 s VAL 53 CO -0.07 0.09 0.13 -0.76 0.00 0.00 0.00 175.10 174.49 4fx2 s LEU 54 N 1.19 4.06 -0.12 3.92 1.43 0.13 -2.12 118.68 127.16 4fx2 s LEU 54 Ca -0.05 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 4fx2 s LEU 54 Cb -0.18 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 43.98 4fx2 s LEU 54 CO -0.07 0.12 -0.20 -0.76 0.23 0.00 0.00 176.35 175.67 4fx2 s LEU 55 N 0.73 1.97 -0.02 1.79 1.43 -0.33 -2.13 118.68 122.12 4fx2 s LEU 55 Ca 0.07 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 4fx2 s LEU 55 Cb -0.13 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 4fx2 s LEU 55 CO 0.02 0.07 -0.24 -0.83 0.23 0.00 0.00 176.35 175.60 4fx2 s GLY 56 N 0.77 1.16 -0.23 -3.19 0.00 0.05 -1.39 107.32 104.49 4fx2 s GLY 56 Ca -0.10 -1.02 -0.14 0.00 0.00 0.00 0.00 44.72 43.46 4fx2 s GLY 56 CO 0.01 -0.85 0.56 0.00 0.00 0.00 0.00 173.10 172.82 4fx2 s SER 58 N 1.31 6.61 -0.14 0.00 1.04 -1.14 -4.09 113.70 117.29 4fx2 s SER 58 Ca -0.08 1.90 -0.14 0.00 0.48 0.00 0.00 55.95 58.11 4fx2 s SER 58 Cb -0.06 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 4fx2 s SER 58 CO -0.13 -0.59 0.31 -0.89 0.98 0.00 0.00 173.24 172.92 4fx2 s THR 59 N -1.93 5.28 0.39 2.02 2.01 -1.19 -2.23 115.64 120.00 4fx2 s THR 59 Ca 0.63 0.59 0.04 0.00 0.31 0.00 0.00 61.69 63.26 4fx2 s THR 59 Cb -0.16 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 4fx2 s THR 59 CO 0.20 0.41 0.12 0.26 -0.69 0.00 0.00 174.62 174.92 4fx2 s TRP 60 N 0.32 1.80 0.00 4.92 0.52 -0.68 -4.88 118.94 120.94 4fx2 s TRP 60 Ca 0.18 -1.23 0.00 0.00 0.02 0.00 0.00 56.10 55.07 4fx2 s TRP 60 Cb -0.13 -1.16 0.00 0.00 -1.15 0.00 0.00 33.47 31.03 4fx2 s TRP 60 CO 0.05 -0.25 0.00 0.41 0.02 0.00 0.00 176.95 177.18 4fx2 n GLY 61 N -0.84 2.08 0.80 0.98 0.00 -1.26 -2.22 105.19 104.73 4fx2 n GLY 61 Ca -0.05 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 44.02 4fx2 n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 4fx2 n ASP 62 N 0.00 0.80 -0.75 1.61 -0.08 -1.26 -4.78 116.55 112.09 4fx2 n ASP 62 Ca 0.00 0.11 0.09 0.00 -1.51 0.00 0.00 54.79 53.48 4fx2 n ASP 62 Cb 0.00 -0.31 0.09 0.00 2.34 0.00 0.00 41.12 43.24 4fx2 n ASP 62 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 4fx2 n ASP 63 N -3.25 2.59 -4.33 1.67 5.68 -1.26 -4.53 116.55 113.13 4fx2 n ASP 63 Ca -0.02 -1.78 -0.22 0.00 -0.50 0.00 0.00 54.79 52.27 4fx2 n ASP 63 Cb 0.07 -0.02 -0.11 0.00 -1.14 0.00 0.00 41.12 39.92 4fx2 n ASP 63 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 4fx2 s SER 64 N -1.50 2.68 -0.34 -1.12 0.15 -1.26 -5.08 113.70 107.23 4fx2 s SER 64 Ca 0.22 -0.83 -0.14 0.00 0.70 0.00 0.00 55.95 55.90 4fx2 s SER 64 Cb 0.16 -0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.30 4fx2 s SER 64 CO 0.23 -0.01 0.31 -0.63 1.20 0.00 0.00 173.24 174.34 4fx2 s ILE 65 N -1.86 5.21 0.22 6.45 1.01 -1.26 -4.41 121.20 126.56 4fx2 s ILE 65 Ca 0.14 -0.08 0.11 0.00 0.00 0.00 0.00 60.65 60.83 4fx2 s ILE 65 Cb -0.07 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 4fx2 s ILE 65 CO 0.06 -0.07 -0.19 -1.61 0.00 0.00 0.00 174.94 173.13 4fx2 s GLU 66 N 1.90 1.69 0.23 2.79 2.02 -0.94 -5.01 118.70 121.38 4fx2 s GLU 66 Ca 0.09 -1.54 -0.05 0.00 0.02 0.00 0.00 54.97 53.49 4fx2 s GLU 66 Cb -0.17 -1.90 -0.05 0.00 0.10 0.00 0.00 34.13 32.11 4fx2 s GLU 66 CO 0.11 0.39 0.48 -0.51 0.02 0.00 0.00 175.26 175.75 4fx2 s LEU 67 N -2.97 4.15 0.26 1.80 1.02 -1.26 -1.69 118.68 119.99 4fx2 s LEU 67 Ca 0.24 0.66 -0.29 0.00 0.02 0.00 0.00 54.13 54.76 4fx2 s LEU 67 Cb -0.07 -3.44 -0.14 0.00 0.02 0.00 0.00 46.19 42.56 4fx2 s LEU 67 CO 0.13 -0.09 1.06 1.67 0.02 0.00 0.00 176.35 179.14 4fx2 n GLN 68 N -0.54 1.33 -0.13 1.70 0.00 -0.95 -4.80 117.38 113.99 4fx2 n GLN 68 Ca -0.02 0.47 -0.04 0.00 -0.00 0.00 0.00 57.00 57.40 4fx2 n GLN 68 Cb 0.53 -1.88 0.04 0.00 0.00 0.00 0.00 30.24 28.93 4fx2 n GLN 68 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 4fx2 h ASP 69 N 2.45 0.11 -0.53 1.69 3.58 -1.94 -2.30 116.42 119.49 4fx2 h ASP 69 Ca -0.41 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 4fx2 h ASP 69 Cb 1.34 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.42 4fx2 h ASP 69 CO 0.64 0.10 0.30 0.44 -2.88 0.00 0.00 179.24 177.83 4fx2 h ASP 70 N 0.29 0.67 -0.13 2.28 3.32 -1.93 -3.19 116.42 117.72 4fx2 h ASP 70 Ca 0.21 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 4fx2 h ASP 70 Cb 0.22 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 4fx2 h ASP 70 CO -0.23 0.55 -0.35 0.15 -1.72 0.00 0.00 179.24 177.63 4fx2 h PHE 71 N 0.76 0.76 -0.69 4.55 3.57 -1.74 -3.36 116.94 120.79 4fx2 h PHE 71 Ca 0.20 -0.21 0.08 0.00 3.53 0.00 0.00 57.97 61.56 4fx2 h PHE 71 Cb 0.03 -0.17 -0.09 0.00 2.79 0.00 0.00 35.95 38.51 4fx2 h PHE 71 CO 0.00 0.91 -0.36 -0.89 -2.23 0.00 0.00 178.31 175.74 4fx2 n ILE 72 N -4.06 -0.43 -0.16 1.41 5.41 -1.20 -1.22 119.36 119.12 4fx2 n ILE 72 Ca -0.01 1.65 0.05 0.00 1.00 0.00 0.00 62.75 65.43 4fx2 n ILE 72 Cb 0.50 -2.07 0.34 0.00 -0.71 0.00 0.00 39.64 37.69 4fx2 n ILE 72 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 4fx2 h PRO 73 N 0.00 0.76 -0.03 0.38 0.11 -1.81 0.28 132.00 131.68 4fx2 h PRO 73 Ca 0.15 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 4fx2 h PRO 73 Cb 0.32 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 4fx2 h PRO 73 CO -0.66 0.50 -0.04 1.25 -0.21 0.00 0.00 178.00 178.84 4fx2 h LEU 74 N 0.78 0.09 -0.65 2.35 5.85 -1.72 -2.79 115.31 119.22 4fx2 h LEU 74 Ca 0.27 -0.55 0.12 0.00 0.84 0.00 0.00 57.88 58.57 4fx2 h LEU 74 Cb 0.12 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 4fx2 h LEU 74 CO -0.08 0.62 0.19 0.15 -0.34 0.00 0.00 178.44 178.97 4fx2 h PHE 75 N -0.44 0.31 -0.55 1.25 3.57 -0.37 -0.51 116.94 120.19 4fx2 h PHE 75 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 4fx2 h PHE 75 Cb 0.60 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 4fx2 h PHE 75 CO 0.11 0.01 0.32 -0.44 -2.23 0.00 0.00 178.31 176.08 4fx2 h ASP 76 N 0.32 0.66 -0.90 0.41 3.32 -0.50 -3.20 116.42 116.54 4fx2 h ASP 76 Ca 0.34 -0.04 -0.47 0.00 0.02 0.00 0.00 57.03 56.88 4fx2 h ASP 76 Cb 0.51 -0.17 -0.28 0.00 0.22 0.00 0.00 39.33 39.61 4fx2 h ASP 76 CO -0.40 0.52 0.54 -1.20 -1.72 0.00 0.00 179.24 176.99 4fx2 n SER 77 N -4.41 3.72 0.19 6.45 7.64 -0.30 -4.62 113.62 122.28 4fx2 n SER 77 Ca 0.05 -3.65 0.14 0.00 1.01 0.00 0.00 58.87 56.42 4fx2 n SER 77 Cb 0.08 -0.81 0.51 0.00 -1.01 0.00 0.00 64.21 62.98 4fx2 n SER 77 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 4fx2 h LEU 78 N 1.05 0.00 0.00 -3.43 5.85 -1.28 -0.69 115.31 116.81 4fx2 h LEU 78 Ca 0.57 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.29 4fx2 h LEU 78 Cb 2.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.62 4fx2 h LEU 78 CO 1.02 0.00 -0.05 -1.84 -0.34 0.00 0.00 178.44 177.22 4fx2 n GLU 79 N -2.65 0.03 0.00 1.25 0.28 -1.26 -3.37 120.64 114.92 4fx2 n GLU 79 Ca 0.02 0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.17 4fx2 n GLU 79 Cb 0.32 -1.54 0.29 0.00 1.43 0.00 0.00 31.44 31.95 4fx2 n GLU 79 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 4fx2 n GLU 80 N -1.59 0.30 0.48 3.44 1.02 -0.27 -4.56 120.64 119.46 4fx2 n GLU 80 Ca 0.07 -0.18 -0.19 0.00 -0.02 0.00 0.00 57.16 56.84 4fx2 n GLU 80 Cb 0.35 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 4fx2 n GLU 80 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 4fx2 h THR 81 N 0.43 0.00 0.00 2.62 1.35 -1.56 0.31 112.91 116.06 4fx2 h THR 81 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 4fx2 h THR 81 Cb 0.50 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 4fx2 h THR 81 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 4fx2 n GLY 82 N -1.41 0.64 0.45 5.82 0.00 -1.26 -2.19 105.19 107.23 4fx2 n GLY 82 Ca -0.15 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.22 4fx2 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4fx2 n ALA 83 N 0.00 2.71 -1.88 4.61 0.00 -1.26 -4.71 120.51 119.98 4fx2 n ALA 83 Ca 0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 4fx2 n ALA 83 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 4fx2 n ALA 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 4fx2 s GLN 84 N -2.13 4.17 0.00 0.00 2.00 -1.25 -1.39 119.66 121.05 4fx2 s GLN 84 Ca 0.34 2.36 0.00 0.00 -2.00 0.00 0.00 55.36 56.05 4fx2 s GLN 84 Cb 0.20 -4.05 0.00 0.00 0.80 0.00 0.00 33.01 29.97 4fx2 s GLN 84 CO 0.38 -0.89 0.00 0.41 -0.50 0.00 0.00 175.29 174.70 4fx2 n GLY 85 N 4.29 2.06 3.77 2.59 0.00 0.48 -4.84 105.19 113.54 4fx2 n GLY 85 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 4fx2 n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 4fx2 s ARG 86 N 0.00 4.17 -0.45 1.61 6.06 -1.17 -4.43 118.95 124.74 4fx2 s ARG 86 Ca 0.00 2.43 -0.21 0.00 -2.50 0.00 0.00 55.73 55.45 4fx2 s ARG 86 Cb 0.00 -2.98 0.03 0.00 0.06 0.00 0.00 34.95 32.05 4fx2 s ARG 86 CO 0.00 -0.42 0.65 0.15 -2.50 0.00 0.00 175.30 173.18 4fx2 s LYS 87 N -2.01 3.27 0.07 5.12 1.02 -1.25 0.48 119.74 126.43 4fx2 s LYS 87 Ca 0.52 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 56.12 4fx2 s LYS 87 Cb -0.44 -3.96 -0.04 0.00 -0.52 0.00 0.00 37.83 32.87 4fx2 s LYS 87 CO 0.59 -1.04 -0.06 0.14 -0.92 0.00 0.00 175.35 174.06 4fx2 s VAL 88 N 2.85 0.51 0.02 3.17 -7.23 -0.87 -1.34 120.40 117.50 4fx2 s VAL 88 Ca 0.22 -1.65 -0.19 0.00 -1.81 0.00 0.00 61.98 58.55 4fx2 s VAL 88 Cb -0.14 -1.32 0.04 0.00 0.56 0.00 0.00 36.38 35.52 4fx2 s VAL 88 CO 0.19 -0.77 0.43 0.00 -0.31 0.00 0.00 175.10 174.63 4fx2 s ALA 89 N -3.06 -1.06 0.13 1.32 0.00 -0.90 -0.60 121.76 117.58 4fx2 s ALA 89 Ca 0.04 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.52 4fx2 s ALA 89 Cb 0.02 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 4fx2 s ALA 89 CO -0.05 -0.40 -0.18 0.00 0.00 0.00 0.00 175.76 175.13 4fx2 s PHE 91 N -1.72 0.33 0.00 0.00 -0.71 -0.48 -1.10 117.98 114.30 4fx2 s PHE 91 Ca 0.10 -0.74 0.00 0.00 -1.04 0.00 0.00 56.93 55.24 4fx2 s PHE 91 Cb -0.07 -0.13 0.00 0.00 -1.21 0.00 0.00 43.02 41.61 4fx2 s PHE 91 CO 0.05 -0.58 0.00 0.41 -1.34 0.00 0.00 175.22 173.76 4fx2 n GLY 92 N -0.09 0.84 3.65 1.99 0.00 -0.42 -1.50 105.19 109.65 4fx2 n GLY 92 Ca -0.12 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 4fx2 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4fx2 n GLY 94 N 1.12 3.82 3.53 0.00 0.00 0.58 -3.14 105.19 111.09 4fx2 n GLY 94 Ca -0.13 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 4fx2 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 4fx2 s ASP 95 N 1.79 -0.86 0.53 1.61 -1.08 -1.26 -1.92 116.67 115.48 4fx2 s ASP 95 Ca 0.00 1.39 0.35 0.00 -0.52 0.00 0.00 52.55 53.77 4fx2 s ASP 95 Cb 0.00 1.95 1.82 0.00 -1.46 0.00 0.00 42.92 45.23 4fx2 s ASP 95 CO 0.00 -0.22 2.08 0.77 0.52 0.00 0.00 175.17 178.31 4fx2 h SER 96 N 7.99 0.00 0.16 -0.34 4.64 -1.93 -2.70 113.55 121.36 4fx2 h SER 96 Ca -0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 4fx2 h SER 96 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 4fx2 h SER 96 CO 0.11 0.00 -0.05 0.77 -0.87 0.00 0.00 176.83 176.79 4fx2 h SER 97 N 0.00 0.00 -4.32 4.97 4.64 -2.01 -3.44 113.55 113.39 4fx2 h SER 97 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 4fx2 h SER 97 Cb 0.12 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.28 4fx2 h SER 97 CO 0.00 0.05 0.40 -0.31 -0.87 0.00 0.00 176.83 176.09 4fx2 s TYR 98 N -4.42 3.40 0.05 4.77 2.02 -1.02 -5.02 117.35 117.13 4fx2 s TYR 98 Ca -0.04 1.37 -0.19 0.00 -0.37 0.00 0.00 57.07 57.84 4fx2 s TYR 98 Cb 0.14 -2.80 -0.15 0.00 -0.40 0.00 0.00 41.96 38.76 4fx2 s TYR 98 CO 0.55 -0.86 1.31 1.49 -1.57 0.00 0.00 175.55 176.47 4fx2 h GLU 99 N -0.27 0.46 -3.44 -0.62 4.81 -1.85 -3.33 114.58 110.35 4fx2 h GLU 99 Ca -0.44 -0.29 -0.72 0.00 -0.13 0.00 0.00 59.36 57.78 4fx2 h GLU 99 Cb 1.20 0.03 -0.34 0.00 0.63 0.00 0.00 28.75 30.27 4fx2 h GLU 99 CO 0.60 0.89 -0.12 0.71 -0.73 0.00 0.00 179.01 180.36 4fx2 s TYR 100 N -4.07 3.77 0.19 0.92 2.02 -1.26 -5.07 117.35 113.85 4fx2 s TYR 100 Ca -0.13 -2.84 -0.33 0.00 -0.37 0.00 0.00 57.07 53.40 4fx2 s TYR 100 Cb 0.06 -3.32 -0.15 0.00 -0.40 0.00 0.00 41.96 38.15 4fx2 s TYR 100 CO 0.79 -0.80 1.30 0.34 -1.57 0.00 0.00 175.55 175.61 4fx2 n PHE 101 N 2.81 1.71 -3.82 2.71 7.35 -1.25 -2.70 117.46 124.26 4fx2 n PHE 101 Ca 0.17 0.55 -0.23 0.00 -0.76 0.00 0.00 57.45 57.18 4fx2 n PHE 101 Cb 0.38 -2.37 -0.07 0.00 0.35 0.00 0.00 39.48 37.78 4fx2 n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 4fx2 n GLY 103 N -2.12 -1.49 0.20 0.00 0.00 -1.10 -2.14 105.19 98.54 4fx2 n GLY 103 Ca -0.23 0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.88 4fx2 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4fx2 h ALA 104 N 2.43 1.05 0.33 4.61 0.00 -1.87 -2.57 119.26 123.23 4fx2 h ALA 104 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 4fx2 h ALA 104 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 4fx2 h ALA 104 CO 0.00 0.41 -0.16 0.28 0.00 0.00 0.00 179.25 179.78 4fx2 h VAL 105 N 0.00 0.58 -0.83 0.00 2.07 -1.69 -2.77 116.25 113.60 4fx2 h VAL 105 Ca -0.00 -0.68 0.19 0.00 0.82 0.00 0.00 66.70 67.03 4fx2 h VAL 105 Cb 0.81 0.88 -0.11 0.00 -1.52 0.00 0.00 31.29 31.34 4fx2 h VAL 105 CO 0.04 0.11 0.33 0.44 0.02 0.00 0.00 177.57 178.51 4fx2 h ASP 106 N -0.87 0.25 0.69 0.57 5.19 -1.58 -2.77 116.42 117.90 4fx2 h ASP 106 Ca -0.05 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 4fx2 h ASP 106 Cb 0.53 0.13 0.01 0.00 0.18 0.00 0.00 39.33 40.18 4fx2 h ASP 106 CO 0.07 0.02 -0.33 0.00 -3.12 0.00 0.00 179.24 175.89 4fx2 h ALA 107 N 1.65 -1.13 -0.92 3.45 0.00 -1.39 -2.14 119.26 118.79 4fx2 h ALA 107 Ca 0.49 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.40 4fx2 h ALA 107 Cb 0.87 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 4fx2 h ALA 107 CO -0.49 -1.06 0.60 0.82 0.00 0.00 0.00 179.25 179.12 4fx2 h ILE 108 N -1.01 0.68 0.51 0.00 2.04 -1.46 -1.89 117.51 116.38 4fx2 h ILE 108 Ca -0.09 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 4fx2 h ILE 108 Cb 0.71 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.99 4fx2 h ILE 108 CO 0.15 0.08 -0.25 -0.33 0.00 0.00 0.00 178.15 177.81 4fx2 h GLU 109 N 0.44 -0.66 -0.77 2.37 5.08 -1.54 -0.02 114.58 119.48 4fx2 h GLU 109 Ca 0.48 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 59.05 4fx2 h GLU 109 Cb 1.15 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.45 4fx2 h GLU 109 CO -0.20 -0.44 0.28 1.49 -1.00 0.00 0.00 179.01 179.14 4fx2 h GLU 110 N -0.81 0.38 -0.08 2.33 4.57 -1.29 0.36 114.58 120.04 4fx2 h GLU 110 Ca -0.07 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 4fx2 h GLU 110 Cb 0.53 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 4fx2 h GLU 110 CO 0.12 0.25 0.02 -0.22 -1.18 0.00 0.00 179.01 177.99 4fx2 h LYS 111 N 0.39 0.14 -0.03 1.92 1.63 -1.29 -1.50 116.57 117.83 4fx2 h LYS 111 Ca 0.44 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.24 4fx2 h LYS 111 Cb 0.71 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.28 4fx2 h LYS 111 CO -0.45 0.34 -0.22 -0.07 -3.45 0.00 0.00 179.45 175.60 4fx2 h LEU 112 N -0.09 -0.65 -0.68 5.20 3.38 0.08 -2.21 115.31 120.33 4fx2 h LEU 112 Ca 0.03 0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.22 4fx2 h LEU 112 Cb 0.27 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.20 4fx2 h LEU 112 CO 0.00 -0.28 0.19 0.50 0.09 0.00 0.00 178.44 178.94 4fx2 h LYS 113 N -0.33 0.31 0.00 1.13 3.64 0.07 -1.96 116.57 119.42 4fx2 h LYS 113 Ca 0.07 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 4fx2 h LYS 113 Cb 0.43 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 4fx2 h LYS 113 CO -0.22 0.20 -0.36 -0.91 -2.27 0.00 0.00 179.45 175.89 4fx2 h ASN 114 N 0.32 0.00 1.12 4.20 2.35 -0.97 -2.80 115.58 119.79 4fx2 h ASN 114 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 4fx2 h ASN 114 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 4fx2 h ASN 114 CO -0.43 0.36 0.00 0.18 -1.65 0.00 0.00 177.43 175.89 4fx2 n LEU 115 N -3.56 0.59 0.00 1.61 4.77 -0.77 -4.96 117.00 114.68 4fx2 n LEU 115 Ca -0.00 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 4fx2 n LEU 115 Cb 0.49 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 4fx2 n LEU 115 CO 0.36 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 4fx2 n GLY 116 N 0.86 0.92 3.74 -0.72 0.00 -1.04 -3.88 105.19 105.08 4fx2 n GLY 116 Ca 0.05 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 4fx2 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4fx2 s ALA 117 N -2.00 2.22 -0.26 4.61 0.00 -0.49 -0.38 121.76 125.46 4fx2 s ALA 117 Ca 0.00 0.65 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 4fx2 s ALA 117 Cb 0.00 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 4fx2 s ALA 117 CO 0.00 -1.70 0.16 -1.21 0.00 0.00 0.00 175.76 173.01 4fx2 s GLU 118 N -4.16 3.92 -0.95 0.00 2.02 1.76 -4.72 118.70 116.58 4fx2 s GLU 118 Ca 0.69 -0.34 -0.23 0.00 0.02 0.00 0.00 54.97 55.11 4fx2 s GLU 118 Cb -0.24 -3.56 0.06 0.00 0.10 0.00 0.00 34.13 30.50 4fx2 s GLU 118 CO 0.46 -0.11 1.35 0.42 0.02 0.00 0.00 175.26 177.40 4fx2 s ILE 119 N 1.54 4.04 0.33 -1.63 1.01 -1.26 -2.05 121.20 123.17 4fx2 s ILE 119 Ca 0.07 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 60.09 4fx2 s ILE 119 Cb -0.15 -4.98 0.08 0.00 0.01 0.00 0.00 42.46 37.42 4fx2 s ILE 119 CO 0.08 -1.84 1.77 -0.37 0.00 0.00 0.00 174.94 174.58 4fx2 h VAL 120 N 6.50 1.27 -2.83 2.92 -1.51 -1.22 -3.44 116.25 117.94 4fx2 h VAL 120 Ca 0.10 -1.29 -0.12 0.00 -1.23 0.00 0.00 66.70 64.17 4fx2 h VAL 120 Cb 1.02 1.54 -0.23 0.00 -2.13 0.00 0.00 31.29 31.49 4fx2 h VAL 120 CO 1.35 0.39 -0.24 -1.58 -1.23 0.00 0.00 177.57 176.25 4fx2 s GLN 121 N -4.32 0.55 0.67 5.19 2.00 -1.26 -4.95 119.66 117.53 4fx2 s GLN 121 Ca -0.05 0.31 -0.16 0.00 -2.00 0.00 0.00 55.36 53.46 4fx2 s GLN 121 Cb 0.14 0.26 0.00 0.00 0.80 0.00 0.00 33.01 34.21 4fx2 s GLN 121 CO 0.76 -0.11 1.19 -0.51 -0.50 0.00 0.00 175.29 176.12 4fx2 s ASP 122 N -0.33 4.74 0.40 6.67 1.01 -1.26 -4.48 116.67 123.42 4fx2 s ASP 122 Ca -0.05 2.30 -0.26 0.00 0.71 0.00 0.00 52.55 55.25 4fx2 s ASP 122 Cb -0.03 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 4fx2 s ASP 122 CO 0.02 -1.89 1.36 -0.83 0.21 0.00 0.00 175.17 174.03 4fx2 s GLY 123 N -1.98 2.94 -0.13 0.21 0.00 -1.25 -4.88 107.32 102.23 4fx2 s GLY 123 Ca 0.74 1.34 -0.28 0.00 0.00 0.00 0.00 44.72 46.51 4fx2 s GLY 123 CO 0.40 1.95 0.96 -2.27 0.00 0.00 0.00 173.10 174.14 4fx2 s LEU 124 N -2.37 4.22 -0.50 0.66 2.96 -0.25 -4.98 118.68 118.41 4fx2 s LEU 124 Ca 0.56 1.43 0.01 0.00 -0.22 0.00 0.00 54.13 55.91 4fx2 s LEU 124 Cb -0.41 -3.47 0.13 0.00 0.50 0.00 0.00 46.19 42.95 4fx2 s LEU 124 CO 0.53 -0.44 0.27 -0.13 -1.32 0.00 0.00 176.35 175.25 4fx2 s ARG 125 N 2.10 2.05 -0.13 1.98 0.52 -1.26 -1.30 118.95 122.91 4fx2 s ARG 125 Ca 0.45 -2.38 -0.29 0.00 -0.52 0.00 0.00 55.73 52.99 4fx2 s ARG 125 Cb -0.18 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 4fx2 s ARG 125 CO 0.16 -1.09 0.99 0.42 0.02 0.00 0.00 175.30 175.80 4fx2 s ILE 126 N 0.13 4.78 -0.50 1.52 1.01 -0.54 -4.97 121.20 122.62 4fx2 s ILE 126 Ca 0.15 2.00 -0.16 0.00 0.00 0.00 0.00 60.65 62.64 4fx2 s ILE 126 Cb -0.23 -4.30 0.10 0.00 0.01 0.00 0.00 42.46 38.05 4fx2 s ILE 126 CO -0.03 -0.01 0.45 -0.62 0.00 0.00 0.00 174.94 174.73 4fx2 s ASP 127 N 1.11 6.17 0.00 3.58 2.15 -1.26 -0.31 116.67 128.11 4fx2 s ASP 127 Ca 0.47 -1.53 0.00 0.00 0.43 0.00 0.00 52.55 51.92 4fx2 s ASP 127 Cb -0.18 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 4fx2 s ASP 127 CO 0.16 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 175.02 4fx2 n GLY 128 N 5.22 0.11 3.65 2.66 0.00 -0.81 -4.93 105.19 111.10 4fx2 n GLY 128 Ca -0.13 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.22 4fx2 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 4fx2 s ASP 129 N -4.00 6.91 0.57 1.61 -1.08 -1.26 -4.72 116.67 114.71 4fx2 s ASP 129 Ca 0.00 1.48 0.27 0.00 -0.52 0.00 0.00 52.55 53.78 4fx2 s ASP 129 Cb 0.00 -2.54 1.60 0.00 -1.46 0.00 0.00 42.92 40.52 4fx2 s ASP 129 CO 0.00 -0.82 2.11 1.55 0.52 0.00 0.00 175.17 178.53 4fx2 h PRO 130 N 8.30 0.00 0.00 4.34 0.13 -1.92 -1.73 132.00 141.12 4fx2 h PRO 130 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 4fx2 h PRO 130 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 4fx2 h PRO 130 CO 0.99 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.76 4fx2 h ARG 131 N 0.00 0.00 -0.47 0.86 3.08 -1.93 -0.57 114.38 115.35 4fx2 h ARG 131 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 4fx2 h ARG 131 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 4fx2 h ARG 131 CO -0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 4fx2 n ALA 132 N -2.06 2.27 -0.41 0.04 0.00 -0.65 -4.12 120.51 115.58 4fx2 n ALA 132 Ca -0.02 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.20 4fx2 n ALA 132 Cb 0.12 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.97 4fx2 n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4fx2 n ALA 133 N 0.86 1.58 -0.29 0.00 0.00 -0.28 -4.88 120.51 117.50 4fx2 n ALA 133 Ca 0.16 -0.75 0.06 0.00 0.00 0.00 0.00 53.44 52.91 4fx2 n ALA 133 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.08 4fx2 n ALA 133 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 4fx2 n ARG 134 N -0.27 -0.07 -0.11 0.00 0.63 -0.82 0.12 116.66 116.13 4fx2 n ARG 134 Ca 0.00 1.25 -0.09 0.00 -0.92 0.00 0.00 57.85 58.09 4fx2 n ARG 134 Cb 0.33 -1.89 0.05 0.00 0.45 0.00 0.00 32.46 31.40 4fx2 n ARG 134 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 4fx2 h ASP 135 N 0.00 0.88 -0.90 6.15 3.32 -1.89 -3.01 116.42 120.97 4fx2 h ASP 135 Ca 0.40 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 4fx2 h ASP 135 Cb 0.64 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 4fx2 h ASP 135 CO -0.82 1.08 0.54 0.44 -1.72 0.00 0.00 179.24 178.75 4fx2 h ASP 136 N 0.74 1.08 0.12 6.45 3.32 0.49 -2.84 116.42 125.78 4fx2 h ASP 136 Ca 0.10 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 4fx2 h ASP 136 Cb 0.78 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.06 4fx2 h ASP 136 CO 0.06 0.83 -0.06 0.40 -1.72 0.00 0.00 179.24 178.76 4fx2 h ILE 137 N 1.24 0.97 -0.56 0.35 2.04 -1.41 -2.06 117.51 118.08 4fx2 h ILE 137 Ca 0.32 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.92 4fx2 h ILE 137 Cb -0.05 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 4fx2 h ILE 137 CO -0.06 0.08 0.30 0.58 0.00 0.00 0.00 178.15 179.04 4fx2 h VAL 138 N -0.30 0.96 -0.14 1.67 2.07 -1.60 -1.59 116.25 117.33 4fx2 h VAL 138 Ca -0.02 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 4fx2 h VAL 138 Cb 0.24 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 4fx2 h VAL 138 CO 0.03 0.10 -0.03 1.23 0.02 0.00 0.00 177.57 178.92 4fx2 h GLY 139 N 0.56 0.28 1.00 2.17 0.00 -1.58 -2.62 103.07 102.87 4fx2 h GLY 139 Ca 0.25 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.36 4fx2 h GLY 139 CO -0.16 0.21 0.60 -0.25 0.00 0.00 0.00 176.54 176.93 4fx2 h TRP 140 N -0.04 1.13 -0.87 5.60 7.01 -0.88 -0.35 115.95 127.55 4fx2 h TRP 140 Ca 0.04 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.13 4fx2 h TRP 140 Cb 0.44 -0.38 -0.06 0.00 -2.10 0.00 0.00 29.16 27.06 4fx2 h TRP 140 CO 0.05 0.71 0.57 0.00 -2.79 0.00 0.00 178.44 176.97 4fx2 h ALA 141 N 1.33 1.55 0.07 2.65 0.00 -1.23 0.10 119.26 123.74 4fx2 h ALA 141 Ca 0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 4fx2 h ALA 141 Cb -0.13 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.41 4fx2 h ALA 141 CO -0.07 0.31 -0.04 1.25 0.00 0.00 0.00 179.25 180.70 4fx2 h HIS 142 N 0.97 -0.09 -0.49 0.00 -0.00 -1.26 -1.82 115.15 112.46 4fx2 h HIS 142 Ca 0.37 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.67 4fx2 h HIS 142 Cb 0.21 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 4fx2 h HIS 142 CO -0.00 0.22 0.01 -0.44 -0.00 0.00 0.00 177.93 177.72 4fx2 h ASP 143 N -0.41 0.77 -0.16 3.26 3.32 -0.62 -2.72 116.42 119.86 4fx2 h ASP 143 Ca -0.01 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.86 4fx2 h ASP 143 Cb 0.35 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 4fx2 h ASP 143 CO 0.02 0.84 0.09 0.58 -1.72 0.00 0.00 179.24 179.04 4fx2 h VAL 144 N 0.75 1.02 -0.50 -1.35 2.07 -0.65 -3.24 116.25 114.35 4fx2 h VAL 144 Ca 0.15 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.63 4fx2 h VAL 144 Cb 0.45 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 4fx2 h VAL 144 CO 0.02 0.03 0.30 0.03 0.02 0.00 0.00 177.57 177.97 4fx2 h ARG 145 N 0.18 0.58 -0.84 1.57 3.08 -1.30 -3.16 114.38 114.48 4fx2 h ARG 145 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 4fx2 h ARG 145 Cb -0.00 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.92 4fx2 h ARG 145 CO -0.03 0.38 0.00 0.41 -1.07 0.00 0.00 179.97 179.66 4fx2 n GLY 146 N -1.24 1.26 0.00 0.04 0.00 -1.03 -2.36 105.19 101.86 4fx2 n GLY 146 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 4fx2 n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4fx2 n ALA 147 N 0.10 0.74 1.74 4.61 0.00 -1.19 -5.04 120.51 121.47 4fx2 n ALA 147 Ca 0.00 -0.21 0.15 0.00 0.00 0.00 0.00 53.44 53.38 4fx2 n ALA 147 Cb 0.22 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.40 4fx2 n ALA 147 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94