#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7n s SER 7 N 0.00 6.16 -0.32 -3.46 1.04 -1.26 -5.03 113.70 110.82 3d7n s SER 7 Ca 0.00 2.16 -0.07 0.00 0.48 0.00 0.00 55.95 58.52 3d7n s SER 7 Cb 0.00 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.55 3d7n s SER 7 CO 0.00 -0.92 0.11 0.21 0.98 0.00 0.00 173.24 173.62 3d7n s ASN 8 N -1.62 5.30 -0.10 7.02 2.47 -1.26 -5.02 114.94 121.74 3d7n s ASN 8 Ca 0.66 -0.85 -0.01 0.00 0.42 0.00 0.00 52.86 53.07 3d7n s ASN 8 Cb -0.24 -1.91 -0.03 0.00 -1.45 0.00 0.00 41.25 37.62 3d7n s ASN 8 CO 0.29 -0.26 -0.04 -0.89 -3.72 0.00 0.00 177.10 172.48 3d7n s THR 9 N 1.49 3.97 -0.11 -5.21 2.01 -1.26 -0.13 115.64 116.40 3d7n s THR 9 Ca 0.01 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.67 3d7n s THR 9 Cb -0.18 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 3d7n s THR 9 CO 0.03 0.58 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.67 3d7n s VAL 10 N -0.55 2.60 -0.32 3.82 1.01 -0.18 -2.44 120.40 124.34 3d7n s VAL 10 Ca 0.09 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 3d7n s VAL 10 Cb -0.12 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3d7n s VAL 10 CO 0.02 0.54 0.24 -0.69 0.00 0.00 0.00 175.10 175.22 3d7n s VAL 11 N 0.26 5.28 -0.19 2.92 1.01 0.40 -1.12 120.40 128.96 3d7n s VAL 11 Ca -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 3d7n s VAL 11 Cb -0.16 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3d7n s VAL 11 CO 0.07 0.07 -0.12 0.54 0.00 0.00 0.00 175.10 175.66 3d7n s VAL 12 N 1.78 2.81 0.05 2.92 0.11 -0.57 0.08 120.40 127.59 3d7n s VAL 12 Ca 0.07 -0.70 -0.12 0.00 -2.93 0.00 0.00 61.98 58.31 3d7n s VAL 12 Cb -0.17 -2.23 0.01 0.00 -1.53 0.00 0.00 36.38 32.47 3d7n s VAL 12 CO 0.11 0.49 0.26 -0.72 -3.33 0.00 0.00 175.10 171.90 3d7n s TYR 13 N 1.17 -0.03 -0.08 1.54 -0.85 -0.60 -1.06 117.35 117.44 3d7n s TYR 13 Ca 0.02 -0.18 0.02 0.00 -0.52 0.00 0.00 57.07 56.41 3d7n s TYR 13 Cb -0.14 0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.22 3d7n s TYR 13 CO -0.04 -0.50 -0.14 -1.58 -1.52 0.00 0.00 175.55 171.76 3d7n s HIS 14 N -2.79 2.73 -0.19 -3.49 5.65 -0.35 -0.39 115.29 116.45 3d7n s HIS 14 Ca -0.03 -0.36 0.01 0.00 0.25 0.00 0.00 55.06 54.93 3d7n s HIS 14 Cb -0.00 -1.70 0.03 0.00 -1.18 0.00 0.00 32.58 29.73 3d7n s HIS 14 CO -0.05 0.03 -0.15 -1.54 -0.65 0.00 0.00 174.74 172.37 3d7n s SER 15 N -0.32 3.36 -0.37 9.88 1.04 -1.26 -3.99 113.70 122.03 3d7n s SER 15 Ca 0.03 -0.81 -0.18 0.00 0.48 0.00 0.00 55.95 55.47 3d7n s SER 15 Cb -0.13 -1.39 0.00 0.00 0.10 0.00 0.00 66.02 64.61 3d7n s SER 15 CO 0.02 -0.08 0.49 -0.83 0.98 0.00 0.00 173.24 173.83 3d7n s GLY 16 N 1.31 1.83 0.00 7.32 0.00 -1.26 -4.37 107.32 112.16 3d7n s GLY 16 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.58 3d7n s GLY 16 CO -0.10 1.23 0.00 -1.72 0.00 0.00 0.00 173.10 172.51 3d7n n TYR 17 N 5.71 0.00 -0.27 1.90 4.01 -1.26 -4.53 117.16 122.72 3d7n n TYR 17 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3d7n n TYR 17 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 3d7n n TYR 17 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d7n n GLY 18 N -2.00 0.68 0.20 2.72 0.00 -1.26 -4.96 105.19 100.57 3d7n n GLY 18 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3d7n n GLY 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3d7n h HIS 19 N 0.00 1.06 0.00 1.61 3.86 -1.90 -2.98 115.15 116.80 3d7n h HIS 19 Ca 0.00 -0.56 0.00 0.00 -1.16 0.00 0.00 60.37 58.65 3d7n h HIS 19 Cb 0.00 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3d7n h HIS 19 CO 0.00 1.39 0.00 0.00 0.86 0.00 0.00 177.93 180.18 3d7n h THR 20 N 0.42 0.00 -0.47 2.45 1.03 -1.86 -3.05 112.91 111.43 3d7n h THR 20 Ca -0.12 -0.56 -0.07 0.00 -0.01 0.00 0.00 66.41 65.66 3d7n h THR 20 Cb 1.65 1.55 -0.02 0.00 -1.07 0.00 0.00 68.15 70.26 3d7n h THR 20 CO 0.20 0.00 0.03 -0.74 -0.01 0.00 0.00 175.52 175.00 3d7n h HIS 21 N 0.00 0.87 0.00 0.00 6.17 -1.83 -1.57 115.15 118.80 3d7n h HIS 21 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 60.37 60.94 3d7n h HIS 21 Cb 0.56 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.26 3d7n h HIS 21 CO 0.00 0.83 0.00 -2.13 0.71 0.00 0.00 177.93 177.34 3d7n n ARG 22 N -4.39 0.33 0.00 5.26 3.00 -1.13 -1.60 116.66 118.13 3d7n n ARG 22 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 3d7n n ARG 22 Cb 0.28 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.46 3d7n n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3d7n n ALA 24 N 0.69 0.00 -0.24 5.13 0.00 -0.59 -1.76 120.51 123.73 3d7n n ALA 24 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3d7n n ALA 24 Cb 0.14 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.73 3d7n n ALA 24 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3d7n h GLU 25 N 0.00 0.58 -0.40 0.00 5.08 -1.57 0.34 114.58 118.61 3d7n h GLU 25 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3d7n h GLU 25 Cb 0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3d7n h GLU 25 CO 0.00 0.38 0.26 0.00 -1.00 0.00 0.00 179.01 178.65 3d7n h ALA 26 N 1.43 0.50 -0.22 3.43 0.00 -1.62 0.72 119.26 123.50 3d7n h ALA 26 Ca 0.35 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3d7n h ALA 26 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3d7n h ALA 26 CO -0.27 -0.04 -0.01 0.28 0.00 0.00 0.00 179.25 179.21 3d7n h VAL 27 N 0.53 1.26 -0.52 0.00 2.07 -1.63 -2.05 116.25 115.91 3d7n h VAL 27 Ca 0.14 -0.90 0.10 0.00 0.82 0.00 0.00 66.70 66.86 3d7n h VAL 27 Cb -0.06 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 3d7n h VAL 27 CO -0.03 0.28 0.06 0.00 0.02 0.00 0.00 177.57 177.90 3d7n h ALA 28 N 0.79 0.55 -0.42 1.67 0.00 -0.16 -0.96 119.26 120.73 3d7n h ALA 28 Ca 0.06 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.17 3d7n h ALA 28 Cb 0.41 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3d7n h ALA 28 CO 0.01 -0.34 0.04 1.49 0.00 0.00 0.00 179.25 180.45 3d7n h GLU 29 N 0.19 0.15 -0.47 0.00 4.81 -0.72 0.42 114.58 118.95 3d7n h GLU 29 Ca 0.26 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 3d7n h GLU 29 Cb 0.38 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3d7n h GLU 29 CO -0.38 0.10 0.11 0.78 -0.73 0.00 0.00 179.01 178.89 3d7n h GLY 30 N 0.15 0.81 0.82 1.92 0.00 -0.68 -2.93 103.07 103.17 3d7n h GLY 30 Ca 0.21 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3d7n h GLY 30 CO -0.31 0.48 -0.10 0.00 0.00 0.00 0.00 176.54 176.61 3d7n n ALA 31 N -2.37 2.75 -4.00 3.60 0.00 -0.43 -2.77 120.51 117.29 3d7n n ALA 31 Ca 0.01 -0.27 -0.34 0.00 0.00 0.00 0.00 53.44 52.83 3d7n n ALA 31 Cb 0.22 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 3d7n n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d7n n GLU 32 N -0.89 -1.43 -3.29 0.00 1.02 0.12 -4.73 120.64 111.44 3d7n n GLU 32 Ca 0.15 0.26 -0.22 0.00 -0.02 0.00 0.00 57.16 57.33 3d7n n GLU 32 Cb 0.27 -3.65 -0.00 0.00 -0.02 0.00 0.00 31.44 28.04 3d7n n GLU 32 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d7n s ALA 33 N -3.80 3.90 0.31 0.62 0.00 0.41 -4.74 121.76 118.45 3d7n s ALA 33 Ca 0.26 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 3d7n s ALA 33 Cb -0.12 -1.96 -0.06 0.00 0.00 0.00 0.00 23.12 20.98 3d7n s ALA 33 CO 0.93 -0.16 0.61 0.95 0.00 0.00 0.00 175.76 178.09 3d7n s THR 34 N -2.35 4.95 -0.10 0.00 -4.23 -1.02 -4.81 115.64 108.08 3d7n s THR 34 Ca 0.44 0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 61.22 3d7n s THR 34 Cb -0.10 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 3d7n s THR 34 CO 0.35 -0.32 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.29 3d7n s LEU 35 N -3.48 3.18 -0.04 4.79 1.43 -1.26 -0.45 118.68 122.86 3d7n s LEU 35 Ca 0.46 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.50 3d7n s LEU 35 Cb -0.11 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.42 3d7n s LEU 35 CO 0.28 0.29 0.01 -1.00 0.23 0.00 0.00 176.35 176.16 3d7n s HIS 36 N -0.37 0.31 -0.22 0.29 3.76 0.11 -4.96 115.29 114.22 3d7n s HIS 36 Ca 0.05 0.02 -0.07 0.00 -0.15 0.00 0.00 55.06 54.91 3d7n s HIS 36 Cb -0.12 -0.46 -0.03 0.00 1.11 0.00 0.00 32.58 33.07 3d7n s HIS 36 CO 0.02 -0.16 0.06 0.00 -0.85 0.00 0.00 174.74 173.81 3d7n s ALA 37 N 1.28 3.24 0.00 -1.40 0.00 -1.26 -1.56 121.76 122.07 3d7n s ALA 37 Ca -0.06 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 3d7n s ALA 37 Cb -0.13 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 3d7n s ALA 37 CO -0.02 -0.17 1.30 0.42 0.00 0.00 0.00 175.76 177.29 3d7n s ILE 38 N 1.03 3.90 1.07 0.00 1.01 0.47 -4.71 121.20 123.98 3d7n s ILE 38 Ca 0.04 1.29 -0.18 0.00 0.00 0.00 0.00 60.65 61.81 3d7n s ILE 38 Cb -0.14 -3.83 0.24 0.00 0.01 0.00 0.00 42.46 38.74 3d7n s ILE 38 CO 0.03 0.02 1.25 1.51 0.00 0.00 0.00 174.94 177.75 3d7n s ASP 39 N 1.56 2.14 0.40 3.58 1.47 0.50 -4.57 116.67 121.74 3d7n s ASP 39 Ca 0.61 0.35 0.27 0.00 1.18 0.00 0.00 52.55 54.96 3d7n s ASP 39 Cb -0.29 -0.43 1.43 0.00 -0.34 0.00 0.00 42.92 43.29 3d7n s ASP 39 CO 0.26 -3.35 1.83 0.00 0.68 0.00 0.00 175.17 174.59 3d7n h ALA 40 N -2.06 1.00 -0.51 2.11 0.00 -1.93 -0.72 119.26 117.15 3d7n h ALA 40 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3d7n h ALA 40 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3d7n h ALA 40 CO 0.34 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.98 3d7n n GLU 41 N -2.46 2.57 -2.08 0.00 1.02 -1.26 -4.93 120.64 113.50 3d7n n GLU 41 Ca -0.01 -2.39 -0.02 0.00 -0.02 0.00 0.00 57.16 54.72 3d7n n GLU 41 Cb 0.07 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 29.99 3d7n n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d7n n GLY 42 N 1.44 0.32 3.43 0.62 0.00 -0.28 -4.97 105.19 105.75 3d7n n GLY 42 Ca 0.20 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 3d7n n GLY 42 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d7n s ASN 43 N -2.91 3.75 -0.01 1.61 0.02 -1.26 -3.99 114.94 112.16 3d7n s ASN 43 Ca 0.00 -0.31 0.08 0.00 -1.02 0.00 0.00 52.86 51.61 3d7n s ASN 43 Cb -0.00 -0.67 -0.02 0.00 0.02 0.00 0.00 41.25 40.57 3d7n s ASN 43 CO 0.01 0.32 -0.24 -0.22 0.02 0.00 0.00 177.10 176.98 3d7n s LEU 44 N -0.88 2.19 1.01 0.60 2.96 -1.26 -0.37 118.68 122.93 3d7n s LEU 44 Ca 0.12 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 3d7n s LEU 44 Cb -0.10 -1.37 0.20 0.00 0.50 0.00 0.00 46.19 45.42 3d7n s LEU 44 CO 0.01 0.31 1.08 -0.94 -1.32 0.00 0.00 176.35 175.49 3d7n s SER 45 N -0.81 2.44 0.36 3.68 1.04 -1.26 -4.84 113.70 114.32 3d7n s SER 45 Ca 0.11 1.27 0.19 0.00 0.48 0.00 0.00 55.95 58.00 3d7n s SER 45 Cb -0.10 -1.95 0.56 0.00 0.10 0.00 0.00 66.02 64.63 3d7n s SER 45 CO 0.00 -3.25 1.67 -0.33 0.98 0.00 0.00 173.24 172.31 3d7n h GLU 46 N -1.98 0.00 -0.47 4.02 3.07 -2.00 -1.11 114.58 116.11 3d7n h GLU 46 Ca -0.55 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.29 3d7n h GLU 46 Cb 1.33 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.21 3d7n h GLU 46 CO 0.56 0.37 0.23 -0.44 -1.40 0.00 0.00 179.01 178.33 3d7n h ASP 47 N 0.00 0.62 -0.01 1.42 5.19 -1.99 -1.38 116.42 120.28 3d7n h ASP 47 Ca -0.00 -0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.30 3d7n h ASP 47 Cb 1.01 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.33 3d7n h ASP 47 CO 0.05 0.58 -0.12 1.23 -3.12 0.00 0.00 179.24 177.85 3d7n h GLY 48 N 0.62 -0.14 0.99 2.75 0.00 -1.56 -1.47 103.07 104.26 3d7n h GLY 48 Ca 0.16 0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 3d7n h GLY 48 CO -0.02 -0.13 0.22 1.49 0.00 0.00 0.00 176.54 178.10 3d7n h TRP 49 N -0.20 0.89 -0.47 5.60 4.06 -1.33 -0.24 115.95 124.26 3d7n h TRP 49 Ca 0.05 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.93 3d7n h TRP 49 Cb 0.26 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 3d7n h TRP 49 CO -0.19 0.73 0.31 0.00 -3.56 0.00 0.00 178.44 175.73 3d7n h ALA 50 N 1.07 0.59 -0.66 1.49 0.00 -1.24 -1.36 119.26 119.15 3d7n h ALA 50 Ca 0.19 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3d7n h ALA 50 Cb 0.22 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3d7n h ALA 50 CO -0.01 0.05 0.39 0.00 0.00 0.00 0.00 179.25 179.67 3d7n h ALA 51 N 1.17 0.87 0.11 0.00 0.00 -0.70 -1.48 119.26 119.22 3d7n h ALA 51 Ca 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3d7n h ALA 51 Cb -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3d7n h ALA 51 CO -0.04 0.11 -0.05 -0.07 0.00 0.00 0.00 179.25 179.20 3d7n h LEU 52 N 0.74 -0.12 -2.11 0.00 -0.00 -0.74 -1.02 115.31 112.06 3d7n h LEU 52 Ca 0.28 -0.09 0.08 0.00 -0.00 0.00 0.00 57.88 58.16 3d7n h LEU 52 Cb 0.10 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 3d7n h LEU 52 CO -0.14 0.01 0.30 0.44 -0.00 0.00 0.00 178.44 179.05 3d7n h ASP 53 N -0.25 0.00 0.00 -0.43 3.32 -1.06 -2.47 116.42 115.53 3d7n h ASP 53 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3d7n h ASP 53 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3d7n h ASP 53 CO 0.02 0.00 -0.23 0.00 -1.72 0.00 0.00 179.24 177.31 3d7n n ALA 54 N -2.36 3.01 -1.78 3.45 0.00 -0.58 -4.97 120.51 117.29 3d7n n ALA 54 Ca 0.04 -0.62 -0.37 0.00 0.00 0.00 0.00 53.44 52.49 3d7n n ALA 54 Cb 0.45 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 3d7n n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d7n s ALA 55 N -2.26 3.18 -0.12 0.00 0.00 -0.47 -4.94 121.76 117.15 3d7n s ALA 55 Ca 0.24 0.62 0.18 0.00 0.00 0.00 0.00 51.96 53.00 3d7n s ALA 55 Cb 0.19 -3.23 0.29 0.00 0.00 0.00 0.00 23.12 20.37 3d7n s ALA 55 CO 0.44 -0.00 1.55 -0.44 0.00 0.00 0.00 175.76 177.31 3d7n h ASP 56 N 2.95 0.00 -3.75 0.00 3.32 -0.86 -3.47 116.42 114.61 3d7n h ASP 56 Ca -0.47 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.39 3d7n h ASP 56 Cb 1.20 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.48 3d7n h ASP 56 CO 0.64 0.39 -0.53 0.00 -1.72 0.00 0.00 179.24 178.01 3d7n s ALA 57 N -3.15 -0.39 -0.14 3.45 0.00 -1.02 -2.24 121.76 118.26 3d7n s ALA 57 Ca 0.03 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.49 3d7n s ALA 57 Cb 0.08 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.93 3d7n s ALA 57 CO 0.71 -0.09 -0.14 0.42 0.00 0.00 0.00 175.76 176.66 3d7n s ILE 58 N 0.19 1.56 -0.20 0.00 1.01 -0.23 -1.02 121.20 122.51 3d7n s ILE 58 Ca -0.01 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 3d7n s ILE 58 Cb -0.02 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.99 3d7n s ILE 58 CO -0.00 0.46 -0.10 -0.63 0.00 0.00 0.00 174.94 174.67 3d7n s ILE 59 N 1.38 2.95 -0.06 2.92 1.01 -0.27 -2.11 121.20 127.02 3d7n s ILE 59 Ca 0.03 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.83 3d7n s ILE 59 Cb -0.13 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 3d7n s ILE 59 CO -0.09 0.46 0.58 -0.36 0.00 0.00 0.00 174.94 175.54 3d7n s PHE 60 N 1.35 3.60 -0.10 3.97 0.08 -0.52 -1.52 117.98 124.85 3d7n s PHE 60 Ca 0.04 1.11 0.03 0.00 0.12 0.00 0.00 56.93 58.24 3d7n s PHE 60 Cb -0.14 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 39.68 3d7n s PHE 60 CO -0.06 0.23 -0.21 0.20 -0.10 0.00 0.00 175.22 175.29 3d7n s GLY 61 N 0.30 1.20 -0.07 4.36 0.00 -0.23 -0.94 107.32 111.95 3d7n s GLY 61 Ca 0.31 -0.84 -0.22 0.00 0.00 0.00 0.00 44.72 43.96 3d7n s GLY 61 CO 0.15 -0.18 0.51 -1.08 0.00 0.00 0.00 173.10 172.50 3d7n s THR 62 N 0.48 0.02 0.88 0.90 -1.32 -0.95 -1.22 115.64 114.44 3d7n s THR 62 Ca -0.17 -0.18 -0.11 0.00 -1.21 0.00 0.00 61.69 60.03 3d7n s THR 62 Cb -0.17 -0.81 0.13 0.00 -1.51 0.00 0.00 72.50 70.14 3d7n s THR 62 CO 0.07 -0.10 1.15 -2.84 -2.21 0.00 0.00 174.62 170.69 3d7n s PRO 63 N -0.93 1.24 -0.21 7.08 0.02 -1.26 -3.63 135.00 137.31 3d7n s PRO 63 Ca -0.10 1.56 -0.05 0.00 0.02 0.00 0.00 61.00 62.43 3d7n s PRO 63 Cb -0.03 -1.75 -0.02 0.00 0.02 0.00 0.00 34.50 32.72 3d7n s PRO 63 CO 0.06 -2.47 0.01 0.99 -0.33 0.00 0.00 177.00 175.26 3d7n s THR 64 N -2.57 4.00 -0.33 0.99 2.01 -1.23 -3.12 115.64 115.39 3d7n s THR 64 Ca 0.68 -0.29 0.17 0.00 0.31 0.00 0.00 61.69 62.55 3d7n s THR 64 Cb -0.23 -2.82 0.45 0.00 0.01 0.00 0.00 72.50 69.90 3d7n s THR 64 CO 0.56 0.41 0.97 0.00 -0.69 0.00 0.00 174.62 175.88 3d7n n TYR 65 N 4.40 0.79 0.00 4.92 9.36 -1.26 -4.73 117.16 130.64 3d7n n TYR 65 Ca -0.17 -2.76 0.00 0.00 3.32 0.00 0.00 57.90 58.29 3d7n n TYR 65 Cb 0.52 -0.21 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 3d7n n TYR 65 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3d7n n GLY 67 N -0.09 0.00 3.67 2.98 0.00 -1.26 -4.64 105.19 105.86 3d7n n GLY 67 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 3d7n n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d7n n GLY 68 N 0.00 0.91 3.75 -0.02 0.00 -1.26 -4.61 105.19 103.96 3d7n n GLY 68 Ca 0.00 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 3d7n n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d7n s PRO 69 N -2.08 3.13 0.58 1.61 0.04 -1.26 -4.27 135.00 132.75 3d7n s PRO 69 Ca 0.17 2.09 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 3d7n s PRO 69 Cb -0.04 -2.18 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 3d7n s PRO 69 CO 0.10 -1.15 0.68 -1.13 0.04 0.00 0.00 177.00 175.54 3d7n n SER 70 N -1.14 -0.39 -0.14 6.66 3.41 -1.18 -4.74 113.62 116.10 3d7n n SER 70 Ca 0.11 0.77 0.13 0.00 -0.26 0.00 0.00 58.87 59.62 3d7n n SER 70 Cb 0.46 -1.25 0.49 0.00 -0.26 0.00 0.00 64.21 63.66 3d7n n SER 70 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3d7n h TRP 71 N 0.35 0.50 -0.36 7.33 5.08 -1.93 -1.58 115.95 125.33 3d7n h TRP 71 Ca -0.46 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.49 3d7n h TRP 71 Cb 1.39 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 27.37 3d7n h TRP 71 CO 0.33 0.21 0.11 1.96 -1.28 0.00 0.00 178.44 179.77 3d7n h GLN 72 N 0.44 0.56 -0.61 0.12 7.50 -1.91 0.26 115.11 121.47 3d7n h GLN 72 Ca 0.33 -0.12 0.03 0.00 0.50 0.00 0.00 58.65 59.39 3d7n h GLN 72 Cb 0.69 -0.08 -0.04 0.00 0.05 0.00 0.00 27.48 28.10 3d7n h GLN 72 CO -0.10 0.58 0.37 0.35 -1.50 0.00 0.00 178.83 178.53 3d7n h PHE 73 N 0.42 0.70 -0.52 2.96 3.57 -1.66 -2.64 116.94 119.78 3d7n h PHE 73 Ca 0.11 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 3d7n h PHE 73 Cb 0.26 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3d7n h PHE 73 CO 0.01 0.40 -0.12 -0.22 -2.23 0.00 0.00 178.31 176.14 3d7n h LYS 74 N 0.74 0.99 -0.97 1.11 1.63 -1.02 0.05 116.57 119.09 3d7n h LYS 74 Ca 0.24 -0.37 0.10 0.00 -0.85 0.00 0.00 60.65 59.78 3d7n h LYS 74 Cb 0.02 -0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.51 3d7n h LYS 74 CO -0.10 1.05 0.62 -0.22 -3.45 0.00 0.00 179.45 177.35 3d7n h LYS 75 N 0.88 0.97 -0.41 1.90 3.64 -0.89 0.53 116.57 123.19 3d7n h LYS 75 Ca 0.13 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 3d7n h LYS 75 Cb 0.68 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3d7n h LYS 75 CO 0.05 0.64 -0.17 0.35 -2.27 0.00 0.00 179.45 178.05 3d7n h PHE 76 N 1.00 0.95 -0.44 1.91 3.57 -1.02 -2.09 116.94 120.83 3d7n h PHE 76 Ca 0.46 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3d7n h PHE 76 Cb 0.41 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3d7n h PHE 76 CO -0.00 0.99 0.23 0.00 -2.23 0.00 0.00 178.31 177.30 3d7n h ALA 77 N 0.83 0.56 -0.99 2.41 0.00 0.39 -1.10 119.26 121.36 3d7n h ALA 77 Ca 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3d7n h ALA 77 Cb 0.72 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3d7n h ALA 77 CO 0.05 0.09 0.65 -0.44 0.00 0.00 0.00 179.25 179.61 3d7n h ASP 78 N 0.57 1.13 1.12 0.00 3.32 -0.01 -1.55 116.42 121.00 3d7n h ASP 78 Ca 0.15 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3d7n h ASP 78 Cb 0.07 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3d7n h ASP 78 CO -0.02 0.81 0.00 0.00 -1.72 0.00 0.00 179.24 178.30 3d7n h ALA 79 N 1.37 1.00 0.00 3.45 0.00 -0.79 -1.44 119.26 122.84 3d7n h ALA 79 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3d7n h ALA 79 Cb -0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3d7n h ALA 79 CO -0.09 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.03 3d7n n SER 80 N -3.00 0.00 -0.07 0.00 3.41 -0.47 -2.74 113.62 110.75 3d7n n SER 80 Ca 0.01 -0.88 0.15 0.00 -0.26 0.00 0.00 58.87 57.89 3d7n n SER 80 Cb 0.33 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 64.84 3d7n n SER 80 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3d7n h SER 81 N 0.00 0.25 0.76 4.04 4.64 -1.31 -1.28 113.55 120.66 3d7n h SER 81 Ca 0.00 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 3d7n h SER 81 Cb 0.00 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3d7n h SER 81 CO 0.00 0.14 -0.37 0.50 -0.87 0.00 0.00 176.83 176.24 3d7n h LYS 82 N 0.28 -0.99 -0.11 4.77 3.64 -1.77 -0.93 116.57 121.46 3d7n h LYS 82 Ca 0.29 0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.77 3d7n h LYS 82 Cb 0.77 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3d7n h LYS 82 CO -0.07 -0.66 0.11 -1.00 -2.27 0.00 0.00 179.45 175.57 3d7n h PRO 83 N -1.17 0.00 -0.49 1.90 0.13 -1.77 -2.64 132.00 127.96 3d7n h PRO 83 Ca -0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.90 3d7n h PRO 83 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 3d7n h PRO 83 CO 0.17 0.00 -0.20 2.35 -0.23 0.00 0.00 178.00 180.09 3d7n h TRP 84 N 0.00 1.14 -0.23 1.56 7.01 -0.91 -0.17 115.95 124.35 3d7n h TRP 84 Ca 0.05 -0.27 -0.11 0.00 2.11 0.00 0.00 58.89 60.67 3d7n h TRP 84 Cb 0.28 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 3d7n h TRP 84 CO 0.00 1.10 -0.32 0.35 -2.79 0.00 0.00 178.44 176.78 3d7n h PHE 85 N 0.86 0.54 -0.40 2.65 3.57 -0.79 -2.05 116.94 121.32 3d7n h PHE 85 Ca 0.11 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3d7n h PHE 85 Cb 0.78 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.39 3d7n h PHE 85 CO 0.05 0.74 0.00 -1.13 -2.23 0.00 0.00 178.31 175.74 3d7n n SER 86 N -4.08 2.84 -3.02 0.41 3.41 -1.20 -4.93 113.62 107.05 3d7n n SER 86 Ca -0.01 -2.20 -0.17 0.00 -0.26 0.00 0.00 58.87 56.24 3d7n n SER 86 Cb 0.45 -0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 3d7n n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d7n n ALA 87 N 0.61 -0.99 0.25 7.33 0.00 -0.77 -4.85 120.51 122.09 3d7n n ALA 87 Ca 0.15 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.75 3d7n n ALA 87 Cb 0.53 -1.90 0.75 0.00 0.00 0.00 0.00 19.45 18.83 3d7n n ALA 87 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3d7n h LYS 88 N -0.48 0.00 -0.57 0.00 1.57 -1.32 -2.50 116.57 113.27 3d7n h LYS 88 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3d7n h LYS 88 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3d7n h LYS 88 CO 0.39 0.00 0.00 0.91 -0.57 0.00 0.00 179.45 180.18 3d7n n TRP 89 N -4.25 0.79 -1.70 -1.35 8.01 -1.26 -4.96 117.44 112.72 3d7n n TRP 89 Ca -0.02 -0.51 -0.43 0.00 -1.31 0.00 0.00 57.50 55.24 3d7n n TRP 89 Cb 0.14 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.31 29.41 3d7n n TRP 89 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 3d7n n GLN 90 N 1.17 2.28 -0.87 -0.99 -0.06 -0.94 -2.50 117.38 115.46 3d7n n GLN 90 Ca 0.19 0.81 0.00 0.00 -2.00 0.00 0.00 57.00 56.00 3d7n n GLN 90 Cb 0.55 -2.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.24 3d7n n GLN 90 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3d7n n ASP 91 N 1.78 -2.50 -4.78 1.69 8.00 0.38 -4.94 116.55 116.16 3d7n n ASP 91 Ca 0.09 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.27 3d7n n ASP 91 Cb 0.34 -1.83 0.06 0.00 -0.02 0.00 0.00 41.12 39.67 3d7n n ASP 91 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3d7n s LYS 92 N -0.87 2.70 -0.12 -1.24 1.02 -1.04 -4.70 119.74 115.50 3d7n s LYS 92 Ca 0.00 1.21 -0.20 0.00 0.02 0.00 0.00 55.97 57.00 3d7n s LYS 92 Cb 0.00 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 3d7n s LYS 92 CO 0.00 -1.30 0.54 0.08 -0.92 0.00 0.00 175.35 173.75 3d7n s VAL 93 N -2.68 5.14 0.12 3.17 1.01 -0.95 -0.98 120.40 125.23 3d7n s VAL 93 Ca 0.63 1.08 0.10 0.00 0.00 0.00 0.00 61.98 63.79 3d7n s VAL 93 Cb -0.17 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3d7n s VAL 93 CO 0.48 0.28 -0.23 -0.36 0.00 0.00 0.00 175.10 175.28 3d7n s PHE 94 N 0.82 2.41 0.34 5.22 0.08 0.22 -1.07 117.98 125.99 3d7n s PHE 94 Ca 0.29 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 57.03 3d7n s PHE 94 Cb -0.16 -1.30 -0.01 0.00 -0.57 0.00 0.00 43.02 40.99 3d7n s PHE 94 CO 0.12 0.36 0.39 0.41 -0.10 0.00 0.00 175.22 176.40 3d7n n GLY 95 N 0.88 2.49 3.62 4.36 0.00 -0.90 -1.21 105.19 114.43 3d7n n GLY 95 Ca -0.17 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 3d7n n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d7n s GLY 96 N -3.22 0.30 0.15 -0.02 0.00 -1.26 -1.43 107.32 101.84 3d7n s GLY 96 Ca 0.34 -0.65 -0.19 0.00 0.00 0.00 0.00 44.72 44.22 3d7n s GLY 96 CO 0.24 -0.47 0.49 -0.11 0.00 0.00 0.00 173.10 173.26 3d7n s PHE 97 N -3.97 -0.31 0.18 1.90 -0.12 -0.11 -3.89 117.98 111.67 3d7n s PHE 97 Ca 0.17 0.02 -0.12 0.00 -0.05 0.00 0.00 56.93 56.95 3d7n s PHE 97 Cb -0.02 0.39 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 3d7n s PHE 97 CO 0.06 -0.79 0.39 -0.08 -0.05 0.00 0.00 175.22 174.74 3d7n s THR 98 N -3.80 0.05 -0.28 -4.49 -1.32 -1.10 -2.23 115.64 102.46 3d7n s THR 98 Ca 0.03 -1.18 -0.15 0.00 -1.21 0.00 0.00 61.69 59.18 3d7n s THR 98 Cb 0.00 -1.79 0.09 0.00 -1.51 0.00 0.00 72.50 69.29 3d7n s THR 98 CO -0.11 -0.21 0.71 0.54 -2.21 0.00 0.00 174.62 173.35 3d7n s ASN 99 N -2.94 -0.94 0.21 8.08 2.20 -1.24 -2.38 114.94 117.94 3d7n s ASN 99 Ca 0.15 1.47 0.03 0.00 -0.94 0.00 0.00 52.86 53.57 3d7n s ASN 99 Cb 0.01 1.49 -0.01 0.00 -2.00 0.00 0.00 41.25 40.74 3d7n s ASN 99 CO 0.00 -0.23 0.12 -1.54 -2.94 0.00 0.00 177.10 172.51 3d7n n SER 100 N 4.42 0.39 -0.44 3.54 3.41 -0.79 -3.54 113.62 120.60 3d7n n SER 100 Ca -0.19 -2.24 0.11 0.00 -0.26 0.00 0.00 58.87 56.29 3d7n n SER 100 Cb 0.58 0.76 0.44 0.00 -0.26 0.00 0.00 64.21 65.73 3d7n n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d7n n ALA 101 N -1.80 2.55 -2.70 7.33 0.00 -1.26 0.85 120.51 125.48 3d7n n ALA 101 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3d7n n ALA 101 Cb 0.35 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3d7n n ALA 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3d7n n SER 102 N 0.08 0.35 -4.69 0.00 7.64 -1.26 -4.69 113.62 111.06 3d7n n SER 102 Ca 0.16 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 3d7n n SER 102 Cb 0.28 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.45 3d7n n SER 102 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3d7n s LEU 103 N 0.00 4.32 0.00 -3.43 2.34 -1.26 -4.78 118.68 115.87 3d7n s LEU 103 Ca 0.00 2.18 0.00 0.00 0.06 0.00 0.00 54.13 56.37 3d7n s LEU 103 Cb 0.00 -3.56 0.00 0.00 -0.56 0.00 0.00 46.19 42.07 3d7n s LEU 103 CO 0.00 -0.77 0.33 0.59 -1.06 0.00 0.00 176.35 175.44 3d7n n ASN 104 N 5.56 0.00 0.00 1.48 4.13 -1.26 -2.06 115.26 123.11 3d7n n ASN 104 Ca 0.14 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.40 3d7n n ASN 104 Cb 0.43 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 3d7n n ASN 104 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d7n n GLY 105 N -0.81 -2.49 0.33 7.41 0.00 -1.26 -3.11 105.19 105.26 3d7n n GLY 105 Ca 0.00 0.22 0.18 0.00 0.00 0.00 0.00 46.02 46.42 3d7n n GLY 105 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d7n h ASP 106 N 0.00 0.00 0.22 1.61 3.45 -1.79 -2.73 116.42 117.18 3d7n h ASP 106 Ca 0.00 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 3d7n h ASP 106 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 3d7n h ASP 106 CO 0.00 0.00 -0.20 0.11 -1.57 0.00 0.00 179.24 177.58 3d7n h LYS 107 N 0.00 0.00 -0.60 3.56 1.57 -1.56 -1.89 116.57 117.65 3d7n h LYS 107 Ca 0.04 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3d7n h LYS 107 Cb 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 3d7n h LYS 107 CO -0.00 0.20 0.10 1.25 -0.57 0.00 0.00 179.45 180.43 3d7n h LEU 108 N 0.00 0.92 -0.66 2.94 5.85 -1.49 -2.09 115.31 120.78 3d7n h LEU 108 Ca -0.00 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.56 3d7n h LEU 108 Cb 0.36 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3d7n h LEU 108 CO 0.03 0.92 0.39 -1.13 -0.34 0.00 0.00 178.44 178.30 3d7n h ASN 109 N 0.92 0.60 -0.41 1.25 -1.24 -1.53 0.25 115.58 115.42 3d7n h ASN 109 Ca 0.19 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 3d7n h ASN 109 Cb 0.39 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 3d7n h ASN 109 CO 0.01 0.40 0.21 0.74 -1.29 0.00 0.00 177.43 177.50 3d7n h THR 110 N 0.73 1.16 -0.46 -3.57 2.02 -1.43 -1.64 112.91 109.73 3d7n h THR 110 Ca 0.28 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 3d7n h THR 110 Cb 0.11 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3d7n h THR 110 CO -0.15 0.17 0.13 -0.07 0.37 0.00 0.00 175.52 175.98 3d7n h LEU 111 N 0.53 0.69 -1.56 2.58 3.38 -0.92 -1.96 115.31 118.04 3d7n h LEU 111 Ca 0.14 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3d7n h LEU 111 Cb 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3d7n h LEU 111 CO -0.02 0.72 0.27 1.56 0.09 0.00 0.00 178.44 181.06 3d7n h GLN 112 N 0.62 0.56 -0.72 1.13 4.20 -0.86 -1.35 115.11 118.69 3d7n h GLN 112 Ca 0.15 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 3d7n h GLN 112 Cb 0.29 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3d7n h GLN 112 CO -0.00 0.38 0.23 -0.92 -0.67 0.00 0.00 178.83 177.85 3d7n h TYR 113 N 0.57 1.13 -0.41 2.96 5.03 -0.55 -2.28 116.97 123.43 3d7n h TYR 113 Ca 0.15 -0.11 -0.09 0.00 2.58 0.00 0.00 58.73 61.26 3d7n h TYR 113 Cb -0.04 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 37.89 3d7n h TYR 113 CO 0.00 0.89 -0.13 -0.07 -1.32 0.00 0.00 178.16 177.53 3d7n h LEU 114 N 1.06 0.73 -0.45 2.82 4.07 -0.87 -0.19 115.31 122.48 3d7n h LEU 114 Ca 0.23 -0.22 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 3d7n h LEU 114 Cb 0.29 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 3d7n h LEU 114 CO -0.01 0.88 0.17 0.58 -1.08 0.00 0.00 178.44 178.98 3d7n h VAL 115 N 0.67 1.21 -0.92 1.22 2.07 -1.11 -1.65 116.25 117.73 3d7n h VAL 115 Ca 0.11 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.99 3d7n h VAL 115 Cb 0.60 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3d7n h VAL 115 CO 0.04 0.24 0.60 -0.07 0.02 0.00 0.00 177.57 178.40 3d7n h LEU 116 N 0.59 1.01 -0.25 2.57 3.38 -0.89 0.75 115.31 122.47 3d7n h LEU 116 Ca 0.15 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3d7n h LEU 116 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3d7n h LEU 116 CO -0.01 0.71 0.04 0.25 0.09 0.00 0.00 178.44 179.52 3d7n h LEU 117 N 1.18 0.39 -0.73 1.67 5.85 -0.85 0.13 115.31 122.96 3d7n h LEU 117 Ca 0.36 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3d7n h LEU 117 Cb -0.05 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3d7n h LEU 117 CO -0.10 0.55 0.45 0.00 -0.34 0.00 0.00 178.44 179.00 3d7n h ALA 118 N 0.86 0.96 -0.36 1.25 0.00 -1.11 -2.62 119.26 118.23 3d7n h ALA 118 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3d7n h ALA 118 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3d7n h ALA 118 CO 0.00 0.23 0.00 0.78 0.00 0.00 0.00 179.25 180.26 3d7n h GLY 119 N 0.88 0.69 0.51 0.00 0.00 -0.44 -1.08 103.07 103.63 3d7n h GLY 119 Ca 0.30 -0.51 0.15 0.00 0.00 0.00 0.00 47.33 47.27 3d7n h GLY 119 CO -0.12 0.47 0.57 -1.61 0.00 0.00 0.00 176.54 175.84 3d7n h GLN 120 N 0.46 0.59 -0.01 4.80 5.75 -0.59 0.24 115.11 126.35 3d7n h GLN 120 Ca 0.10 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3d7n h GLN 120 Cb 0.46 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.87 3d7n h GLN 120 CO 0.02 0.39 -0.01 0.72 -2.65 0.00 0.00 178.83 177.30 3d7n n HIS 121 N -4.55 0.00 -2.70 3.99 8.25 -1.00 -4.94 115.22 114.27 3d7n n HIS 121 Ca 0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.52 3d7n n HIS 121 Cb 0.51 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.63 3d7n n HIS 121 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d7n n GLY 122 N 1.12 0.10 4.02 -1.41 0.00 0.85 -2.93 105.19 106.94 3d7n n GLY 122 Ca 0.20 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 3d7n n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d7n s GLY 123 N -2.90 1.77 -0.11 -0.02 0.00 -0.45 -0.47 107.32 105.14 3d7n s GLY 123 Ca 0.17 -1.92 -0.03 0.00 0.00 0.00 0.00 44.72 42.95 3d7n s GLY 123 CO 0.22 -1.48 0.00 1.08 0.00 0.00 0.00 173.10 172.92 3d7n s LEU 124 N -4.75 3.55 -0.19 0.66 1.43 -0.15 -4.68 118.68 114.54 3d7n s LEU 124 Ca 0.62 0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 53.72 3d7n s LEU 124 Cb -0.06 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3d7n s LEU 124 CO 0.39 0.31 0.08 0.86 0.23 0.00 0.00 176.35 178.23 3d7n s TRP 125 N -0.50 3.28 -0.31 0.29 -0.11 -1.26 -0.61 118.94 119.71 3d7n s TRP 125 Ca 0.09 0.11 -0.12 0.00 1.22 0.00 0.00 56.10 57.40 3d7n s TRP 125 Cb -0.12 -2.11 -0.03 0.00 -1.50 0.00 0.00 33.47 29.71 3d7n s TRP 125 CO 0.02 0.16 0.21 0.08 -4.62 0.00 0.00 176.95 172.80 3d7n s VAL 126 N 0.44 5.27 0.66 5.86 1.01 -0.35 -4.98 120.40 128.32 3d7n s VAL 126 Ca 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 3d7n s VAL 126 Cb -0.12 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.67 3d7n s VAL 126 CO 0.00 0.11 0.99 -0.94 0.00 0.00 0.00 175.10 175.26 3d7n s SER 127 N 1.74 5.29 0.19 3.32 1.04 -1.26 -4.72 113.70 119.30 3d7n s SER 127 Ca 0.06 0.75 -0.31 0.00 0.48 0.00 0.00 55.95 56.94 3d7n s SER 127 Cb -0.17 -1.58 -0.10 0.00 0.10 0.00 0.00 66.02 64.28 3d7n s SER 127 CO 0.11 -1.31 1.47 -0.22 0.98 0.00 0.00 173.24 174.26 3d7n s LEU 128 N -5.18 4.38 -0.52 2.42 2.96 -1.20 -4.88 118.68 116.66 3d7n s LEU 128 Ca 0.57 2.56 -0.02 0.00 -0.22 0.00 0.00 54.13 57.02 3d7n s LEU 128 Cb -0.11 -3.60 0.31 0.00 0.50 0.00 0.00 46.19 43.28 3d7n s LEU 128 CO 0.47 -0.73 2.11 0.61 -1.32 0.00 0.00 176.35 177.49 3d7n n GLY 129 N 3.04 4.97 0.07 7.98 0.00 -1.26 -4.89 105.19 115.10 3d7n n GLY 129 Ca 0.10 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 3d7n n GLY 129 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d7n n TYR 149 N -0.18 0.00 0.11 1.61 4.01 -1.26 -5.16 117.16 116.29 3d7n n TYR 149 Ca 0.47 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 58.18 3d7n n TYR 149 Cb 0.58 -0.62 0.12 0.00 -0.31 0.00 0.00 39.34 39.11 3d7n n TYR 149 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 3d7n h ILE 150 N 0.00 1.46 -1.17 -0.72 6.09 -1.95 -3.45 117.51 117.78 3d7n h ILE 150 Ca -0.35 -2.26 0.35 0.00 -1.37 0.00 0.00 64.86 61.23 3d7n h ILE 150 Cb 1.64 2.21 -0.16 0.00 0.47 0.00 0.00 36.82 40.98 3d7n h ILE 150 CO -0.03 0.65 0.94 0.00 -3.07 0.00 0.00 178.15 176.64 3d7n s ALA 151 N -3.52 -2.32 1.13 0.18 0.00 -1.26 -3.24 121.76 112.73 3d7n s ALA 151 Ca -0.02 1.25 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 3d7n s ALA 151 Cb 0.12 0.04 0.27 0.00 0.00 0.00 0.00 23.12 23.55 3d7n s ALA 151 CO 0.78 -0.86 1.21 -1.25 0.00 0.00 0.00 175.76 175.63 3d7n s PRO 152 N -2.15 -0.68 0.00 0.00 0.04 -1.25 -4.84 135.00 126.12 3d7n s PRO 152 Ca 0.13 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 60.89 3d7n s PRO 152 Cb 0.04 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.90 3d7n s PRO 152 CO -0.05 -3.31 0.00 0.00 0.04 0.00 0.00 177.00 173.68 3d7n n ALA 154 N -4.43 0.00 -1.82 8.56 0.00 -1.00 -2.73 120.51 119.09 3d7n n ALA 154 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.22 3d7n n ALA 154 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 3d7n n ALA 154 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3d7n s GLN 155 N -2.00 4.53 0.10 0.00 2.00 -1.26 -1.89 119.66 121.13 3d7n s GLN 155 Ca 0.00 1.26 0.04 0.00 -2.00 0.00 0.00 55.36 54.67 3d7n s GLN 155 Cb 0.00 -2.79 -0.03 0.00 0.80 0.00 0.00 33.01 30.99 3d7n s GLN 155 CO 0.00 0.28 -0.12 -1.12 -0.50 0.00 0.00 175.29 173.83 3d7n s SER 156 N -1.64 1.62 0.00 6.67 0.01 0.25 -4.74 113.70 115.87 3d7n s SER 156 Ca 0.50 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.99 3d7n s SER 156 Cb -0.18 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.03 3d7n s SER 156 CO 0.23 -0.20 0.00 -0.62 0.41 0.00 0.00 173.24 173.06 3d7n n GLU 164 N 0.71 0.00 -2.79 12.44 1.02 -1.26 -4.87 120.64 125.89 3d7n n GLU 164 Ca -0.17 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.64 3d7n n GLU 164 Cb 0.57 -0.36 -0.06 0.00 -0.02 0.00 0.00 31.44 31.56 3d7n n GLU 164 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3d7n s SER 166 N -3.37 6.86 0.19 1.62 1.04 -1.26 -4.87 113.70 113.90 3d7n s SER 166 Ca 0.00 1.60 -0.08 0.00 0.48 0.00 0.00 55.95 57.95 3d7n s SER 166 Cb 0.00 -2.51 0.09 0.00 0.10 0.00 0.00 66.02 63.70 3d7n s SER 166 CO 0.00 -0.38 1.64 0.58 0.98 0.00 0.00 173.24 176.06 3d7n h VAL 167 N 1.73 1.26 -0.69 5.02 2.07 -2.03 -2.18 116.25 121.44 3d7n h VAL 167 Ca -0.48 -1.18 0.13 0.00 0.82 0.00 0.00 66.70 65.99 3d7n h VAL 167 Cb 1.18 0.84 -0.13 0.00 -1.52 0.00 0.00 31.29 31.66 3d7n h VAL 167 CO 0.62 0.42 -0.22 1.23 0.02 0.00 0.00 177.57 179.64 3d7n h GLY 168 N 0.98 0.36 1.04 2.17 0.00 -2.05 0.53 103.07 106.09 3d7n h GLY 168 Ca 0.16 0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.68 3d7n h GLY 168 CO 0.03 -0.26 -0.07 -0.55 0.00 0.00 0.00 176.54 175.69 3d7n h ASP 169 N -0.04 0.91 -0.67 0.19 3.32 -1.90 -2.08 116.42 116.16 3d7n h ASP 169 Ca 0.32 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3d7n h ASP 169 Cb 0.53 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 3d7n h ASP 169 CO -0.73 1.04 0.26 -0.07 -1.72 0.00 0.00 179.24 178.03 3d7n h LEU 170 N 0.77 0.94 -0.10 1.55 3.38 -0.88 -0.32 115.31 120.65 3d7n h LEU 170 Ca 0.13 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3d7n h LEU 170 Cb 0.62 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3d7n h LEU 170 CO 0.04 0.85 -0.04 -0.08 0.09 0.00 0.00 178.44 179.30 3d7n h GLU 171 N 1.00 0.21 -0.96 1.13 4.57 0.19 0.34 114.58 121.06 3d7n h GLU 171 Ca 0.23 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.35 3d7n h GLU 171 Cb 0.21 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 3d7n h GLU 171 CO -0.02 0.54 0.63 1.79 -1.18 0.00 0.00 179.01 180.78 3d7n h THR 172 N -0.14 1.21 -0.45 0.32 1.35 -1.34 -0.11 112.91 113.75 3d7n h THR 172 Ca 0.02 -0.43 0.01 0.00 -0.55 0.00 0.00 66.41 65.47 3d7n h THR 172 Cb 0.48 -0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 66.71 3d7n h THR 172 CO 0.01 0.23 0.28 0.00 -0.25 0.00 0.00 175.52 175.79 3d7n h ALA 173 N 1.37 0.57 -0.40 6.62 0.00 -0.84 -1.12 119.26 125.45 3d7n h ALA 173 Ca 0.37 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3d7n h ALA 173 Cb -0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3d7n h ALA 173 CO -0.10 -0.02 0.05 -0.09 0.00 0.00 0.00 179.25 179.09 3d7n h ARG 174 N 0.56 0.67 -0.64 0.00 2.43 -0.17 -1.68 114.38 115.56 3d7n h ARG 174 Ca 0.17 -0.19 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3d7n h ARG 174 Cb -0.02 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.40 3d7n h ARG 174 CO -0.06 0.73 0.34 -0.07 -1.51 0.00 0.00 179.97 179.39 3d7n h LEU 175 N 0.52 0.49 -0.77 3.80 -0.00 -0.97 -1.51 115.31 116.86 3d7n h LEU 175 Ca 0.12 0.04 0.03 0.00 -0.00 0.00 0.00 57.88 58.06 3d7n h LEU 175 Cb 0.39 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 40.95 3d7n h LEU 175 CO 0.01 0.31 0.50 0.22 -0.00 0.00 0.00 178.44 179.48 3d7n h TYR 176 N 0.62 0.93 -0.61 1.13 3.20 -0.71 -0.17 116.97 121.38 3d7n h TYR 176 Ca 0.29 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.11 3d7n h TYR 176 Cb 0.21 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3d7n h TYR 176 CO -0.09 0.55 0.07 0.78 -1.64 0.00 0.00 178.16 177.83 3d7n h GLY 177 N 0.98 1.08 1.58 1.82 0.00 -0.81 -0.33 103.07 107.39 3d7n h GLY 177 Ca 0.30 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 3d7n h GLY 177 CO -0.10 0.67 -0.02 0.00 0.00 0.00 0.00 176.54 177.09 3d7n h ALA 178 N 1.13 1.35 -0.07 3.60 0.00 -0.89 -1.96 119.26 122.42 3d7n h ALA 178 Ca 0.18 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3d7n h ALA 178 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3d7n h ALA 178 CO 0.02 0.45 -0.69 -0.09 0.00 0.00 0.00 179.25 178.93 3d7n h ARG 179 N 0.50 0.31 -0.14 0.00 2.43 -0.17 -1.37 114.38 115.94 3d7n h ARG 179 Ca 0.10 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 58.95 3d7n h ARG 179 Cb 0.35 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3d7n h ARG 179 CO 0.01 0.89 -0.20 0.28 -1.51 0.00 0.00 179.97 179.44 3d7n h VAL 180 N 0.22 1.36 -0.78 0.20 2.07 -0.96 -2.42 116.25 115.93 3d7n h VAL 180 Ca -0.02 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.09 3d7n h VAL 180 Cb 1.25 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.94 3d7n h VAL 180 CO 0.11 0.42 0.52 0.00 0.02 0.00 0.00 177.57 178.64 3d7n h ALA 181 N 0.57 1.47 -0.59 1.67 0.00 -1.28 -0.07 119.26 121.03 3d7n h ALA 181 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3d7n h ALA 181 Cb 0.77 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3d7n h ALA 181 CO 0.05 0.48 0.27 -0.97 0.00 0.00 0.00 179.25 179.07 3d7n h ASN 182 N 1.03 0.79 -0.12 0.00 -0.73 -1.10 -0.88 115.58 114.57 3d7n h ASN 182 Ca 0.29 -0.15 -0.12 0.00 1.87 0.00 0.00 56.30 58.20 3d7n h ASN 182 Cb -0.07 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.31 3d7n h ASN 182 CO -0.07 0.72 -0.30 0.58 -0.37 0.00 0.00 177.43 177.98 3d7n h VAL 183 N 0.82 1.28 -0.07 2.57 2.07 -0.84 -2.74 116.25 119.34 3d7n h VAL 183 Ca 0.20 -1.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.23 3d7n h VAL 183 Cb 0.15 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3d7n h VAL 183 CO -0.02 0.45 -0.33 0.00 0.02 0.00 0.00 177.57 177.69 3d7n h ALA 184 N 1.15 1.32 -0.28 1.67 0.00 -0.40 -2.38 119.26 120.34 3d7n h ALA 184 Ca 0.06 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3d7n h ALA 184 Cb 0.78 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3d7n h ALA 184 CO 0.06 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.72 3d7n h ARG 185 N 0.12 0.55 0.00 0.00 3.08 -0.99 -3.13 114.38 114.01 3d7n h ARG 185 Ca 0.01 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3d7n h ARG 185 Cb 0.65 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3d7n h ARG 185 CO 0.05 0.76 0.00 0.94 -1.07 0.00 0.00 179.97 180.64 3d7n n GLN 186 N -4.50 0.18 -2.87 0.04 7.27 -0.94 -4.10 117.38 112.46 3d7n n GLN 186 Ca -0.03 0.43 -0.12 0.00 0.07 0.00 0.00 57.00 57.35 3d7n n GLN 186 Cb 0.32 -1.85 0.04 0.00 2.41 0.00 0.00 30.24 31.15 3d7n n GLN 186 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 3d7n n HIS 187 N -2.19 -0.70 0.96 3.69 -0.00 -0.95 -5.10 115.22 110.93 3d7n n HIS 187 Ca 0.02 -2.87 0.12 0.00 0.46 0.00 0.00 57.72 55.45 3d7n n HIS 187 Cb 0.21 0.39 0.10 0.00 -0.12 0.00 0.00 29.99 30.56 3d7n n HIS 187 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97