#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e7n n ALA 0 N 0.00 0.00 0.00 5.20 0.00 -1.26 -5.18 120.51 119.27 3e7n n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3e7n n ALA 0 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3e7n n ALA 0 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3e7n n LYS 2 N 0.00 0.00 -2.09 0.00 4.81 -1.26 -5.04 118.16 114.58 3e7n n LYS 2 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 3e7n n LYS 2 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 3e7n n LYS 2 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3e7n s LYS 3 N 0.00 3.47 0.00 1.64 1.02 -1.26 -4.83 119.74 119.78 3e7n s LYS 3 Ca 0.00 1.91 0.00 0.00 0.02 0.00 0.00 55.97 57.90 3e7n s LYS 3 Cb 0.00 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 3e7n s LYS 3 CO 0.00 -0.83 0.00 0.41 -0.92 0.00 0.00 175.35 174.01 3e7n n GLY 4 N 0.52 -1.62 0.00 -3.33 0.00 -1.26 -4.82 105.19 94.69 3e7n n GLY 4 Ca 0.09 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3e7n n GLY 4 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3e7n n THR 5 N 0.00 0.00 -2.98 2.61 -2.24 -1.26 -4.86 114.28 105.55 3e7n n THR 5 Ca 0.00 -0.43 -0.44 0.00 -2.27 0.00 0.00 64.05 60.91 3e7n n THR 5 Cb 0.00 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 3e7n n THR 5 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3e7n s VAL 6 N -0.47 4.77 -0.13 2.28 1.01 -1.26 -4.88 120.40 121.72 3e7n s VAL 6 Ca 0.00 -1.44 0.19 0.00 0.00 0.00 0.00 61.98 60.73 3e7n s VAL 6 Cb 0.00 -4.71 -0.17 0.00 0.00 0.00 0.00 36.38 31.50 3e7n s VAL 6 CO 0.00 -1.41 0.68 0.18 0.00 0.00 0.00 175.10 174.55 3e7n n LEU 7 N 6.43 0.57 -4.75 3.92 4.77 -1.26 -4.84 117.00 121.84 3e7n n LEU 7 Ca 0.16 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.97 3e7n n LEU 7 Cb 0.48 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 3e7n n LEU 7 CO 0.51 0.11 1.07 0.21 -1.33 0.00 0.00 177.39 177.97 3e7n s ASN 8 N -5.43 6.70 0.12 -1.43 3.84 -1.26 -4.93 114.94 112.56 3e7n s ASN 8 Ca -0.05 2.64 -0.12 0.00 0.21 0.00 0.00 52.86 55.54 3e7n s ASN 8 Cb 0.09 -2.63 -0.08 0.00 -0.55 0.00 0.00 41.25 38.09 3e7n s ASN 8 CO 0.83 -0.66 1.42 0.77 -2.79 0.00 0.00 177.10 176.67 3e7n h SER 9 N 4.83 0.92 -0.26 -4.21 4.64 -1.99 -1.51 113.55 115.97 3e7n h SER 9 Ca -0.46 -0.50 -0.11 0.00 -0.47 0.00 0.00 61.79 60.24 3e7n h SER 9 Cb 1.22 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3e7n h SER 9 CO 0.76 1.24 -0.27 -0.33 -0.87 0.00 0.00 176.83 177.36 3e7n h GLU 10 N 0.63 0.64 -0.48 4.77 4.39 -1.99 -1.63 114.58 120.90 3e7n h GLU 10 Ca 0.03 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 3e7n h GLU 10 Cb 1.03 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 3e7n h GLU 10 CO 0.10 0.95 0.21 0.82 -1.16 0.00 0.00 179.01 179.93 3e7n h ILE 11 N 0.37 1.20 -0.53 3.13 2.04 -1.96 -0.42 117.51 121.34 3e7n h ILE 11 Ca 0.04 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.31 3e7n h ILE 11 Cb 0.84 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3e7n h ILE 11 CO 0.07 0.23 0.33 0.28 0.00 0.00 0.00 178.15 179.06 3e7n h SER 12 N 0.64 0.55 -0.35 1.72 0.02 -1.25 -1.21 113.55 113.67 3e7n h SER 12 Ca 0.16 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3e7n h SER 12 Cb 0.16 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3e7n h SER 12 CO -0.02 0.39 0.20 -1.28 -1.14 0.00 0.00 176.83 174.98 3e7n h SER 13 N 0.66 0.44 -0.10 3.07 0.87 -0.90 -2.05 113.55 115.55 3e7n h SER 13 Ca 0.21 -0.08 -0.19 0.00 -1.23 0.00 0.00 61.79 60.50 3e7n h SER 13 Cb -0.02 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3e7n h SER 13 CO -0.07 0.39 -0.63 1.62 -0.53 0.00 0.00 176.83 177.60 3e7n h VAL 14 N 0.45 1.30 -0.51 2.23 3.04 -0.72 -2.82 116.25 119.21 3e7n h VAL 14 Ca 0.13 -1.87 -0.02 0.00 -1.01 0.00 0.00 66.70 63.92 3e7n h VAL 14 Cb 0.05 1.82 -0.03 0.00 -2.01 0.00 0.00 31.29 31.12 3e7n h VAL 14 CO -0.02 0.59 0.22 0.40 -1.01 0.00 0.00 177.57 177.75 3e7n h ILE 15 N 0.52 1.18 0.00 3.17 2.04 -1.15 -0.75 117.51 122.53 3e7n h ILE 15 Ca -0.01 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3e7n h ILE 15 Cb 1.23 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 3e7n h ILE 15 CO 0.13 0.22 0.00 -1.54 0.00 0.00 0.00 178.15 176.96 3e7n n SER 16 N -4.35 0.46 0.01 1.72 3.41 -0.78 -2.50 113.62 111.58 3e7n n SER 16 Ca 0.04 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 3e7n n SER 16 Cb 0.15 -0.70 0.07 0.00 -0.26 0.00 0.00 64.21 63.47 3e7n n SER 16 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3e7n n ARG 17 N -1.98 0.08 -2.02 4.33 1.74 -0.31 -4.98 116.66 113.52 3e7n n ARG 17 Ca 0.04 -0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.71 3e7n n ARG 17 Cb 0.27 -1.52 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 3e7n n ARG 17 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3e7n s LEU 18 N -3.25 4.29 0.49 0.55 1.43 -1.04 -5.04 118.68 116.11 3e7n s LEU 18 Ca 0.08 2.74 0.03 0.00 -1.03 0.00 0.00 54.13 55.95 3e7n s LEU 18 Cb 0.16 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 3e7n s LEU 18 CO 0.78 -0.77 0.05 -0.83 0.23 0.00 0.00 176.35 175.82 3e7n s GLY 19 N -0.55 2.81 0.10 -3.19 0.00 -1.26 -5.05 107.32 100.17 3e7n s GLY 19 Ca 0.54 -0.99 -0.35 0.00 0.00 0.00 0.00 44.72 43.92 3e7n s GLY 19 CO 0.53 -2.13 1.56 1.57 0.00 0.00 0.00 173.10 174.62 3e7n n HIS 20 N -1.25 2.08 0.00 1.90 -0.00 -1.26 -1.48 115.22 115.21 3e7n n HIS 20 Ca -0.13 0.34 0.00 0.00 0.46 0.00 0.00 57.72 58.39 3e7n n HIS 20 Cb 0.67 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 3e7n n HIS 20 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 3e7n n THR 21 N 3.41 0.00 -1.82 3.57 -2.24 0.07 -4.99 114.28 112.28 3e7n n THR 21 Ca 0.18 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.58 3e7n n THR 21 Cb 0.26 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.53 3e7n n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3e7n s ASP 22 N -3.56 5.18 0.27 3.42 1.01 -0.55 -4.64 116.67 117.79 3e7n s ASP 22 Ca 0.00 2.68 0.11 0.00 0.71 0.00 0.00 52.55 56.05 3e7n s ASP 22 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3e7n s ASP 22 CO 0.00 -1.63 -0.13 0.42 0.21 0.00 0.00 175.17 174.04 3e7n s THR 23 N -1.36 2.82 -0.03 -1.27 -4.23 -1.26 -1.25 115.64 109.07 3e7n s THR 23 Ca 0.74 -2.21 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3e7n s THR 23 Cb -0.38 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.00 3e7n s THR 23 CO 0.44 -0.38 0.05 -0.22 -0.54 0.00 0.00 174.62 173.98 3e7n s LEU 24 N -3.52 1.16 -0.11 4.79 2.96 -0.46 -1.23 118.68 122.27 3e7n s LEU 24 Ca 0.30 0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.26 3e7n s LEU 24 Cb -0.06 0.03 -0.04 0.00 0.50 0.00 0.00 46.19 46.63 3e7n s LEU 24 CO 0.16 -0.11 0.03 -0.69 -1.32 0.00 0.00 176.35 174.43 3e7n s VAL 25 N 0.90 4.58 -0.16 1.68 1.01 -0.37 -0.64 120.40 127.40 3e7n s VAL 25 Ca -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3e7n s VAL 25 Cb -0.10 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 3e7n s VAL 25 CO -0.03 0.59 -0.12 -0.69 0.00 0.00 0.00 175.10 174.85 3e7n s VAL 26 N -0.70 2.98 0.35 2.92 1.01 -0.60 0.06 120.40 126.43 3e7n s VAL 26 Ca 0.11 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.47 3e7n s VAL 26 Cb -0.12 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 3e7n s VAL 26 CO 0.02 0.50 0.07 0.00 0.00 0.00 0.00 175.10 175.69 3e7n s ASP 28 N -3.54 4.02 0.22 0.00 1.47 -0.79 -1.37 116.67 116.68 3e7n s ASP 28 Ca 0.32 -0.26 0.21 0.00 1.18 0.00 0.00 52.55 53.99 3e7n s ASP 28 Cb 0.07 -0.01 0.92 0.00 -0.34 0.00 0.00 42.92 43.56 3e7n s ASP 28 CO 0.15 -2.10 1.63 0.00 0.68 0.00 0.00 175.17 175.53 3e7n n ALA 29 N -3.06 1.48 0.39 2.11 0.00 -0.07 -3.09 120.51 118.27 3e7n n ALA 29 Ca 0.16 0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.73 3e7n n ALA 29 Cb 0.60 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.76 3e7n n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e7n n GLY 30 N -0.39 -0.48 3.73 0.00 0.00 -1.26 -5.02 105.19 101.77 3e7n n GLY 30 Ca 0.01 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3e7n n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3e7n s LEU 31 N -0.87 4.41 0.45 0.99 2.96 -1.18 -4.99 118.68 120.45 3e7n s LEU 31 Ca 0.11 2.34 -0.23 0.00 -0.22 0.00 0.00 54.13 56.13 3e7n s LEU 31 Cb 0.08 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 43.09 3e7n s LEU 31 CO 0.13 -0.53 1.11 -2.16 -1.32 0.00 0.00 176.35 173.57 3e7n s PRO 32 N 0.22 3.87 -0.21 0.98 0.04 -1.26 -5.00 135.00 133.64 3e7n s PRO 32 Ca 0.58 1.62 0.01 0.00 0.04 0.00 0.00 61.00 63.24 3e7n s PRO 32 Cb -0.36 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 31.83 3e7n s PRO 32 CO 0.36 -0.42 -0.15 0.42 0.04 0.00 0.00 177.00 177.25 3e7n s ILE 33 N -1.66 2.30 0.57 0.56 1.01 -1.26 -5.09 121.20 117.63 3e7n s ILE 33 Ca 0.63 -1.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 3e7n s ILE 33 Cb -0.24 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 3e7n s ILE 33 CO 0.30 0.38 1.17 -2.84 0.00 0.00 0.00 174.94 173.95 3e7n s PRO 34 N 1.28 3.17 0.00 2.79 0.02 -1.26 -4.92 135.00 136.07 3e7n s PRO 34 Ca 0.02 1.74 0.28 0.00 0.02 0.00 0.00 61.00 63.06 3e7n s PRO 34 Cb -0.15 -1.98 1.42 0.00 0.02 0.00 0.00 34.50 33.81 3e7n s PRO 34 CO -0.10 -1.03 1.97 0.27 -0.33 0.00 0.00 177.00 177.78 3e7n n ASN 35 N -1.42 0.00 0.00 2.53 0.23 -1.26 -2.59 115.26 112.75 3e7n n ASN 35 Ca 0.13 -0.14 0.10 0.00 -0.53 0.00 0.00 54.58 54.13 3e7n n ASN 35 Cb 0.50 -0.27 0.62 0.00 -2.08 0.00 0.00 39.78 38.54 3e7n n ASN 35 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3e7n n SER 36 N -1.27 0.00 -4.06 0.53 3.41 -1.26 -4.83 113.62 106.14 3e7n n SER 36 Ca 0.14 -1.15 -0.13 0.00 -0.26 0.00 0.00 58.87 57.47 3e7n n SER 36 Cb 0.22 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.05 3e7n n SER 36 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3e7n s THR 37 N -2.00 0.54 0.34 6.66 -1.32 -1.07 -4.92 115.64 113.87 3e7n s THR 37 Ca 0.31 -1.05 -0.28 0.00 -1.21 0.00 0.00 61.69 59.47 3e7n s THR 37 Cb 0.14 -0.60 -0.09 0.00 -1.51 0.00 0.00 72.50 70.43 3e7n s THR 37 CO 0.24 -0.36 1.17 0.00 -2.21 0.00 0.00 174.62 173.46 3e7n s ALA 38 N -1.33 3.33 -0.28 11.08 0.00 -1.22 -4.86 121.76 128.48 3e7n s ALA 38 Ca -0.09 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 3e7n s ALA 38 Cb -0.10 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3e7n s ALA 38 CO 0.00 -0.39 0.07 0.50 0.00 0.00 0.00 175.76 175.94 3e7n s ARG 39 N -1.85 3.17 -0.37 0.00 3.52 -1.26 -1.13 118.95 121.03 3e7n s ARG 39 Ca 0.50 -0.80 -0.05 0.00 -0.13 0.00 0.00 55.73 55.25 3e7n s ARG 39 Cb -0.33 -3.33 0.07 0.00 -1.56 0.00 0.00 34.95 29.81 3e7n s ARG 39 CO 0.42 -0.40 0.15 0.42 -0.81 0.00 0.00 175.30 175.08 3e7n s ILE 40 N 1.51 3.50 0.24 4.11 1.01 -0.26 -4.98 121.20 126.33 3e7n s ILE 40 Ca 0.03 -1.57 -0.01 0.00 0.00 0.00 0.00 60.65 59.10 3e7n s ILE 40 Cb -0.17 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 3e7n s ILE 40 CO 0.02 -0.41 0.43 -0.62 0.00 0.00 0.00 174.94 174.37 3e7n s ASP 41 N 1.67 6.38 0.22 3.58 -1.08 -1.26 -0.91 116.67 125.27 3e7n s ASP 41 Ca 0.02 0.44 0.00 0.00 -0.52 0.00 0.00 52.55 52.48 3e7n s ASP 41 Cb -0.21 -2.02 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 3e7n s ASP 41 CO -0.01 -0.10 0.00 0.00 0.52 0.00 0.00 175.17 175.58 3e7n n ALA 43 N -0.89 -2.15 -0.11 3.66 0.00 -0.79 -4.95 120.51 115.28 3e7n n ALA 43 Ca -0.04 0.42 -0.18 0.00 0.00 0.00 0.00 53.44 53.64 3e7n n ALA 43 Cb 0.54 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 3e7n n ALA 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3e7n n LEU 44 N 1.38 1.90 -3.84 0.00 7.94 0.05 -4.95 117.00 119.48 3e7n n LEU 44 Ca 0.00 0.41 -0.09 0.00 -1.11 0.00 0.00 56.01 55.22 3e7n n LEU 44 Cb 0.00 -0.85 0.01 0.00 0.53 0.00 0.00 43.42 43.12 3e7n n LEU 44 CO 0.00 0.10 0.48 0.28 -1.11 0.00 0.00 177.39 177.14 3e7n s THR 45 N -2.52 0.00 -0.12 1.96 -1.32 -0.97 -5.04 115.64 107.63 3e7n s THR 45 Ca -0.30 -1.07 -0.38 0.00 -1.21 0.00 0.00 61.69 58.74 3e7n s THR 45 Cb 0.08 -2.73 -0.16 0.00 -1.51 0.00 0.00 72.50 68.18 3e7n s THR 45 CO 0.45 0.00 1.62 0.00 -2.21 0.00 0.00 174.62 174.48 3e7n n GLN 46 N -0.52 1.29 -0.93 7.08 3.00 -1.26 -1.05 117.38 125.00 3e7n n GLN 46 Ca -0.07 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 3e7n n GLN 46 Cb 0.60 -2.16 0.00 0.00 0.00 0.00 0.00 30.24 28.68 3e7n n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3e7n n GLY 47 N 3.65 0.59 2.77 1.08 0.00 0.87 -4.97 105.19 109.18 3e7n n GLY 47 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 3e7n n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3e7n s VAL 48 N -2.62 0.58 0.60 1.61 1.01 -0.21 -3.04 120.40 118.33 3e7n s VAL 48 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 3e7n s VAL 48 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3e7n s VAL 48 CO 0.00 -0.04 1.00 -2.16 0.00 0.00 0.00 175.10 173.89 3e7n s PRO 49 N 1.85 3.60 0.75 2.72 0.04 -1.26 -0.77 135.00 141.93 3e7n s PRO 49 Ca 0.01 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 3e7n s PRO 49 Cb -0.16 -2.12 0.04 0.00 0.04 0.00 0.00 34.50 32.30 3e7n s PRO 49 CO -0.07 -0.51 1.08 -1.54 0.04 0.00 0.00 177.00 176.00 3e7n s SER 50 N -4.14 4.89 0.00 6.66 1.04 -1.17 -0.28 113.70 120.70 3e7n s SER 50 Ca 0.54 1.45 0.00 0.00 0.48 0.00 0.00 55.95 58.42 3e7n s SER 50 Cb -0.11 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.76 3e7n s SER 50 CO 0.52 -1.74 0.00 0.33 0.98 0.00 0.00 173.24 173.33 3e7n n PHE 51 N -3.30 0.00 0.00 5.02 7.35 -1.26 -2.45 117.46 122.82 3e7n n PHE 51 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 3e7n n PHE 51 Cb 0.55 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.38 3e7n n PHE 51 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3e7n n GLN 53 N 0.37 0.00 -0.03 -4.13 6.02 -1.26 -1.20 117.38 117.14 3e7n n GLN 53 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 3e7n n GLN 53 Cb 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 3e7n n GLN 53 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3e7n h VAL 54 N 0.00 1.42 -0.44 5.09 2.07 -1.84 -1.87 116.25 120.68 3e7n h VAL 54 Ca 0.00 -1.43 0.04 0.00 0.82 0.00 0.00 66.70 66.13 3e7n h VAL 54 Cb 0.00 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 3e7n h VAL 54 CO 0.00 0.40 0.19 0.58 0.02 0.00 0.00 177.57 178.75 3e7n h VAL 55 N -0.31 0.92 -0.08 2.57 2.07 -1.44 -0.37 116.25 119.61 3e7n h VAL 55 Ca 0.00 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3e7n h VAL 55 Cb 0.70 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3e7n h VAL 55 CO 0.03 0.07 0.01 -0.78 0.02 0.00 0.00 177.57 176.91 3e7n h ASP 56 N 0.38 -0.01 -0.22 0.57 3.58 -1.81 -0.99 116.42 117.93 3e7n h ASP 56 Ca 0.20 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 3e7n h ASP 56 Cb 0.15 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3e7n h ASP 56 CO -0.17 0.01 0.07 0.58 -2.88 0.00 0.00 179.24 176.85 3e7n h VAL 57 N 0.04 1.19 -0.74 2.25 2.07 -0.98 -2.65 116.25 117.42 3e7n h VAL 57 Ca 0.04 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.04 3e7n h VAL 57 Cb 0.03 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 3e7n h VAL 57 CO -0.05 0.19 0.43 0.58 0.02 0.00 0.00 177.57 178.73 3e7n h VAL 58 N 0.19 0.97 0.00 2.57 2.07 -0.92 -1.69 116.25 119.44 3e7n h VAL 58 Ca 0.07 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3e7n h VAL 58 Cb 0.22 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3e7n h VAL 58 CO -0.00 0.14 0.00 0.35 0.02 0.00 0.00 177.57 178.08 3e7n n THR 59 N -4.74 0.38 0.18 2.57 -2.24 -0.39 -2.23 114.28 107.81 3e7n n THR 59 Ca 0.10 0.10 0.02 0.00 -2.27 0.00 0.00 64.05 62.00 3e7n n THR 59 Cb 0.19 -0.71 0.32 0.00 -2.10 0.00 0.00 70.33 68.04 3e7n n THR 59 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3e7n h ARG 60 N 0.00 0.00 -1.29 -0.78 3.08 -0.95 -3.45 114.38 111.00 3e7n h ARG 60 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 3e7n h ARG 60 Cb 0.34 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.06 3e7n h ARG 60 CO 0.00 0.43 0.38 0.39 -1.07 0.00 0.00 179.97 180.10 3e7n n GLU 61 N -3.91 2.99 -3.64 0.04 1.02 -0.95 -5.09 120.64 111.10 3e7n n GLU 61 Ca -0.01 -3.69 -0.24 0.00 -0.02 0.00 0.00 57.16 53.20 3e7n n GLU 61 Cb 0.47 -2.28 -0.17 0.00 -0.02 0.00 0.00 31.44 29.44 3e7n n GLU 61 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3e7n s GLN 63 N -3.81 0.05 -0.19 3.49 -1.52 -1.26 -5.05 119.66 111.37 3e7n s GLN 63 Ca 0.57 0.07 -0.06 0.00 -1.95 0.00 0.00 55.36 53.98 3e7n s GLN 63 Cb 0.46 -1.38 -0.03 0.00 -0.22 0.00 0.00 33.01 31.84 3e7n s GLN 63 CO -0.13 -0.55 0.03 0.08 -0.25 0.00 0.00 175.29 174.47 3e7n s VAL 64 N 2.14 4.41 -0.17 1.09 1.01 -1.25 -1.29 120.40 126.34 3e7n s VAL 64 Ca 0.03 -0.17 0.14 0.00 0.00 0.00 0.00 61.98 61.98 3e7n s VAL 64 Cb -0.15 -2.98 -0.20 0.00 0.00 0.00 0.00 36.38 33.05 3e7n s VAL 64 CO -0.07 0.45 0.37 -1.84 0.00 0.00 0.00 175.10 174.01 3e7n n GLU 65 N 3.79 0.94 -3.58 2.72 0.28 0.31 -4.69 120.64 120.41 3e7n n GLU 65 Ca -0.17 -0.10 -0.14 0.00 -0.16 0.00 0.00 57.16 56.60 3e7n n GLU 65 Cb 0.52 -1.28 -0.05 0.00 1.43 0.00 0.00 31.44 32.05 3e7n n GLU 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3e7n s ALA 66 N -2.80 -1.32 -0.01 -1.84 0.00 -1.17 -2.03 121.76 112.58 3e7n s ALA 66 Ca -0.03 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.54 3e7n s ALA 66 Cb 0.09 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.60 3e7n s ALA 66 CO 0.57 -0.51 -0.04 0.00 0.00 0.00 0.00 175.76 175.78 3e7n s ALA 67 N -2.45 0.43 -0.05 0.00 0.00 0.35 -0.75 121.76 119.29 3e7n s ALA 67 Ca -0.05 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.80 3e7n s ALA 67 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3e7n s ALA 67 CO -0.02 0.07 -0.20 0.42 0.00 0.00 0.00 175.76 176.04 3e7n s ILE 68 N 0.11 2.55 0.15 0.00 1.01 0.06 -1.74 121.20 123.34 3e7n s ILE 68 Ca -0.01 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.79 3e7n s ILE 68 Cb -0.05 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3e7n s ILE 68 CO -0.00 0.58 -0.10 -0.76 0.00 0.00 0.00 174.94 174.65 3e7n s LEU 69 N -0.43 2.52 0.16 2.97 1.43 -0.50 -1.36 118.68 123.47 3e7n s LEU 69 Ca 0.05 -1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 51.85 3e7n s LEU 69 Cb -0.12 -0.36 -0.07 0.00 0.03 0.00 0.00 46.19 45.67 3e7n s LEU 69 CO 0.02 -0.32 1.06 0.00 0.23 0.00 0.00 176.35 177.34 3e7n s ALA 70 N -3.24 3.34 0.47 4.21 0.00 -1.26 -1.35 121.76 123.92 3e7n s ALA 70 Ca 0.16 0.75 0.18 0.00 0.00 0.00 0.00 51.96 53.05 3e7n s ALA 70 Cb 0.02 -3.33 1.16 0.00 0.00 0.00 0.00 23.12 20.97 3e7n s ALA 70 CO 0.01 -0.16 1.98 1.15 0.00 0.00 0.00 175.76 178.74 3e7n h THR 71 N 3.81 0.83 -0.00 0.00 2.02 -1.15 -2.02 112.91 116.39 3e7n h THR 71 Ca -0.44 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3e7n h THR 71 Cb 1.21 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3e7n h THR 71 CO 0.72 0.05 0.01 -0.33 0.37 0.00 0.00 175.52 176.34 3e7n h GLU 72 N 0.26 0.00 -0.32 6.66 3.07 -1.92 -2.27 114.58 120.05 3e7n h GLU 72 Ca 0.28 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.11 3e7n h GLU 72 Cb 0.74 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 3e7n h GLU 72 CO -0.06 0.00 0.10 0.97 -1.40 0.00 0.00 179.01 178.62 3e7n h ILE 73 N 0.00 1.14 -0.20 3.13 2.10 -1.66 -1.71 117.51 120.32 3e7n h ILE 73 Ca 0.00 -0.48 -0.00 0.00 1.08 0.00 0.00 64.86 65.46 3e7n h ILE 73 Cb 0.01 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 36.53 3e7n h ILE 73 CO -0.00 0.18 0.12 0.11 -1.08 0.00 0.00 178.15 177.48 3e7n h LYS 74 N 0.46 0.27 0.14 2.19 1.57 -1.61 -0.28 116.57 119.30 3e7n h LYS 74 Ca 0.11 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.56 3e7n h LYS 74 Cb 0.15 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3e7n h LYS 74 CO -0.01 0.22 -1.48 1.96 -0.57 0.00 0.00 179.45 179.57 3e7n h GLN 75 N 0.24 0.30 -0.01 3.15 1.08 -1.73 -3.34 115.11 114.79 3e7n h GLN 75 Ca 0.07 -0.51 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 3e7n h GLN 75 Cb 0.02 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3e7n h GLN 75 CO -0.01 1.19 -0.76 1.04 -0.95 0.00 0.00 178.83 179.34 3e7n n GLN 76 N -3.51 0.80 -2.82 1.46 6.02 -0.65 -4.52 117.38 114.17 3e7n n GLN 76 Ca -0.15 -0.33 -0.11 0.00 -0.01 0.00 0.00 57.00 56.40 3e7n n GLN 76 Cb 1.05 -1.43 0.06 0.00 1.02 0.00 0.00 30.24 30.94 3e7n n GLN 76 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3e7n n ASN 77 N -0.97 -0.89 -0.07 1.08 2.85 -0.12 -4.67 115.26 112.47 3e7n n ASN 77 Ca 0.05 -3.07 0.00 0.00 -0.11 0.00 0.00 54.58 51.46 3e7n n ASN 77 Cb 0.35 0.72 0.29 0.00 1.24 0.00 0.00 39.78 42.38 3e7n n ASN 77 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3e7n h PRO 78 N 2.74 0.68 -0.11 1.20 0.13 -1.67 -0.70 132.00 134.27 3e7n h PRO 78 Ca -0.10 -0.10 0.01 0.00 -0.87 0.00 0.00 66.00 64.94 3e7n h PRO 78 Cb 1.13 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 3e7n h PRO 78 CO 0.22 0.58 0.02 0.37 -0.23 0.00 0.00 178.00 178.96 3e7n h GLN 79 N 0.67 0.07 -0.33 0.86 4.15 -1.91 -0.86 115.11 117.75 3e7n h GLN 79 Ca 0.16 -0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.42 3e7n h GLN 79 Cb 0.17 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 3e7n h GLN 79 CO -0.01 0.05 -0.42 1.25 -1.93 0.00 0.00 178.83 177.76 3e7n h LEU 80 N 0.07 0.88 -0.38 -2.39 5.85 -1.84 -2.24 115.31 115.26 3e7n h LEU 80 Ca 0.05 -0.42 0.08 0.00 0.84 0.00 0.00 57.88 58.43 3e7n h LEU 80 Cb 0.04 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 3e7n h LEU 80 CO -0.06 1.18 -0.10 -0.74 -0.34 0.00 0.00 178.44 178.38 3e7n h HIS 81 N 0.66 -0.21 -0.34 1.25 2.76 -0.94 -0.93 115.15 117.40 3e7n h HIS 81 Ca 0.05 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.12 3e7n h HIS 81 Cb 0.99 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.10 3e7n h HIS 81 CO 0.06 -0.17 -0.34 0.93 -1.30 0.00 0.00 177.93 177.11 3e7n h GLU 82 N -0.01 0.77 -0.70 5.26 4.39 -1.02 -1.23 114.58 122.04 3e7n h GLU 82 Ca 0.18 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 3e7n h GLU 82 Cb 0.28 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3e7n h GLU 82 CO -0.40 0.99 0.31 1.15 -1.16 0.00 0.00 179.01 179.91 3e7n h THR 83 N 0.64 1.23 -0.31 1.13 2.02 -1.13 -1.54 112.91 114.95 3e7n h THR 83 Ca 0.07 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 3e7n h THR 83 Cb 0.88 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3e7n h THR 83 CO 0.08 0.28 -0.18 0.25 0.37 0.00 0.00 175.52 176.32 3e7n h LEU 84 N 1.00 0.69 -0.48 2.58 5.85 -0.81 -1.81 115.31 122.33 3e7n h LEU 84 Ca 0.24 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3e7n h LEU 84 Cb 0.14 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3e7n h LEU 84 CO -0.03 0.96 0.24 -0.07 -0.34 0.00 0.00 178.44 179.20 3e7n h LEU 85 N 0.42 0.62 -0.40 2.25 3.38 -1.04 0.49 115.31 121.03 3e7n h LEU 85 Ca 0.07 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3e7n h LEU 85 Cb 0.71 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3e7n h LEU 85 CO 0.05 0.56 0.19 0.74 0.09 0.00 0.00 178.44 180.07 3e7n h THR 86 N 0.63 0.96 -0.58 0.22 2.02 -1.24 -0.00 112.91 114.92 3e7n h THR 86 Ca 0.17 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3e7n h THR 86 Cb 0.10 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3e7n h THR 86 CO -0.02 0.07 0.27 -0.74 0.37 0.00 0.00 175.52 175.47 3e7n h HIS 87 N 0.40 0.85 0.00 3.16 -0.00 -0.83 -1.95 115.15 116.77 3e7n h HIS 87 Ca 0.17 -0.05 -0.07 0.00 -0.00 0.00 0.00 60.37 60.43 3e7n h HIS 87 Cb 0.09 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 3e7n h HIS 87 CO -0.11 0.66 -0.31 -0.07 -0.00 0.00 0.00 177.93 178.10 3e7n h LEU 88 N 0.79 0.00 -0.42 0.26 3.38 -0.62 -0.29 115.31 118.41 3e7n h LEU 88 Ca 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3e7n h LEU 88 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3e7n h LEU 88 CO -0.02 0.31 -0.02 -0.08 0.09 0.00 0.00 178.44 178.72 3e7n h GLU 89 N 0.00 0.75 -0.19 1.13 4.81 -0.53 -1.81 114.58 118.74 3e7n h GLU 89 Ca -0.00 -0.25 -0.17 0.00 -0.13 0.00 0.00 59.36 58.81 3e7n h GLU 89 Cb 0.57 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 3e7n h GLU 89 CO 0.04 0.84 -0.58 1.96 -0.73 0.00 0.00 179.01 180.54 3e7n h GLN 90 N 0.58 0.59 -0.36 1.92 4.20 -0.96 -2.89 115.11 118.20 3e7n h GLN 90 Ca 0.12 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 3e7n h GLN 90 Cb 0.51 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 3e7n h GLN 90 CO 0.02 1.00 0.18 1.25 -0.67 0.00 0.00 178.83 180.62 3e7n h LEU 91 N 0.45 0.46 -1.08 1.46 5.85 -0.99 -1.57 115.31 119.89 3e7n h LEU 91 Ca 0.00 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 3e7n h LEU 91 Cb 1.13 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3e7n h LEU 91 CO 0.11 0.45 -0.11 0.06 -0.34 0.00 0.00 178.44 178.61 3e7n h GLN 92 N 0.44 0.53 -0.46 1.25 3.07 -1.31 0.49 115.11 119.14 3e7n h GLN 92 Ca 0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 58.65 58.68 3e7n h GLN 92 Cb 0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.58 3e7n h GLN 92 CO -0.02 0.64 0.16 1.96 0.09 0.00 0.00 178.83 181.66 3e7n h GLN 93 N 0.49 0.69 -0.68 0.06 4.20 -1.27 0.18 115.11 118.78 3e7n h GLN 93 Ca 0.09 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3e7n h GLN 93 Cb 0.48 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3e7n h GLN 93 CO 0.03 0.65 0.22 0.45 -0.67 0.00 0.00 178.83 179.50 3e7n h HIS 94 N 0.60 1.10 0.00 2.96 3.86 -0.68 -2.71 115.15 120.28 3e7n h HIS 94 Ca 0.15 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3e7n h HIS 94 Cb 0.23 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 3e7n h HIS 94 CO 0.01 0.88 -0.10 1.96 0.86 0.00 0.00 177.93 181.54 3e7n h GLN 95 N 1.00 0.00 -0.43 2.45 4.20 -0.74 -3.47 115.11 118.12 3e7n h GLN 95 Ca 0.22 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 3e7n h GLN 95 Cb 0.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 3e7n h GLN 95 CO -0.01 0.10 -0.08 0.41 -0.67 0.00 0.00 178.83 178.58 3e7n n GLY 96 N 0.74 0.27 0.00 3.46 0.00 0.52 -4.97 105.19 105.21 3e7n n GLY 96 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3e7n n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3e7n n ASN 97 N 1.40 0.43 -3.88 1.61 6.94 -0.49 -4.97 115.26 116.30 3e7n n ASN 97 Ca -0.04 -0.71 -0.28 0.00 -0.02 0.00 0.00 54.58 53.54 3e7n n ASN 97 Cb 0.49 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.75 3e7n n ASN 97 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3e7n s THR 98 N -1.43 1.05 -0.27 5.53 -1.32 -1.26 -4.38 115.64 113.55 3e7n s THR 98 Ca 0.00 -0.52 -0.25 0.00 -1.21 0.00 0.00 61.69 59.71 3e7n s THR 98 Cb 0.00 -1.19 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 3e7n s THR 98 CO 0.00 0.18 0.88 -0.63 -2.21 0.00 0.00 174.62 172.84 3e7n s ILE 99 N 1.67 4.75 -0.06 5.08 1.01 -1.26 -4.86 121.20 127.54 3e7n s ILE 99 Ca 0.02 1.55 -0.30 0.00 0.00 0.00 0.00 60.65 61.92 3e7n s ILE 99 Cb -0.15 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 3e7n s ILE 99 CO -0.08 -0.20 1.12 -0.75 0.00 0.00 0.00 174.94 175.04 3e7n s LYS 100 N 3.04 4.39 -0.13 2.79 2.20 -0.86 -4.89 119.74 126.29 3e7n s LYS 100 Ca 0.37 1.58 -0.02 0.00 -0.36 0.00 0.00 55.97 57.53 3e7n s LYS 100 Cb -0.14 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3e7n s LYS 100 CO 0.10 -0.36 -0.04 0.42 -0.36 0.00 0.00 175.35 175.10 3e7n s ILE 101 N 1.97 3.87 0.12 5.43 1.09 -1.26 -0.50 121.20 131.93 3e7n s ILE 101 Ca 0.53 -0.38 -0.03 0.00 -1.10 0.00 0.00 60.65 59.67 3e7n s ILE 101 Cb -0.23 -2.66 -0.03 0.00 -1.06 0.00 0.00 42.46 38.48 3e7n s ILE 101 CO 0.22 0.53 0.09 -0.94 -0.10 0.00 0.00 174.94 174.74 3e7n s SER 102 N -0.04 0.28 -0.01 3.58 1.04 -0.71 -4.98 113.70 112.85 3e7n s SER 102 Ca 0.01 -1.08 0.04 0.00 0.48 0.00 0.00 55.95 55.40 3e7n s SER 102 Cb -0.13 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 3e7n s SER 102 CO 0.03 -0.74 -0.13 -0.31 0.98 0.00 0.00 173.24 173.07 3e7n s TYR 103 N -4.00 1.18 0.26 5.02 2.02 -1.26 -1.40 117.35 119.17 3e7n s TYR 103 Ca 0.19 -0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 3e7n s TYR 103 Cb 0.07 -0.77 -0.05 0.00 -0.40 0.00 0.00 41.96 40.81 3e7n s TYR 103 CO -0.01 -0.04 0.11 0.95 -1.57 0.00 0.00 175.55 174.99 3e7n s THR 104 N -0.22 0.45 0.71 -0.71 -4.23 -0.46 -4.87 115.64 106.30 3e7n s THR 104 Ca 0.03 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.39 3e7n s THR 104 Cb -0.06 -2.60 0.03 0.00 1.34 0.00 0.00 72.50 71.21 3e7n s THR 104 CO -0.00 0.00 1.19 0.42 -0.54 0.00 0.00 174.62 175.69 3e7n s THR 105 N -3.78 2.47 0.29 3.99 -4.23 -1.26 -0.57 115.64 112.55 3e7n s THR 105 Ca 0.38 0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 61.10 3e7n s THR 105 Cb 0.07 -2.82 0.27 0.00 1.34 0.00 0.00 72.50 71.36 3e7n s THR 105 CO 0.14 -0.12 1.94 -0.74 -0.54 0.00 0.00 174.62 175.30 3e7n h HIS 106 N -0.12 1.08 -0.88 3.99 2.76 -1.93 0.55 115.15 120.61 3e7n h HIS 106 Ca -0.48 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 57.77 3e7n h HIS 106 Cb 1.29 -0.36 -0.06 0.00 1.55 0.00 0.00 27.41 29.83 3e7n h HIS 106 CO 0.48 0.64 0.56 0.93 -1.30 0.00 0.00 177.93 179.24 3e7n h GLU 107 N 1.13 1.02 -0.09 5.26 4.39 -2.00 -0.39 114.58 123.89 3e7n h GLU 107 Ca 0.35 -0.06 -0.19 0.00 0.34 0.00 0.00 59.36 59.79 3e7n h GLU 107 Cb -0.01 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.41 3e7n h GLU 107 CO -0.10 0.67 -0.74 0.37 -1.16 0.00 0.00 179.01 178.05 3e7n h GLN 108 N 1.05 0.48 -0.21 2.33 5.75 -1.68 -2.73 115.11 120.11 3e7n h GLN 108 Ca 0.37 -0.39 0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3e7n h GLN 108 Cb 0.10 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 3e7n h GLN 108 CO -0.15 1.03 -0.02 0.35 -2.65 0.00 0.00 178.83 177.39 3e7n h PHE 109 N 0.32 -0.05 -0.91 3.99 3.57 -0.31 -1.16 116.94 122.40 3e7n h PHE 109 Ca -0.04 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.55 3e7n h PHE 109 Cb 1.33 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 40.06 3e7n h PHE 109 CO 0.05 -0.05 0.57 0.87 -2.23 0.00 0.00 178.31 177.52 3e7n h LYS 110 N 0.04 1.00 -0.64 1.11 1.57 -0.98 -1.08 116.57 117.60 3e7n h LYS 110 Ca 0.10 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3e7n h LYS 110 Cb 0.14 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3e7n h LYS 110 CO -0.18 0.66 0.31 0.87 -0.57 0.00 0.00 179.45 180.54 3e7n h LYS 111 N 1.03 0.91 -0.24 3.15 1.57 -1.13 -2.37 116.57 119.49 3e7n h LYS 111 Ca 0.40 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 3e7n h LYS 111 Cb 0.19 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3e7n h LYS 111 CO -0.18 0.72 0.00 -0.07 -0.57 0.00 0.00 179.45 179.36 3e7n h LEU 112 N 0.87 0.33 -2.27 2.94 3.38 -0.14 -1.99 115.31 118.43 3e7n h LEU 112 Ca 0.22 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3e7n h LEU 112 Cb 0.11 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3e7n h LEU 112 CO -0.03 0.39 0.03 0.71 0.09 0.00 0.00 178.44 179.63 3e7n h THR 113 N 0.35 0.69 0.00 0.22 1.35 -0.69 -1.02 112.91 113.81 3e7n h THR 113 Ca 0.08 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.94 3e7n h THR 113 Cb 0.23 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3e7n h THR 113 CO 0.01 0.00 -0.02 0.00 -0.25 0.00 0.00 175.52 175.26 3e7n h ALA 114 N 1.97 1.33 -0.05 6.62 0.00 -1.33 -2.48 119.26 125.32 3e7n h ALA 114 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3e7n h ALA 114 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3e7n h ALA 114 CO -0.00 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.02 3e7n n ASP 115 N -3.58 2.68 -4.85 0.00 8.00 -0.39 -4.62 116.55 113.80 3e7n n ASP 115 Ca -0.03 -1.89 -0.30 0.00 0.71 0.00 0.00 54.79 53.28 3e7n n ASP 115 Cb 0.10 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.25 3e7n n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3e7n s SER 116 N -1.97 5.21 0.16 -2.24 1.04 -0.94 -4.74 113.70 110.22 3e7n s SER 116 Ca 0.31 1.28 0.02 0.00 0.48 0.00 0.00 55.95 58.04 3e7n s SER 116 Cb 0.20 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 64.20 3e7n s SER 116 CO 0.31 -1.51 1.36 1.56 0.98 0.00 0.00 173.24 175.94 3e7n h GLN 117 N -0.77 0.18 -2.39 4.02 1.08 -1.50 -3.44 115.11 112.29 3e7n h GLN 117 Ca -0.45 -0.21 0.01 0.00 -1.45 0.00 0.00 58.65 56.54 3e7n h GLN 117 Cb 1.25 0.06 -0.16 0.00 -0.05 0.00 0.00 27.48 28.58 3e7n h GLN 117 CO 0.61 0.97 0.31 0.00 -0.95 0.00 0.00 178.83 179.76 3e7n s ALA 118 N -3.14 -1.74 -0.21 3.87 0.00 -1.26 -3.43 121.76 115.85 3e7n s ALA 118 Ca -0.03 0.97 -0.03 0.00 0.00 0.00 0.00 51.96 52.88 3e7n s ALA 118 Cb 0.10 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.56 3e7n s ALA 118 CO 0.83 -0.58 -0.08 0.08 0.00 0.00 0.00 175.76 176.00 3e7n s VAL 119 N -2.57 3.04 -0.39 0.00 1.01 -0.29 -1.23 120.40 119.97 3e7n s VAL 119 Ca -0.02 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 3e7n s VAL 119 Cb -0.01 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 34.02 3e7n s VAL 119 CO -0.04 0.45 0.36 -0.63 0.00 0.00 0.00 175.10 175.25 3e7n s ILE 120 N 1.39 5.17 -0.19 2.22 1.01 0.11 -1.10 121.20 129.82 3e7n s ILE 120 Ca 0.05 -0.34 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 3e7n s ILE 120 Cb -0.14 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 3e7n s ILE 120 CO -0.05 -0.28 0.69 -0.60 0.00 0.00 0.00 174.94 174.70 3e7n s ARG 121 N 1.94 4.24 0.58 2.79 3.52 -0.09 -1.31 118.95 130.62 3e7n s ARG 121 Ca 0.09 0.74 0.06 0.00 -0.13 0.00 0.00 55.73 56.50 3e7n s ARG 121 Cb -0.18 -3.58 0.08 0.00 -1.56 0.00 0.00 34.95 29.72 3e7n s ARG 121 CO 0.12 -0.27 0.80 -1.54 -0.81 0.00 0.00 175.30 173.60 3e7n s SER 122 N 1.18 5.03 -0.01 -2.12 1.04 -0.47 -1.89 113.70 116.47 3e7n s SER 122 Ca 0.32 -0.60 0.11 0.00 0.48 0.00 0.00 55.95 56.26 3e7n s SER 122 Cb -0.16 -0.03 0.33 0.00 0.10 0.00 0.00 66.02 66.26 3e7n s SER 122 CO 0.11 -1.35 1.25 0.61 0.98 0.00 0.00 173.24 174.84 3e7n n GLY 123 N -2.32 0.83 3.74 7.32 0.00 0.61 -3.38 105.19 112.00 3e7n n GLY 123 Ca 0.14 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 3e7n n GLY 123 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3e7n s GLU 124 N -1.55 4.19 0.00 1.61 2.56 -1.24 -0.09 118.70 124.19 3e7n s GLU 124 Ca 0.24 2.44 0.10 0.00 0.00 0.00 0.00 54.97 57.76 3e7n s GLU 124 Cb 0.13 -3.07 -0.06 0.00 2.00 0.00 0.00 34.13 33.13 3e7n s GLU 124 CO 0.16 -0.54 0.54 0.00 -0.56 0.00 0.00 175.26 174.85 3e7n s SER 126 N -1.73 4.84 0.28 0.00 1.04 -1.26 -4.99 113.70 111.88 3e7n s SER 126 Ca 0.06 1.61 -0.29 0.00 0.48 0.00 0.00 55.95 57.81 3e7n s SER 126 Cb 0.08 -2.40 -0.09 0.00 0.10 0.00 0.00 66.02 63.71 3e7n s SER 126 CO 0.35 -1.79 1.04 -2.84 0.98 0.00 0.00 173.24 170.98 3e7n s PRO 127 N -5.02 4.66 -1.43 4.02 0.02 -1.26 -3.93 135.00 132.06 3e7n s PRO 127 Ca 0.60 1.66 -0.01 0.00 0.02 0.00 0.00 61.00 63.26 3e7n s PRO 127 Cb -0.15 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.24 3e7n s PRO 127 CO 0.55 0.28 0.13 0.66 -0.33 0.00 0.00 177.00 178.29 3e7n n TYR 128 N 1.14 -1.37 -1.93 6.54 4.01 -1.26 -4.57 117.16 119.71 3e7n n TYR 128 Ca -0.01 0.11 -0.42 0.00 -0.16 0.00 0.00 57.90 57.43 3e7n n TYR 128 Cb 0.46 -3.50 0.00 0.00 -0.31 0.00 0.00 39.34 36.00 3e7n n TYR 128 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3e7n n ALA 129 N -2.44 5.59 -3.39 -0.72 0.00 -1.25 -4.75 120.51 113.54 3e7n n ALA 129 Ca -0.17 -4.03 -0.15 0.00 0.00 0.00 0.00 53.44 49.09 3e7n n ALA 129 Cb 0.64 -3.32 -0.15 0.00 0.00 0.00 0.00 19.45 16.61 3e7n n ALA 129 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3e7n s ASN 130 N 2.27 0.27 0.01 0.00 0.01 -1.26 -1.89 114.94 114.34 3e7n s ASN 130 Ca 0.45 -0.02 0.02 0.00 -0.71 0.00 0.00 52.86 52.61 3e7n s ASN 130 Cb 0.13 -0.12 -0.01 0.00 0.41 0.00 0.00 41.25 41.66 3e7n s ASN 130 CO -0.06 -0.06 -0.07 0.54 -1.51 0.00 0.00 177.10 175.95 3e7n s VAL 131 N 0.63 0.51 -0.27 1.60 0.11 -0.14 -4.50 120.40 118.33 3e7n s VAL 131 Ca -0.06 -0.49 -0.11 0.00 -2.93 0.00 0.00 61.98 58.39 3e7n s VAL 131 Cb -0.09 -0.47 -0.05 0.00 -1.53 0.00 0.00 36.38 34.24 3e7n s VAL 131 CO -0.01 -0.00 0.19 -0.63 -3.33 0.00 0.00 175.10 171.31 3e7n s ILE 132 N -0.47 5.31 -0.21 7.04 1.01 -0.46 -1.55 121.20 131.86 3e7n s ILE 132 Ca -0.01 0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.71 3e7n s ILE 132 Cb -0.04 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 3e7n s ILE 132 CO 0.00 0.26 0.13 -0.76 0.00 0.00 0.00 174.94 174.57 3e7n s LEU 133 N 1.67 4.13 -0.17 2.97 1.43 0.19 -0.76 118.68 128.14 3e7n s LEU 133 Ca 0.07 0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 53.28 3e7n s LEU 133 Cb -0.16 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3e7n s LEU 133 CO 0.10 0.15 0.07 0.00 0.23 0.00 0.00 176.35 176.90 3e7n s ALA 135 N 0.12 3.25 -0.22 0.00 0.00 -0.38 -0.53 121.76 123.99 3e7n s ALA 135 Ca 0.05 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 3e7n s ALA 135 Cb -0.12 -3.37 0.16 0.00 0.00 0.00 0.00 23.12 19.78 3e7n s ALA 135 CO 0.00 -0.29 1.19 0.20 0.00 0.00 0.00 175.76 176.86 3e7n s GLY 136 N 0.96 -0.11 0.15 0.00 0.00 -0.41 -0.75 107.32 107.17 3e7n s GLY 136 Ca 0.54 2.33 0.06 0.00 0.00 0.00 0.00 44.72 47.66 3e7n s GLY 136 CO 0.29 0.99 -0.14 -1.34 0.00 0.00 0.00 173.10 172.90 3e7n s VAL 137 N -1.26 1.43 -2.00 1.40 -7.23 -1.26 -3.70 120.40 107.78 3e7n s VAL 137 Ca 0.05 -1.92 0.27 0.00 -1.81 0.00 0.00 61.98 58.56 3e7n s VAL 137 Cb -0.01 -1.74 0.75 0.00 0.56 0.00 0.00 36.38 35.94 3e7n s VAL 137 CO -0.04 -0.52 1.93 1.07 -0.31 0.00 0.00 175.10 177.24