#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 -2.31 0.00 4.81 -1.26 -5.02 118.16 114.38 3e7n n LYS 2 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.09 3e7n n LYS 2 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 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 3.54 0.00 1.64 1.02 -1.26 -4.85 119.74 119.84 3e7n s LYS 3 Ca 0.00 1.61 0.00 0.00 0.02 0.00 0.00 55.97 57.60 3e7n s LYS 3 Cb 0.00 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 3e7n s LYS 3 CO 0.00 -0.69 0.00 0.41 -0.92 0.00 0.00 175.35 174.15 3e7n n GLY 4 N 0.18 -1.70 0.00 -3.33 0.00 -1.26 -4.82 105.19 94.26 3e7n n GLY 4 Ca 0.10 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.95 2.61 -2.24 -1.26 -4.88 114.28 105.56 3e7n n THR 5 Ca 0.00 -0.41 -0.44 0.00 -2.27 0.00 0.00 64.05 60.93 3e7n n THR 5 Cb 0.00 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.72 4.76 -0.15 2.28 1.01 -1.26 -4.86 120.40 121.46 3e7n s VAL 6 Ca 0.00 -1.56 0.19 0.00 0.00 0.00 0.00 61.98 60.61 3e7n s VAL 6 Cb 0.00 -4.75 -0.11 0.00 0.00 0.00 0.00 36.38 31.52 3e7n s VAL 6 CO 0.00 -1.47 0.85 0.18 0.00 0.00 0.00 175.10 174.66 3e7n n LEU 7 N 6.46 0.80 -4.73 3.92 4.77 -1.26 -4.82 117.00 122.14 3e7n n LEU 7 Ca 0.22 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 56.12 3e7n n LEU 7 Cb 0.49 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 3e7n n LEU 7 CO 0.50 0.05 1.10 0.21 -1.33 0.00 0.00 177.39 177.92 3e7n s ASN 8 N -5.60 6.73 0.15 -1.43 3.84 -1.26 -4.94 114.94 112.44 3e7n s ASN 8 Ca -0.03 2.51 -0.12 0.00 0.21 0.00 0.00 52.86 55.44 3e7n s ASN 8 Cb 0.09 -2.60 0.01 0.00 -0.55 0.00 0.00 41.25 38.19 3e7n s ASN 8 CO 0.81 -0.68 1.57 0.77 -2.79 0.00 0.00 177.10 176.78 3e7n h SER 9 N 5.96 0.91 -0.28 -4.21 4.64 -1.99 -1.40 113.55 117.19 3e7n h SER 9 Ca -0.44 -0.35 -0.18 0.00 -0.47 0.00 0.00 61.79 60.35 3e7n h SER 9 Cb 1.21 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3e7n h SER 9 CO 0.83 1.05 -0.54 -0.33 -0.87 0.00 0.00 176.83 176.97 3e7n h GLU 10 N 0.76 0.86 -0.42 4.77 4.39 -1.99 -1.21 114.58 121.74 3e7n h GLU 10 Ca 0.12 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 3e7n h GLU 10 Cb 0.64 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 3e7n h GLU 10 CO 0.04 1.18 0.23 0.82 -1.16 0.00 0.00 179.01 180.12 3e7n h ILE 11 N 0.63 1.16 -0.67 3.13 2.04 -1.96 -0.25 117.51 121.59 3e7n h ILE 11 Ca 0.01 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.50 3e7n h ILE 11 Cb 1.15 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3e7n h ILE 11 CO 0.12 0.16 0.42 0.28 0.00 0.00 0.00 178.15 179.13 3e7n h SER 12 N 0.55 0.68 0.08 1.72 0.02 -1.17 -1.30 113.55 114.13 3e7n h SER 12 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3e7n h SER 12 Cb 0.06 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.45 3e7n h SER 12 CO -0.02 0.47 -0.04 -1.28 -1.14 0.00 0.00 176.83 174.82 3e7n h SER 13 N 0.82 -0.09 -0.54 3.07 0.87 -0.83 -2.24 113.55 114.62 3e7n h SER 13 Ca 0.27 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3e7n h SER 13 Cb 0.02 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3e7n h SER 13 CO -0.10 0.08 0.22 -0.37 -0.53 0.00 0.00 176.83 176.13 3e7n h VAL 14 N -0.25 1.22 -0.40 2.23 -1.51 -0.77 -2.71 116.25 114.06 3e7n h VAL 14 Ca -0.01 -0.67 -0.03 0.00 -1.23 0.00 0.00 66.70 64.76 3e7n h VAL 14 Cb 0.21 0.65 -0.02 0.00 -2.13 0.00 0.00 31.29 30.01 3e7n h VAL 14 CO 0.02 0.26 0.12 0.40 -1.23 0.00 0.00 177.57 177.13 3e7n h ILE 15 N 0.73 1.17 0.00 7.19 2.04 -1.23 -1.37 117.51 126.05 3e7n h ILE 15 Ca 0.18 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3e7n h ILE 15 Cb 0.19 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3e7n h ILE 15 CO -0.02 0.22 0.00 -1.54 0.00 0.00 0.00 178.15 176.81 3e7n n SER 16 N -4.35 0.49 -0.73 1.72 3.41 -0.85 -2.68 113.62 110.64 3e7n n SER 16 Ca 0.03 0.59 0.06 0.00 -0.26 0.00 0.00 58.87 59.29 3e7n n SER 16 Cb 0.17 -0.70 0.19 0.00 -0.26 0.00 0.00 64.21 63.61 3e7n n SER 16 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3e7n n ARG 17 N -2.01 2.91 -2.36 4.33 1.85 -0.54 -5.00 116.66 115.85 3e7n n ARG 17 Ca 0.04 -2.28 -0.40 0.00 -1.00 0.00 0.00 57.85 54.20 3e7n n ARG 17 Cb 0.29 -1.44 -0.04 0.00 -1.05 0.00 0.00 32.46 30.22 3e7n n ARG 17 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3e7n s LEU 18 N -1.52 4.51 0.50 2.89 1.43 -1.06 -5.07 118.68 120.35 3e7n s LEU 18 Ca 0.29 2.39 0.03 0.00 -1.03 0.00 0.00 54.13 55.81 3e7n s LEU 18 Cb 0.19 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 3e7n s LEU 18 CO 0.14 -0.28 0.09 -0.83 0.23 0.00 0.00 176.35 175.71 3e7n s GLY 19 N -0.66 2.78 0.11 -3.19 0.00 -1.26 -5.05 107.32 100.04 3e7n s GLY 19 Ca 0.47 -0.93 -0.35 0.00 0.00 0.00 0.00 44.72 43.91 3e7n s GLY 19 CO 0.44 -2.11 1.58 1.57 0.00 0.00 0.00 173.10 174.58 3e7n n HIS 20 N -1.32 2.15 -0.20 1.90 -0.00 -1.26 -1.86 115.22 114.62 3e7n n HIS 20 Ca -0.13 0.30 0.00 0.00 0.46 0.00 0.00 57.72 58.36 3e7n n HIS 20 Cb 0.66 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 28.01 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 3.51 0.00 -1.76 3.57 -2.24 0.10 -4.99 114.28 112.47 3e7n n THR 21 Ca 0.18 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.60 3e7n n THR 21 Cb 0.27 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.56 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 -3.77 4.67 0.24 3.42 1.01 -0.78 -4.69 116.67 116.77 3e7n s ASP 22 Ca 0.00 2.56 0.11 0.00 0.71 0.00 0.00 52.55 55.94 3e7n s ASP 22 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 3e7n s ASP 22 CO 0.00 -1.96 -0.19 0.42 0.21 0.00 0.00 175.17 173.65 3e7n s THR 23 N -1.48 2.59 -0.03 -1.27 -4.23 -1.26 -0.93 115.64 109.03 3e7n s THR 23 Ca 0.81 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 3e7n s THR 23 Cb -0.36 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.20 3e7n s THR 23 CO 0.39 -0.28 0.01 -0.22 -0.54 0.00 0.00 174.62 173.98 3e7n s LEU 24 N -3.19 1.12 -0.13 4.79 2.96 -0.24 -1.08 118.68 122.91 3e7n s LEU 24 Ca 0.27 0.00 -0.04 0.00 -0.22 0.00 0.00 54.13 54.14 3e7n s LEU 24 Cb -0.06 -0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.44 3e7n s LEU 24 CO 0.14 -0.11 0.03 -0.69 -1.32 0.00 0.00 176.35 174.39 3e7n s VAL 25 N 1.05 4.52 -0.19 1.68 1.01 -0.46 -0.36 120.40 127.66 3e7n s VAL 25 Ca -0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 3e7n s VAL 25 Cb -0.13 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3e7n s VAL 25 CO -0.02 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 174.89 3e7n s VAL 26 N -0.33 3.56 0.32 2.92 1.01 -0.56 0.18 120.40 127.50 3e7n s VAL 26 Ca 0.08 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3e7n s VAL 26 Cb -0.12 -2.58 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 3e7n s VAL 26 CO 0.02 0.46 0.07 0.00 0.00 0.00 0.00 175.10 175.64 3e7n s ASP 28 N -3.47 3.69 0.32 0.00 1.47 -0.60 -1.19 116.67 116.89 3e7n s ASP 28 Ca 0.36 -0.29 0.25 0.00 1.18 0.00 0.00 52.55 54.06 3e7n s ASP 28 Cb 0.08 0.14 1.12 0.00 -0.34 0.00 0.00 42.92 43.92 3e7n s ASP 28 CO 0.15 -2.33 1.76 0.00 0.68 0.00 0.00 175.17 175.43 3e7n h ALA 29 N -1.02 1.00 -0.01 2.11 0.00 -1.06 -3.11 119.26 117.17 3e7n h ALA 29 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3e7n h ALA 29 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3e7n h ALA 29 CO 0.35 0.00 -0.22 0.41 0.00 0.00 0.00 179.25 179.79 3e7n n GLY 30 N -0.31 -0.13 3.73 0.00 0.00 -1.26 -5.01 105.19 102.21 3e7n n GLY 30 Ca 0.01 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.66 4.41 0.42 0.99 2.96 -1.18 -4.98 118.68 119.64 3e7n s LEU 31 Ca 0.10 2.25 -0.24 0.00 -0.22 0.00 0.00 54.13 56.02 3e7n s LEU 31 Cb 0.09 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 43.10 3e7n s LEU 31 CO 0.28 -0.47 1.10 -2.16 -1.32 0.00 0.00 176.35 173.78 3e7n s PRO 32 N 0.23 4.01 -0.22 0.98 0.04 -1.26 -4.99 135.00 133.79 3e7n s PRO 32 Ca 0.57 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.25 3e7n s PRO 32 Cb -0.34 -2.51 0.03 0.00 0.04 0.00 0.00 34.50 31.72 3e7n s PRO 32 CO 0.35 -0.30 -0.12 0.42 0.04 0.00 0.00 177.00 177.38 3e7n s ILE 33 N -1.59 2.45 0.63 0.56 1.01 -1.26 -5.09 121.20 117.91 3e7n s ILE 33 Ca 0.60 -1.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 3e7n s ILE 33 Cb -0.25 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 3e7n s ILE 33 CO 0.31 0.31 1.25 -2.84 0.00 0.00 0.00 174.94 173.97 3e7n s PRO 34 N 1.28 2.71 0.00 2.79 0.02 -1.26 -4.91 135.00 135.62 3e7n s PRO 34 Ca 0.01 1.93 0.30 0.00 0.02 0.00 0.00 61.00 63.26 3e7n s PRO 34 Cb -0.16 -1.88 1.62 0.00 0.02 0.00 0.00 34.50 34.10 3e7n s PRO 34 CO -0.08 -1.44 2.09 0.27 -0.33 0.00 0.00 177.00 177.51 3e7n n ASN 35 N -1.83 0.00 -0.04 2.53 6.94 -1.26 -2.80 115.26 118.80 3e7n n ASN 35 Ca 0.15 -0.38 0.12 0.00 -0.02 0.00 0.00 54.58 54.45 3e7n n ASN 35 Cb 0.49 -0.21 0.69 0.00 -2.36 0.00 0.00 39.78 38.39 3e7n n ASN 35 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3e7n n SER 36 N -1.21 0.12 -4.09 0.53 3.41 -1.26 -4.85 113.62 106.28 3e7n n SER 36 Ca 0.17 -1.28 -0.14 0.00 -0.26 0.00 0.00 58.87 57.36 3e7n n SER 36 Cb 0.20 -0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.03 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 -1.99 0.65 0.35 6.66 -1.32 -1.12 -4.90 115.64 113.96 3e7n s THR 37 Ca 0.36 -1.18 -0.26 0.00 -1.21 0.00 0.00 61.69 59.39 3e7n s THR 37 Cb 0.17 -0.77 -0.09 0.00 -1.51 0.00 0.00 72.50 70.30 3e7n s THR 37 CO 0.28 -0.39 1.07 0.00 -2.21 0.00 0.00 174.62 173.36 3e7n s ALA 38 N -1.53 3.22 -0.28 11.08 0.00 -1.21 -4.87 121.76 128.17 3e7n s ALA 38 Ca -0.07 0.78 -0.06 0.00 0.00 0.00 0.00 51.96 52.61 3e7n s ALA 38 Cb -0.09 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.75 3e7n s ALA 38 CO 0.00 -0.19 0.05 0.50 0.00 0.00 0.00 175.76 176.13 3e7n s ARG 39 N -2.04 3.10 -0.39 0.00 3.52 -1.26 -0.81 118.95 121.06 3e7n s ARG 39 Ca 0.52 -0.84 -0.04 0.00 -0.13 0.00 0.00 55.73 55.24 3e7n s ARG 39 Cb -0.26 -3.28 0.10 0.00 -1.56 0.00 0.00 34.95 29.94 3e7n s ARG 39 CO 0.33 -0.41 0.18 0.42 -0.81 0.00 0.00 175.30 175.02 3e7n s ILE 40 N 1.47 3.37 0.25 4.11 1.01 -0.15 -4.98 121.20 126.28 3e7n s ILE 40 Ca 0.03 -1.88 -0.01 0.00 0.00 0.00 0.00 60.65 58.78 3e7n s ILE 40 Cb -0.17 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 3e7n s ILE 40 CO 0.01 -0.59 0.46 -0.62 0.00 0.00 0.00 174.94 174.20 3e7n s ASP 41 N 1.79 6.39 0.24 3.58 -1.08 -1.26 -0.60 116.67 125.73 3e7n s ASP 41 Ca 0.06 0.48 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 3e7n s ASP 41 Cb -0.22 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 3e7n s ASP 41 CO -0.03 -0.13 0.00 0.00 0.52 0.00 0.00 175.17 175.54 3e7n n ALA 43 N -0.94 -2.09 -0.12 3.66 0.00 -0.54 -4.94 120.51 115.55 3e7n n ALA 43 Ca -0.04 0.45 -0.22 0.00 0.00 0.00 0.00 53.44 53.64 3e7n n ALA 43 Cb 0.54 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 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 1.46 1.92 0.00 0.00 7.94 -0.09 -4.95 117.00 123.29 3e7n n LEU 44 Ca 0.00 0.38 -0.08 0.00 -1.11 0.00 0.00 56.01 55.20 3e7n n LEU 44 Cb 0.00 -0.84 0.03 0.00 0.53 0.00 0.00 43.42 43.14 3e7n n LEU 44 CO 0.00 0.25 0.53 1.07 -1.11 0.00 0.00 177.39 178.13 3e7n n THR 45 N -4.37 0.00 -1.69 1.96 5.66 -0.99 -5.04 114.28 109.81 3e7n n THR 45 Ca -0.37 -0.94 -0.53 0.00 -3.05 0.00 0.00 64.05 59.16 3e7n n THR 45 Cb 0.71 0.95 -0.06 0.00 -1.55 0.00 0.00 70.33 70.38 3e7n n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3e7n n GLN 46 N -0.53 1.63 -0.97 1.09 3.00 -1.26 -1.24 117.38 119.11 3e7n n GLN 46 Ca -0.08 0.60 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 3e7n n GLN 46 Cb 0.57 -2.35 0.00 0.00 0.00 0.00 0.00 30.24 28.46 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 4.15 0.80 2.83 1.08 0.00 0.30 -4.99 105.19 109.35 3e7n n GLY 47 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.26 0.87 0.64 1.61 1.01 -0.37 -2.83 120.40 118.07 3e7n s VAL 48 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 3e7n s VAL 48 Cb 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3e7n s VAL 48 CO 0.00 0.02 1.04 -2.16 0.00 0.00 0.00 175.10 173.99 3e7n s PRO 49 N 1.72 3.43 0.75 2.72 0.04 -1.26 -0.91 135.00 141.48 3e7n s PRO 49 Ca 0.00 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 61.74 3e7n s PRO 49 Cb -0.16 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.37 3e7n s PRO 49 CO -0.07 -0.71 1.08 -1.54 0.04 0.00 0.00 177.00 175.80 3e7n s SER 50 N -4.04 4.89 0.00 6.66 1.04 -1.13 -0.41 113.70 120.72 3e7n s SER 50 Ca 0.56 1.51 0.00 0.00 0.48 0.00 0.00 55.95 58.50 3e7n s SER 50 Cb -0.12 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.69 3e7n s SER 50 CO 0.54 -1.74 0.00 0.33 0.98 0.00 0.00 173.24 173.35 3e7n n PHE 51 N -3.31 0.00 0.00 5.02 7.35 -1.26 -2.33 117.46 122.93 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 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.37 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 0.44 0.00 -0.05 -4.13 6.02 -1.26 -1.31 117.38 117.08 3e7n n GLN 53 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3e7n n GLN 53 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 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 1.35 -0.38 5.09 2.07 -1.82 -1.92 116.25 120.64 3e7n h VAL 54 Ca 0.00 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 65.88 3e7n h VAL 54 Cb 0.00 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3e7n h VAL 54 CO 0.00 0.50 0.23 0.58 0.02 0.00 0.00 177.57 178.90 3e7n h VAL 55 N 0.17 1.05 0.25 2.57 2.07 -1.48 -0.58 116.25 120.29 3e7n h VAL 55 Ca -0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3e7n h VAL 55 Cb 1.00 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3e7n h VAL 55 CO 0.08 0.08 -0.16 -0.78 0.02 0.00 0.00 177.57 176.82 3e7n h ASP 56 N 0.46 -0.39 -0.44 0.57 3.58 -1.81 -1.38 116.42 117.01 3e7n h ASP 56 Ca 0.15 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 3e7n h ASP 56 Cb -0.00 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 3e7n h ASP 56 CO -0.07 -0.25 0.25 0.58 -2.88 0.00 0.00 179.24 176.88 3e7n h VAL 57 N -0.39 1.15 -0.74 2.25 2.07 -1.19 -2.64 116.25 116.76 3e7n h VAL 57 Ca -0.02 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3e7n h VAL 57 Cb 0.33 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3e7n h VAL 57 CO 0.02 0.16 0.46 0.58 0.02 0.00 0.00 177.57 178.81 3e7n h VAL 58 N 0.58 1.07 0.00 2.57 2.07 -0.98 -2.43 116.25 119.13 3e7n h VAL 58 Ca 0.16 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3e7n h VAL 58 Cb 0.03 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3e7n h VAL 58 CO -0.03 0.16 0.00 0.35 0.02 0.00 0.00 177.57 178.07 3e7n n THR 59 N -4.67 0.29 0.21 2.57 -2.24 -0.53 -2.20 114.28 107.70 3e7n n THR 59 Ca 0.09 0.07 0.07 0.00 -2.27 0.00 0.00 64.05 62.01 3e7n n THR 59 Cb 0.12 -0.66 0.43 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.16 -0.78 3.08 -1.11 -3.44 114.38 110.96 3e7n h ARG 60 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 3e7n h ARG 60 Cb 0.36 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.09 3e7n h ARG 60 CO 0.00 0.31 0.45 0.39 -1.07 0.00 0.00 179.97 180.05 3e7n n GLU 61 N -3.69 2.95 -3.73 0.04 1.02 -0.94 -5.09 120.64 111.20 3e7n n GLU 61 Ca -0.01 -3.60 -0.23 0.00 -0.02 0.00 0.00 57.16 53.30 3e7n n GLU 61 Cb 0.42 -2.28 -0.18 0.00 -0.02 0.00 0.00 31.44 29.38 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 0.39 -0.15 3.49 -1.52 -1.26 -5.07 119.66 111.73 3e7n s GLN 63 Ca 0.59 0.13 -0.03 0.00 -1.95 0.00 0.00 55.36 54.09 3e7n s GLN 63 Cb 0.47 -0.98 -0.03 0.00 -0.22 0.00 0.00 33.01 32.25 3e7n s GLN 63 CO -0.09 -0.36 -0.05 0.08 -0.25 0.00 0.00 175.29 174.63 3e7n s VAL 64 N 2.03 3.78 -0.26 1.09 1.01 -1.24 -1.55 120.40 125.26 3e7n s VAL 64 Ca 0.04 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.73 3e7n s VAL 64 Cb -0.13 -2.65 -0.14 0.00 0.00 0.00 0.00 36.38 33.47 3e7n s VAL 64 CO -0.05 0.50 0.34 -1.84 0.00 0.00 0.00 175.10 174.04 3e7n n GLU 65 N 3.54 2.01 -3.45 2.72 0.28 0.11 -4.69 120.64 121.17 3e7n n GLU 65 Ca -0.17 -0.05 -0.13 0.00 -0.16 0.00 0.00 57.16 56.65 3e7n n GLU 65 Cb 0.52 -1.11 -0.03 0.00 1.43 0.00 0.00 31.44 32.25 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 -2.34 -1.66 -0.01 -1.84 0.00 -1.20 -2.27 121.76 112.44 3e7n s ALA 66 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.70 3e7n s ALA 66 Cb 0.07 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.83 3e7n s ALA 66 CO 0.43 -0.66 -0.01 0.00 0.00 0.00 0.00 175.76 175.52 3e7n s ALA 67 N -3.04 0.23 -0.05 0.00 0.00 0.61 -1.01 121.76 118.50 3e7n s ALA 67 Ca -0.02 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.01 3e7n s ALA 67 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3e7n s ALA 67 CO -0.07 0.00 -0.21 0.42 0.00 0.00 0.00 175.76 175.90 3e7n s ILE 68 N 0.35 2.44 0.09 0.00 1.01 0.21 -1.65 121.20 123.65 3e7n s ILE 68 Ca -0.03 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.70 3e7n s ILE 68 Cb -0.06 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 3e7n s ILE 68 CO -0.01 0.58 -0.08 -0.76 0.00 0.00 0.00 174.94 174.67 3e7n s LEU 69 N -0.44 2.44 0.20 2.97 1.43 -0.40 -1.23 118.68 123.65 3e7n s LEU 69 Ca 0.05 -0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 51.97 3e7n s LEU 69 Cb -0.12 -0.18 -0.08 0.00 0.03 0.00 0.00 46.19 45.84 3e7n s LEU 69 CO 0.01 -0.35 1.00 0.00 0.23 0.00 0.00 176.35 177.24 3e7n s ALA 70 N -2.92 3.33 0.46 4.21 0.00 -1.26 -1.51 121.76 124.08 3e7n s ALA 70 Ca 0.07 0.68 0.16 0.00 0.00 0.00 0.00 51.96 52.87 3e7n s ALA 70 Cb 0.00 -3.27 1.12 0.00 0.00 0.00 0.00 23.12 20.97 3e7n s ALA 70 CO -0.02 0.02 2.01 1.15 0.00 0.00 0.00 175.76 178.92 3e7n h THR 71 N 3.48 0.90 -0.02 0.00 2.02 -1.07 -2.28 112.91 115.93 3e7n h THR 71 Ca -0.45 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 66.64 3e7n h THR 71 Cb 1.21 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3e7n h THR 71 CO 0.70 0.05 0.05 -0.33 0.37 0.00 0.00 175.52 176.36 3e7n h GLU 72 N 0.29 0.00 -0.03 6.66 3.07 -1.92 -2.45 114.58 120.19 3e7n h GLU 72 Ca 0.23 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.03 3e7n h GLU 72 Cb 0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 3e7n h GLU 72 CO -0.05 0.00 -0.25 0.97 -1.40 0.00 0.00 179.01 178.28 3e7n h ILE 73 N 0.00 1.20 0.04 3.13 2.10 -1.69 -1.84 117.51 120.44 3e7n h ILE 73 Ca 0.01 -0.93 0.00 0.00 1.08 0.00 0.00 64.86 65.03 3e7n h ILE 73 Cb 0.11 1.45 -0.01 0.00 -1.09 0.00 0.00 36.82 37.29 3e7n h ILE 73 CO -0.00 0.27 -0.04 0.11 -1.08 0.00 0.00 178.15 177.41 3e7n h LYS 74 N 0.05 -0.09 0.10 2.19 1.57 -1.65 -0.87 116.57 117.88 3e7n h LYS 74 Ca 0.01 0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.50 3e7n h LYS 74 Cb 0.47 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3e7n h LYS 74 CO 0.03 -0.06 -1.50 1.96 -0.57 0.00 0.00 179.45 179.31 3e7n h GLN 75 N -0.09 0.22 -0.00 3.15 1.08 -1.74 -3.33 115.11 114.39 3e7n h GLN 75 Ca 0.01 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 3e7n h GLN 75 Cb 0.10 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3e7n h GLN 75 CO -0.02 1.07 -0.90 1.04 -0.95 0.00 0.00 178.83 179.07 3e7n n GLN 76 N -3.42 0.07 -2.84 1.46 6.02 -0.70 -4.50 117.38 113.47 3e7n n GLN 76 Ca -0.15 -0.06 -0.11 0.00 -0.01 0.00 0.00 57.00 56.67 3e7n n GLN 76 Cb 1.04 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.85 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 -1.41 -0.54 0.04 1.08 2.85 -0.33 -4.67 115.26 112.28 3e7n n ASN 77 Ca 0.05 -3.03 0.01 0.00 -0.11 0.00 0.00 54.58 51.49 3e7n n ASN 77 Cb 0.34 0.49 0.33 0.00 1.24 0.00 0.00 39.78 42.18 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 2.79 0.42 -0.45 1.20 0.13 -1.66 -0.91 132.00 133.53 3e7n h PRO 78 Ca -0.08 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 3e7n h PRO 78 Cb 1.12 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3e7n h PRO 78 CO 0.27 0.49 0.16 0.37 -0.23 0.00 0.00 178.00 179.06 3e7n h GLN 79 N 0.40 0.69 -0.25 0.86 5.75 -1.91 -1.39 115.11 119.26 3e7n h GLN 79 Ca 0.09 -0.14 -0.18 0.00 -0.15 0.00 0.00 58.65 58.27 3e7n h GLN 79 Cb 0.35 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.79 3e7n h GLN 79 CO 0.01 0.65 -0.55 1.25 -2.65 0.00 0.00 178.83 177.54 3e7n h LEU 80 N 0.58 0.91 -0.57 -2.39 5.85 -1.84 -2.24 115.31 115.61 3e7n h LEU 80 Ca 0.15 -0.55 0.12 0.00 0.84 0.00 0.00 57.88 58.43 3e7n h LEU 80 Cb 0.24 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 40.90 3e7n h LEU 80 CO -0.01 1.30 -0.03 -0.74 -0.34 0.00 0.00 178.44 178.62 3e7n h HIS 81 N 0.57 -0.10 -0.30 1.25 2.76 -1.06 0.10 115.15 118.36 3e7n h HIS 81 Ca 0.00 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.14 3e7n h HIS 81 Cb 1.17 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 30.25 3e7n h HIS 81 CO 0.08 -0.17 -0.12 0.93 -1.30 0.00 0.00 177.93 177.34 3e7n h GLU 82 N 0.09 0.62 -0.85 5.26 5.08 -1.14 -1.57 114.58 122.06 3e7n h GLU 82 Ca 0.29 -0.26 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 3e7n h GLU 82 Cb 0.46 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 3e7n h GLU 82 CO -0.52 0.83 0.49 1.15 -1.00 0.00 0.00 179.01 179.97 3e7n h THR 83 N 0.38 0.90 -0.39 1.13 2.02 -0.94 -0.22 112.91 115.79 3e7n h THR 83 Ca 0.07 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 3e7n h THR 83 Cb 0.63 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3e7n h THR 83 CO 0.04 0.15 -0.15 0.25 0.37 0.00 0.00 175.52 176.18 3e7n h LEU 84 N 0.81 0.81 -0.37 2.58 5.85 -0.75 -1.73 115.31 122.51 3e7n h LEU 84 Ca 0.41 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3e7n h LEU 84 Cb 0.39 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3e7n h LEU 84 CO -0.25 1.02 0.16 -0.07 -0.34 0.00 0.00 178.44 178.96 3e7n h LEU 85 N 0.60 0.50 -0.50 2.25 3.38 -0.69 0.32 115.31 121.17 3e7n h LEU 85 Ca 0.09 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3e7n h LEU 85 Cb 0.69 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3e7n h LEU 85 CO 0.05 0.51 0.22 0.74 0.09 0.00 0.00 178.44 180.04 3e7n h THR 86 N 0.45 0.89 -0.67 0.22 2.02 -0.99 0.38 112.91 115.23 3e7n h THR 86 Ca 0.13 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3e7n h THR 86 Cb 0.15 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3e7n h THR 86 CO -0.01 0.08 0.38 -0.74 0.37 0.00 0.00 175.52 175.60 3e7n h HIS 87 N 0.42 0.91 -0.02 3.16 -0.00 -0.95 -1.68 115.15 116.99 3e7n h HIS 87 Ca 0.23 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.51 3e7n h HIS 87 Cb 0.19 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.30 3e7n h HIS 87 CO -0.13 0.63 -0.32 -0.07 -0.00 0.00 0.00 177.93 178.04 3e7n h LEU 88 N 0.91 0.03 -0.51 0.26 3.38 -0.47 -0.15 115.31 118.76 3e7n h LEU 88 Ca 0.24 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 3e7n h LEU 88 Cb 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3e7n h LEU 88 CO -0.04 0.35 0.09 -0.08 0.09 0.00 0.00 178.44 178.86 3e7n h GLU 89 N 0.03 0.85 -0.06 1.13 4.81 -0.18 -1.68 114.58 119.47 3e7n h GLU 89 Ca 0.00 -0.22 -0.21 0.00 -0.13 0.00 0.00 59.36 58.80 3e7n h GLU 89 Cb 0.59 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3e7n h GLU 89 CO 0.04 0.83 -0.82 1.96 -0.73 0.00 0.00 179.01 180.29 3e7n h GLN 90 N 0.73 0.47 -0.42 1.92 4.20 -1.01 -2.83 115.11 118.18 3e7n h GLN 90 Ca 0.16 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 3e7n h GLN 90 Cb 0.39 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3e7n h GLN 90 CO 0.01 1.07 0.23 1.25 -0.67 0.00 0.00 178.83 180.72 3e7n h LEU 91 N 0.30 0.52 -0.95 1.46 5.85 -0.93 -0.65 115.31 120.91 3e7n h LEU 91 Ca -0.05 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 3e7n h LEU 91 Cb 1.42 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3e7n h LEU 91 CO 0.15 0.45 -0.04 0.06 -0.34 0.00 0.00 178.44 178.72 3e7n h GLN 92 N 0.54 0.72 -0.28 1.25 3.07 -1.30 0.14 115.11 119.25 3e7n h GLN 92 Ca 0.15 -0.20 -0.00 0.00 0.09 0.00 0.00 58.65 58.68 3e7n h GLN 92 Cb 0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.52 3e7n h GLN 92 CO -0.02 0.76 0.16 1.96 0.09 0.00 0.00 178.83 181.78 3e7n h GLN 93 N 0.67 0.39 -0.66 0.06 4.20 -1.21 0.31 115.11 118.86 3e7n h GLN 93 Ca 0.13 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3e7n h GLN 93 Cb 0.48 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 3e7n h GLN 93 CO 0.02 0.32 0.20 1.25 -0.67 0.00 0.00 178.83 179.96 3e7n h HIS 94 N 0.34 1.04 0.00 2.96 2.76 -0.56 -2.52 115.15 119.18 3e7n h HIS 94 Ca 0.10 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 3e7n h HIS 94 Cb 0.04 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 3e7n h HIS 94 CO -0.04 0.83 -0.27 1.96 -1.30 0.00 0.00 177.93 179.12 3e7n h GLN 95 N 0.98 0.00 -0.30 5.26 4.20 -0.44 -3.48 115.11 121.32 3e7n h GLN 95 Ca 0.22 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 3e7n h GLN 95 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 3e7n h GLN 95 CO -0.01 0.27 -0.06 0.41 -0.67 0.00 0.00 178.83 178.77 3e7n n GLY 96 N 0.69 0.30 0.00 3.46 0.00 0.10 -4.98 105.19 104.76 3e7n n GLY 96 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 1.57 0.23 -3.87 1.61 6.94 -0.66 -4.98 115.26 116.10 3e7n n ASN 97 Ca -0.03 -0.79 -0.28 0.00 -0.02 0.00 0.00 54.58 53.46 3e7n n ASN 97 Cb 0.48 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.73 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 -1.66 1.04 -0.32 5.53 -1.32 -1.26 -4.38 115.64 113.28 3e7n s THR 98 Ca 0.00 -0.60 -0.28 0.00 -1.21 0.00 0.00 61.69 59.60 3e7n s THR 98 Cb 0.00 -1.24 0.01 0.00 -1.51 0.00 0.00 72.50 69.76 3e7n s THR 98 CO 0.00 0.10 1.02 -0.63 -2.21 0.00 0.00 174.62 172.90 3e7n s ILE 99 N 1.66 4.56 0.00 5.08 1.01 -1.26 -4.87 121.20 127.38 3e7n s ILE 99 Ca 0.01 1.60 -0.30 0.00 0.00 0.00 0.00 60.65 61.96 3e7n s ILE 99 Cb -0.15 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 3e7n s ILE 99 CO -0.08 -0.45 1.08 -0.75 0.00 0.00 0.00 174.94 174.75 3e7n s LYS 100 N 3.52 4.48 -0.12 2.79 2.20 -0.96 -4.88 119.74 126.77 3e7n s LYS 100 Ca 0.43 1.56 -0.01 0.00 -0.36 0.00 0.00 55.97 57.59 3e7n s LYS 100 Cb -0.12 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 3e7n s LYS 100 CO 0.15 -0.19 -0.10 0.42 -0.36 0.00 0.00 175.35 175.27 3e7n s ILE 101 N 1.26 3.31 0.09 5.43 1.09 -1.26 -0.28 121.20 130.83 3e7n s ILE 101 Ca 0.54 -0.58 -0.01 0.00 -1.10 0.00 0.00 60.65 59.51 3e7n s ILE 101 Cb -0.24 -2.40 -0.04 0.00 -1.06 0.00 0.00 42.46 38.73 3e7n s ILE 101 CO 0.27 0.53 0.00 -0.94 -0.10 0.00 0.00 174.94 174.70 3e7n s SER 102 N 0.16 0.48 -0.02 3.58 1.04 -0.66 -4.98 113.70 113.29 3e7n s SER 102 Ca -0.05 -1.08 0.05 0.00 0.48 0.00 0.00 55.95 55.34 3e7n s SER 102 Cb -0.15 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 3e7n s SER 102 CO 0.04 -0.64 -0.17 -0.31 0.98 0.00 0.00 173.24 173.14 3e7n s TYR 103 N -3.95 1.58 0.27 5.02 2.02 -1.26 -1.28 117.35 119.77 3e7n s TYR 103 Ca 0.14 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 3e7n s TYR 103 Cb 0.08 -1.04 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 3e7n s TYR 103 CO -0.05 -0.07 0.12 0.95 -1.57 0.00 0.00 175.55 174.94 3e7n s THR 104 N -0.27 0.42 0.71 -0.71 -4.23 -0.57 -4.88 115.64 106.12 3e7n s THR 104 Ca 0.04 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.39 3e7n s THR 104 Cb -0.08 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.21 3e7n s THR 104 CO 0.00 0.00 1.22 0.42 -0.54 0.00 0.00 174.62 175.72 3e7n s THR 105 N -3.73 2.28 0.32 3.99 -4.23 -1.26 -0.46 115.64 112.55 3e7n s THR 105 Ca 0.37 0.14 0.02 0.00 -1.18 0.00 0.00 61.69 61.04 3e7n s THR 105 Cb 0.07 -2.78 0.19 0.00 1.34 0.00 0.00 72.50 71.32 3e7n s THR 105 CO 0.15 -0.07 1.91 -0.74 -0.54 0.00 0.00 174.62 175.33 3e7n h HIS 106 N -0.13 0.74 -0.95 3.99 2.76 -1.93 -0.18 115.15 119.45 3e7n h HIS 106 Ca -0.48 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 57.66 3e7n h HIS 106 Cb 1.30 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.99 3e7n h HIS 106 CO 0.46 0.58 0.63 0.93 -1.30 0.00 0.00 177.93 179.23 3e7n h GLU 107 N 0.73 1.25 -0.16 5.26 4.39 -2.00 -0.87 114.58 123.18 3e7n h GLU 107 Ca 0.17 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.62 3e7n h GLU 107 Cb 0.17 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3e7n h GLU 107 CO -0.01 0.83 -0.64 0.37 -1.16 0.00 0.00 179.01 178.39 3e7n h GLN 108 N 1.29 0.59 -0.27 2.33 5.75 -1.74 -2.85 115.11 120.21 3e7n h GLN 108 Ca 0.35 -0.42 0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3e7n h GLN 108 Cb -0.15 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 3e7n h GLN 108 CO -0.07 1.04 0.06 0.35 -2.65 0.00 0.00 178.83 177.56 3e7n h PHE 109 N 0.43 0.11 -0.84 3.99 3.57 -0.64 -1.02 116.94 122.54 3e7n h PHE 109 Ca -0.01 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.57 3e7n h PHE 109 Cb 1.22 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.89 3e7n h PHE 109 CO 0.05 0.03 0.51 0.87 -2.23 0.00 0.00 178.31 177.55 3e7n h LYS 110 N 0.17 0.90 -0.64 1.11 1.57 -1.10 -1.50 116.57 117.09 3e7n h LYS 110 Ca 0.12 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3e7n h LYS 110 Cb 0.12 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3e7n h LYS 110 CO -0.16 0.60 0.31 0.87 -0.57 0.00 0.00 179.45 180.49 3e7n h LYS 111 N 0.93 0.92 -0.22 3.15 1.57 -1.20 -2.39 116.57 119.33 3e7n h LYS 111 Ca 0.37 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3e7n h LYS 111 Cb 0.20 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3e7n h LYS 111 CO -0.18 0.73 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.35 3e7n h LEU 112 N 0.88 0.30 -2.25 2.94 3.38 -0.47 -2.16 115.31 117.93 3e7n h LEU 112 Ca 0.22 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3e7n h LEU 112 Cb 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3e7n h LEU 112 CO -0.03 0.36 -0.00 0.71 0.09 0.00 0.00 178.44 179.57 3e7n h THR 113 N 0.32 0.74 0.00 0.22 1.35 -0.76 -1.26 112.91 113.52 3e7n h THR 113 Ca 0.07 -0.02 -0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3e7n h THR 113 Cb 0.23 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3e7n h THR 113 CO 0.01 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 175.27 3e7n h ALA 114 N 2.00 1.06 -0.02 6.62 0.00 -1.39 -2.26 119.26 125.27 3e7n h ALA 114 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3e7n h ALA 114 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3e7n h ALA 114 CO 0.00 0.01 -0.14 -0.25 0.00 0.00 0.00 179.25 178.88 3e7n n ASP 115 N -3.19 2.27 -4.89 0.00 8.00 -0.47 -4.60 116.55 113.67 3e7n n ASP 115 Ca -0.02 -1.67 -0.30 0.00 0.71 0.00 0.00 54.79 53.51 3e7n n ASP 115 Cb 0.14 0.12 0.06 0.00 -0.02 0.00 0.00 41.12 41.43 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 -2.16 5.08 0.15 -2.24 1.04 -0.85 -4.72 113.70 110.00 3e7n s SER 116 Ca 0.28 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.72 3e7n s SER 116 Cb 0.20 -1.70 -0.06 0.00 0.10 0.00 0.00 66.02 64.56 3e7n s SER 116 CO 0.39 -1.56 1.34 1.56 0.98 0.00 0.00 173.24 175.95 3e7n h GLN 117 N -0.81 0.25 -2.20 4.02 1.08 -1.43 -3.44 115.11 112.57 3e7n h GLN 117 Ca -0.45 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 56.45 3e7n h GLN 117 Cb 1.28 0.09 -0.18 0.00 -0.05 0.00 0.00 27.48 28.62 3e7n h GLN 117 CO 0.64 1.01 0.28 0.00 -0.95 0.00 0.00 178.83 179.82 3e7n s ALA 118 N -3.16 -1.76 -0.20 3.87 0.00 -1.26 -3.31 121.76 115.94 3e7n s ALA 118 Ca -0.04 1.13 -0.02 0.00 0.00 0.00 0.00 51.96 53.03 3e7n s ALA 118 Cb 0.10 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3e7n s ALA 118 CO 0.84 -0.49 -0.10 0.08 0.00 0.00 0.00 175.76 176.09 3e7n s VAL 119 N -2.00 2.89 -0.35 0.00 1.01 0.01 -1.36 120.40 120.60 3e7n s VAL 119 Ca -0.05 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3e7n s VAL 119 Cb -0.00 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 3e7n s VAL 119 CO 0.01 0.47 0.23 -0.63 0.00 0.00 0.00 175.10 175.19 3e7n s ILE 120 N 1.31 5.11 -0.23 2.22 1.01 0.13 -0.98 121.20 129.78 3e7n s ILE 120 Ca 0.04 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 3e7n s ILE 120 Cb -0.14 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3e7n s ILE 120 CO -0.06 -0.07 0.49 -0.60 0.00 0.00 0.00 174.94 174.71 3e7n s ARG 121 N 1.68 4.13 0.59 2.79 3.52 0.24 -1.38 118.95 130.53 3e7n s ARG 121 Ca 0.05 0.32 0.04 0.00 -0.13 0.00 0.00 55.73 56.01 3e7n s ARG 121 Cb -0.18 -3.60 0.08 0.00 -1.56 0.00 0.00 34.95 29.69 3e7n s ARG 121 CO 0.09 -0.22 0.82 -1.54 -0.81 0.00 0.00 175.30 173.65 3e7n s SER 122 N 1.32 4.97 0.00 -2.12 1.04 -0.34 -1.46 113.70 117.11 3e7n s SER 122 Ca 0.21 -0.46 0.13 0.00 0.48 0.00 0.00 55.95 56.32 3e7n s SER 122 Cb -0.15 -0.18 0.48 0.00 0.10 0.00 0.00 66.02 66.27 3e7n s SER 122 CO 0.09 -1.39 1.36 0.61 0.98 0.00 0.00 173.24 174.89 3e7n n GLY 123 N -2.40 0.14 3.74 7.32 0.00 0.45 -3.33 105.19 111.11 3e7n n GLY 123 Ca 0.13 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.72 4.13 -0.00 1.61 2.56 -1.24 -0.54 118.70 123.50 3e7n s GLU 124 Ca 0.23 2.56 0.12 0.00 0.00 0.00 0.00 54.97 57.89 3e7n s GLU 124 Cb 0.12 -3.04 -0.13 0.00 2.00 0.00 0.00 34.13 33.08 3e7n s GLU 124 CO 0.17 -0.64 0.52 0.00 -0.56 0.00 0.00 175.26 174.75 3e7n s SER 126 N -2.17 3.68 0.27 0.00 1.04 -1.26 -4.99 113.70 110.26 3e7n s SER 126 Ca 0.05 1.31 -0.29 0.00 0.48 0.00 0.00 55.95 57.50 3e7n s SER 126 Cb 0.09 -1.99 -0.09 0.00 0.10 0.00 0.00 66.02 64.13 3e7n s SER 126 CO 0.51 -2.48 0.97 -2.84 0.98 0.00 0.00 173.24 170.37 3e7n s PRO 127 N -5.06 4.76 -1.44 4.02 0.02 -1.26 -4.06 135.00 131.98 3e7n s PRO 127 Ca 0.63 1.51 -0.04 0.00 0.02 0.00 0.00 61.00 63.12 3e7n s PRO 127 Cb -0.16 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.21 3e7n s PRO 127 CO 0.56 0.41 0.33 0.66 -0.33 0.00 0.00 177.00 178.63 3e7n n TYR 128 N 1.24 -1.62 -2.08 6.54 4.01 -1.26 -4.57 117.16 119.42 3e7n n TYR 128 Ca -0.01 0.30 -0.42 0.00 -0.16 0.00 0.00 57.90 57.60 3e7n n TYR 128 Cb 0.47 -3.69 0.00 0.00 -0.31 0.00 0.00 39.34 35.82 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 -2.96 5.50 -3.01 -0.72 0.00 -1.26 -4.73 120.51 113.33 3e7n n ALA 129 Ca -0.13 -4.13 -0.15 0.00 0.00 0.00 0.00 53.44 49.04 3e7n n ALA 129 Cb 0.61 -3.20 -0.15 0.00 0.00 0.00 0.00 19.45 16.72 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 1.77 0.33 0.00 0.00 0.01 -1.26 -1.56 114.94 114.24 3e7n s ASN 130 Ca 0.43 -0.04 -0.00 0.00 -0.71 0.00 0.00 52.86 52.53 3e7n s ASN 130 Cb 0.12 -0.07 -0.00 0.00 0.41 0.00 0.00 41.25 41.70 3e7n s ASN 130 CO -0.04 0.00 0.00 0.54 -1.51 0.00 0.00 177.10 176.10 3e7n s VAL 131 N 0.17 0.03 -0.27 1.60 0.11 0.15 -4.54 120.40 117.64 3e7n s VAL 131 Ca -0.01 -0.22 -0.11 0.00 -2.93 0.00 0.00 61.98 58.70 3e7n s VAL 131 Cb -0.04 -0.09 -0.05 0.00 -1.53 0.00 0.00 36.38 34.68 3e7n s VAL 131 CO -0.00 -0.12 0.18 -0.63 -3.33 0.00 0.00 175.10 171.20 3e7n s ILE 132 N -0.36 5.30 -0.17 7.04 1.01 -0.37 -1.49 121.20 132.16 3e7n s ILE 132 Ca -0.04 0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 3e7n s ILE 132 Cb -0.03 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 3e7n s ILE 132 CO -0.00 0.27 0.11 -0.76 0.00 0.00 0.00 174.94 174.55 3e7n s LEU 133 N 1.65 4.12 -0.17 2.97 1.43 0.52 -0.62 118.68 128.58 3e7n s LEU 133 Ca 0.07 0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 3e7n s LEU 133 Cb -0.16 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 3e7n s LEU 133 CO 0.10 0.25 0.01 0.00 0.23 0.00 0.00 176.35 176.94 3e7n s ALA 135 N 0.32 3.31 -0.23 0.00 0.00 -0.11 -0.71 121.76 124.34 3e7n s ALA 135 Ca -0.00 0.71 -0.32 0.00 0.00 0.00 0.00 51.96 52.35 3e7n s ALA 135 Cb -0.13 -3.35 0.16 0.00 0.00 0.00 0.00 23.12 19.80 3e7n s ALA 135 CO 0.02 -0.21 1.25 0.20 0.00 0.00 0.00 175.76 177.02 3e7n s GLY 136 N 0.36 -0.12 0.16 0.00 0.00 -0.59 -0.72 107.32 106.40 3e7n s GLY 136 Ca 0.51 2.22 0.04 0.00 0.00 0.00 0.00 44.72 47.49 3e7n s GLY 136 CO 0.31 0.87 -0.07 -1.34 0.00 0.00 0.00 173.10 172.87 3e7n s VAL 137 N -1.58 1.04 0.30 1.40 -7.23 -1.26 -3.60 120.40 109.47 3e7n s VAL 137 Ca 0.08 -2.03 -0.25 0.00 -1.81 0.00 0.00 61.98 57.96 3e7n s VAL 137 Cb -0.01 -1.93 -0.10 0.00 0.56 0.00 0.00 36.38 34.90 3e7n s VAL 137 CO -0.05 -0.67 0.91 -0.89 -0.31 0.00 0.00 175.10 174.09 3e7n s THR 138 N -3.41 4.26 0.00 5.32 2.01 -1.26 -5.09 115.64 117.47 3e7n s THR 138 Ca 0.19 1.75 0.00 0.00 0.31 0.00 0.00 61.69 63.93 3e7n s THR 138 Cb 0.04 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.55 3e7n s THR 138 CO 0.01 0.17 0.00 2.22 -0.69 0.00 0.00 174.62 176.33