#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 -5.19 120.51 119.26 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 -2.15 0.00 4.81 -1.26 -5.04 118.16 114.51 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 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 3.66 0.00 1.64 1.02 -1.26 -4.82 119.74 119.99 3e7n s LYS 3 Ca 0.00 1.89 0.00 0.00 0.02 0.00 0.00 55.97 57.88 3e7n s LYS 3 Cb 0.00 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 3e7n s LYS 3 CO 0.00 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.18 3e7n n GLY 4 N 0.52 -1.48 0.00 -3.33 0.00 -1.26 -4.83 105.19 94.81 3e7n n GLY 4 Ca 0.08 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.96 2.61 -2.24 -1.26 -4.87 114.28 105.56 3e7n n THR 5 Ca 0.00 -0.37 -0.44 0.00 -2.27 0.00 0.00 64.05 60.97 3e7n n THR 5 Cb 0.00 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.38 4.67 -0.15 2.28 1.01 -1.26 -4.87 120.40 121.70 3e7n s VAL 6 Ca 0.00 -1.19 0.20 0.00 0.00 0.00 0.00 61.98 60.99 3e7n s VAL 6 Cb 0.00 -4.69 -0.13 0.00 0.00 0.00 0.00 36.38 31.55 3e7n s VAL 6 CO 0.00 -1.41 0.78 0.18 0.00 0.00 0.00 175.10 174.65 3e7n n LEU 7 N 6.71 0.64 -4.73 3.92 4.32 -1.26 -4.83 117.00 121.78 3e7n n LEU 7 Ca 0.10 0.27 -0.42 0.00 -0.02 0.00 0.00 56.01 55.94 3e7n n LEU 7 Cb 0.47 0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 42.29 3e7n n LEU 7 CO 0.55 0.03 1.04 0.21 -1.22 0.00 0.00 177.39 178.01 3e7n s ASN 8 N -5.40 6.82 0.16 -1.43 2.47 -1.26 -4.93 114.94 111.37 3e7n s ASN 8 Ca -0.04 2.42 -0.12 0.00 0.42 0.00 0.00 52.86 55.55 3e7n s ASN 8 Cb 0.10 -2.60 0.04 0.00 -1.45 0.00 0.00 41.25 37.33 3e7n s ASN 8 CO 0.82 -0.62 1.63 0.77 -3.72 0.00 0.00 177.10 175.99 3e7n h SER 9 N 5.96 0.88 -0.26 -4.21 4.64 -1.99 -1.20 113.55 117.38 3e7n h SER 9 Ca -0.44 -0.28 -0.19 0.00 -0.47 0.00 0.00 61.79 60.41 3e7n h SER 9 Cb 1.21 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3e7n h SER 9 CO 0.82 0.94 -0.59 -0.33 -0.87 0.00 0.00 176.83 176.80 3e7n h GLU 10 N 0.79 0.85 -0.45 4.77 4.39 -1.99 -1.04 114.58 121.91 3e7n h GLU 10 Ca 0.16 -0.57 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 3e7n h GLU 10 Cb 0.46 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 3e7n h GLU 10 CO 0.02 1.20 0.07 0.82 -1.16 0.00 0.00 179.01 179.96 3e7n h ILE 11 N 0.62 1.25 -0.63 3.13 2.04 -1.95 -0.14 117.51 121.83 3e7n h ILE 11 Ca -0.00 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 3e7n h ILE 11 Cb 1.21 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3e7n h ILE 11 CO 0.13 0.32 0.38 0.28 0.00 0.00 0.00 178.15 179.26 3e7n h SER 12 N 0.60 0.75 0.41 1.72 0.02 -1.16 -1.37 113.55 114.53 3e7n h SER 12 Ca 0.14 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3e7n h SER 12 Cb 0.39 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3e7n h SER 12 CO 0.01 0.59 -0.23 -1.28 -1.14 0.00 0.00 176.83 174.78 3e7n h SER 13 N 0.85 -0.56 -0.64 3.07 0.87 -0.89 -2.11 113.55 114.14 3e7n h SER 13 Ca 0.23 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3e7n h SER 13 Cb -0.03 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3e7n h SER 13 CO -0.04 -0.37 0.39 0.58 -0.53 0.00 0.00 176.83 176.86 3e7n h VAL 14 N -0.60 1.19 -0.77 2.23 2.07 -0.88 -2.77 116.25 116.72 3e7n h VAL 14 Ca -0.05 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3e7n h VAL 14 Cb 0.48 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3e7n h VAL 14 CO 0.07 0.19 0.46 0.40 0.02 0.00 0.00 177.57 178.71 3e7n h ILE 15 N 0.87 1.21 0.00 4.57 2.04 -1.17 -0.48 117.51 124.56 3e7n h ILE 15 Ca 0.23 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3e7n h ILE 15 Cb -0.03 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 3e7n h ILE 15 CO -0.04 0.23 0.00 -1.54 0.00 0.00 0.00 178.15 176.79 3e7n n SER 16 N -4.38 0.54 -0.37 1.72 3.41 -0.80 -2.43 113.62 111.30 3e7n n SER 16 Ca 0.08 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 3e7n n SER 16 Cb 0.07 -0.73 0.28 0.00 -0.26 0.00 0.00 64.21 63.57 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 -2.06 1.09 -2.55 4.33 1.74 -0.21 -4.98 116.66 114.02 3e7n n ARG 17 Ca 0.04 -0.74 -0.41 0.00 -0.77 0.00 0.00 57.85 55.97 3e7n n ARG 17 Cb 0.28 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.42 4.55 0.49 0.55 1.43 -1.02 -5.06 118.68 117.19 3e7n s LEU 18 Ca 0.24 2.12 0.04 0.00 -1.03 0.00 0.00 54.13 55.51 3e7n s LEU 18 Cb 0.19 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 3e7n s LEU 18 CO 0.51 -0.11 0.13 -0.83 0.23 0.00 0.00 176.35 176.28 3e7n s GLY 19 N -0.61 2.68 0.17 -3.19 0.00 -1.26 -5.05 107.32 100.06 3e7n s GLY 19 Ca 0.46 -1.14 -0.34 0.00 0.00 0.00 0.00 44.72 43.70 3e7n s GLY 19 CO 0.37 -2.07 1.53 1.57 0.00 0.00 0.00 173.10 174.49 3e7n n HIS 20 N -1.34 2.20 -0.06 1.90 -0.00 -1.26 -1.54 115.22 115.11 3e7n n HIS 20 Ca -0.10 0.33 0.00 0.00 0.46 0.00 0.00 57.72 58.41 3e7n n HIS 20 Cb 0.66 -2.51 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 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 3.09 0.00 -1.80 3.57 -2.24 -0.02 -4.99 114.28 111.89 3e7n n THR 21 Ca 0.16 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.58 3e7n n THR 21 Cb 0.28 -0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.57 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 -3.80 4.77 0.22 3.42 1.01 -0.59 -4.68 116.67 117.03 3e7n s ASP 22 Ca 0.00 2.50 0.12 0.00 0.71 0.00 0.00 52.55 55.87 3e7n s ASP 22 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 3e7n s ASP 22 CO 0.00 -1.88 -0.22 0.42 0.21 0.00 0.00 175.17 173.69 3e7n s THR 23 N -1.56 2.38 -0.02 -1.27 -4.23 -1.26 -1.03 115.64 108.65 3e7n s THR 23 Ca 0.79 -2.16 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 3e7n s THR 23 Cb -0.34 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.34 3e7n s THR 23 CO 0.38 -0.22 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.98 3e7n s LEU 24 N -2.96 1.55 -0.11 4.79 2.96 -0.31 -1.08 118.68 123.51 3e7n s LEU 24 Ca 0.24 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.04 3e7n s LEU 24 Cb -0.07 -0.30 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 3e7n s LEU 24 CO 0.11 -0.02 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.41 3e7n s VAL 25 N 0.54 4.06 -0.20 1.68 1.01 -0.39 -0.41 120.40 126.70 3e7n s VAL 25 Ca -0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 3e7n s VAL 25 Cb -0.09 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 3e7n s VAL 25 CO -0.00 0.55 -0.06 -0.69 0.00 0.00 0.00 175.10 174.90 3e7n s VAL 26 N -0.32 3.36 0.35 2.92 1.01 -0.51 0.23 120.40 127.44 3e7n s VAL 26 Ca 0.06 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.57 3e7n s VAL 26 Cb -0.12 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.69 3e7n s VAL 26 CO 0.02 0.45 0.05 0.00 0.00 0.00 0.00 175.10 175.62 3e7n s ASP 28 N -3.54 3.96 0.31 0.00 1.47 -0.72 -1.11 116.67 117.03 3e7n s ASP 28 Ca 0.36 -0.25 0.25 0.00 1.18 0.00 0.00 52.55 54.08 3e7n s ASP 28 Cb 0.09 -0.00 1.09 0.00 -0.34 0.00 0.00 42.92 43.76 3e7n s ASP 28 CO 0.16 -2.14 1.74 0.00 0.68 0.00 0.00 175.17 175.61 3e7n h ALA 29 N -0.85 1.00 -0.01 2.11 0.00 -1.06 -3.04 119.26 117.40 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 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3e7n h ALA 29 CO 0.38 0.00 -0.03 0.41 0.00 0.00 0.00 179.25 180.01 3e7n n GLY 30 N -0.27 -0.27 3.73 0.00 0.00 -1.26 -5.02 105.19 102.09 3e7n n GLY 30 Ca 0.01 -0.33 -0.42 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 -1.06 4.41 0.41 0.99 2.96 -1.15 -5.00 118.68 120.24 3e7n s LEU 31 Ca 0.13 2.25 -0.24 0.00 -0.22 0.00 0.00 54.13 56.05 3e7n s LEU 31 Cb 0.10 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 43.10 3e7n s LEU 31 CO 0.16 -0.49 1.09 -2.16 -1.32 0.00 0.00 176.35 173.63 3e7n s PRO 32 N 0.33 4.05 -0.22 0.98 0.04 -1.26 -5.00 135.00 133.92 3e7n s PRO 32 Ca 0.57 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 3e7n s PRO 32 Cb -0.34 -2.53 0.01 0.00 0.04 0.00 0.00 34.50 31.69 3e7n s PRO 32 CO 0.34 -0.26 -0.09 0.42 0.04 0.00 0.00 177.00 177.45 3e7n s ILE 33 N -1.60 2.83 0.55 0.56 1.01 -1.26 -5.09 121.20 118.20 3e7n s ILE 33 Ca 0.59 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 60.24 3e7n s ILE 33 Cb -0.25 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 3e7n s ILE 33 CO 0.31 0.38 1.19 -2.84 0.00 0.00 0.00 174.94 173.98 3e7n s PRO 34 N 1.37 3.23 0.01 2.79 0.02 -1.26 -4.92 135.00 136.24 3e7n s PRO 34 Ca 0.04 1.80 0.21 0.00 0.02 0.00 0.00 61.00 63.06 3e7n s PRO 34 Cb -0.15 -2.06 0.89 0.00 0.02 0.00 0.00 34.50 33.20 3e7n s PRO 34 CO -0.06 -0.99 1.67 0.27 -0.33 0.00 0.00 177.00 177.55 3e7n n ASN 35 N -1.27 0.04 0.00 2.53 0.23 -1.26 -2.49 115.26 113.04 3e7n n ASN 35 Ca 0.12 0.51 0.09 0.00 -0.53 0.00 0.00 54.58 54.77 3e7n n ASN 35 Cb 0.49 -0.52 0.54 0.00 -2.08 0.00 0.00 39.78 38.22 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 -1.54 0.00 -4.08 0.53 3.41 -1.26 -4.79 113.62 105.89 3e7n n SER 36 Ca 0.05 -1.01 -0.12 0.00 -0.26 0.00 0.00 58.87 57.52 3e7n n SER 36 Cb 0.25 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.56 0.28 6.66 -1.32 -1.04 -4.91 115.64 113.88 3e7n s THR 37 Ca 0.28 -1.26 -0.29 0.00 -1.21 0.00 0.00 61.69 59.20 3e7n s THR 37 Cb 0.13 -0.83 -0.10 0.00 -1.51 0.00 0.00 72.50 70.19 3e7n s THR 37 CO 0.21 -0.49 1.17 0.00 -2.21 0.00 0.00 174.62 173.30 3e7n s ALA 38 N -1.87 3.44 -0.28 11.08 0.00 -1.21 -4.87 121.76 128.04 3e7n s ALA 38 Ca -0.05 1.00 -0.07 0.00 0.00 0.00 0.00 51.96 52.84 3e7n s ALA 38 Cb -0.07 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3e7n s ALA 38 CO -0.01 -0.31 0.07 0.50 0.00 0.00 0.00 175.76 176.01 3e7n s ARG 39 N -1.42 3.18 -0.39 0.00 3.52 -1.26 -0.73 118.95 121.84 3e7n s ARG 39 Ca 0.46 -0.79 -0.04 0.00 -0.13 0.00 0.00 55.73 55.23 3e7n s ARG 39 Cb -0.34 -3.33 0.09 0.00 -1.56 0.00 0.00 34.95 29.81 3e7n s ARG 39 CO 0.44 -0.39 0.19 0.42 -0.81 0.00 0.00 175.30 175.14 3e7n s ILE 40 N 1.51 3.49 0.25 4.11 1.01 -0.41 -4.98 121.20 126.18 3e7n s ILE 40 Ca 0.03 -1.78 -0.03 0.00 0.00 0.00 0.00 60.65 58.87 3e7n s ILE 40 Cb -0.17 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 3e7n s ILE 40 CO 0.02 -0.55 0.48 -0.62 0.00 0.00 0.00 174.94 174.26 3e7n s ASP 41 N 1.83 6.42 0.17 3.58 -1.08 -1.26 -0.89 116.67 125.44 3e7n s ASP 41 Ca 0.05 0.57 0.00 0.00 -0.52 0.00 0.00 52.55 52.64 3e7n s ASP 41 Cb -0.22 -2.08 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 3e7n s ASP 41 CO -0.02 -0.13 0.00 0.00 0.52 0.00 0.00 175.17 175.54 3e7n n ALA 43 N -0.82 -2.22 -0.10 3.66 0.00 -0.76 -4.95 120.51 115.34 3e7n n ALA 43 Ca -0.03 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.65 3e7n n ALA 43 Cb 0.54 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.64 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 1.57 1.87 -3.82 0.00 7.94 -0.26 -4.94 117.00 119.36 3e7n n LEU 44 Ca 0.00 0.47 -0.09 0.00 -1.11 0.00 0.00 56.01 55.29 3e7n n LEU 44 Cb 0.00 -0.88 0.02 0.00 0.53 0.00 0.00 43.42 43.09 3e7n n LEU 44 CO 0.00 -0.02 0.52 0.28 -1.11 0.00 0.00 177.39 177.06 3e7n s THR 45 N -2.42 0.00 -0.18 1.96 -1.32 -1.04 -5.04 115.64 107.59 3e7n s THR 45 Ca -0.25 -1.01 -0.38 0.00 -1.21 0.00 0.00 61.69 58.84 3e7n s THR 45 Cb 0.06 -2.80 -0.15 0.00 -1.51 0.00 0.00 72.50 68.10 3e7n s THR 45 CO 0.42 0.00 1.74 0.00 -2.21 0.00 0.00 174.62 174.57 3e7n n GLN 46 N -0.52 1.44 -0.93 7.08 3.00 -1.26 -1.10 117.38 125.08 3e7n n GLN 46 Ca -0.08 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 3e7n n GLN 46 Cb 0.60 -2.25 0.00 0.00 0.00 0.00 0.00 30.24 28.59 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 4.07 0.68 2.87 1.08 0.00 0.91 -4.98 105.19 109.82 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 -2.94 1.06 0.67 1.61 1.01 -0.26 -2.94 120.40 118.62 3e7n s VAL 48 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 3e7n s VAL 48 Cb 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3e7n s VAL 48 CO 0.00 0.08 1.07 -2.16 0.00 0.00 0.00 175.10 174.09 3e7n s PRO 49 N 1.65 3.14 0.73 2.72 0.04 -1.26 -1.10 135.00 140.91 3e7n s PRO 49 Ca 0.00 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.51 3e7n s PRO 49 Cb -0.16 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.37 3e7n s PRO 49 CO -0.07 -0.86 1.07 -1.54 0.04 0.00 0.00 177.00 175.64 3e7n s SER 50 N -4.28 5.11 0.00 6.66 1.04 -1.15 -0.24 113.70 120.84 3e7n s SER 50 Ca 0.57 1.45 0.00 0.00 0.48 0.00 0.00 55.95 58.45 3e7n s SER 50 Cb -0.11 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.73 3e7n s SER 50 CO 0.53 -1.59 0.00 0.33 0.98 0.00 0.00 173.24 173.48 3e7n n PHE 51 N -3.21 0.00 0.00 5.02 7.35 -1.26 -2.42 117.46 122.95 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 -1.05 117.38 117.29 3e7n n GLN 53 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 3e7n n GLN 53 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 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 -0.52 5.09 2.07 -1.84 -1.68 116.25 120.72 3e7n h VAL 54 Ca 0.00 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.41 3e7n h VAL 54 Cb 0.00 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3e7n h VAL 54 CO 0.00 0.32 0.29 0.58 0.02 0.00 0.00 177.57 178.77 3e7n h VAL 55 N -0.24 1.00 0.01 2.57 2.07 -1.37 -0.87 116.25 119.42 3e7n h VAL 55 Ca 0.01 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3e7n h VAL 55 Cb 0.53 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3e7n h VAL 55 CO 0.01 0.10 -0.05 -0.78 0.02 0.00 0.00 177.57 176.88 3e7n h ASP 56 N 0.56 -0.14 -0.15 0.57 3.58 -1.80 -1.42 116.42 117.62 3e7n h ASP 56 Ca 0.22 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 3e7n h ASP 56 Cb 0.08 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 3e7n h ASP 56 CO -0.13 -0.08 0.06 0.58 -2.88 0.00 0.00 179.24 176.80 3e7n h VAL 57 N -0.09 1.15 -0.58 2.25 2.07 -0.87 -2.65 116.25 117.53 3e7n h VAL 57 Ca 0.02 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.16 3e7n h VAL 57 Cb 0.11 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 3e7n h VAL 57 CO -0.04 0.14 0.20 0.58 0.02 0.00 0.00 177.57 178.47 3e7n h VAL 58 N 0.09 0.75 0.00 2.57 2.07 -1.07 -1.83 116.25 118.83 3e7n h VAL 58 Ca 0.05 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3e7n h VAL 58 Cb 0.17 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3e7n h VAL 58 CO -0.00 0.07 0.00 0.35 0.02 0.00 0.00 177.57 178.00 3e7n n THR 59 N -5.03 0.43 0.21 2.57 -2.24 -0.55 -1.87 114.28 107.81 3e7n n THR 59 Ca 0.08 0.11 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 3e7n n THR 59 Cb 0.27 -0.74 0.45 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.08 -0.78 3.08 -0.99 -3.45 114.38 111.17 3e7n h ARG 60 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3e7n h ARG 60 Cb 0.30 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.02 3e7n h ARG 60 CO 0.00 0.28 0.37 0.39 -1.07 0.00 0.00 179.97 179.94 3e7n n GLU 61 N -3.53 2.98 -3.67 0.04 1.02 -0.78 -5.08 120.64 111.62 3e7n n GLU 61 Ca -0.00 -3.61 -0.25 0.00 -0.02 0.00 0.00 57.16 53.27 3e7n n GLU 61 Cb 0.43 -2.28 -0.17 0.00 -0.02 0.00 0.00 31.44 29.40 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 -3.78 0.27 -0.19 3.49 -1.52 -1.26 -5.06 119.66 111.61 3e7n s GLN 63 Ca 0.59 -0.11 -0.07 0.00 -1.95 0.00 0.00 55.36 53.82 3e7n s GLN 63 Cb 0.47 -1.68 -0.04 0.00 -0.22 0.00 0.00 33.01 31.55 3e7n s GLN 63 CO -0.05 -0.59 0.06 0.08 -0.25 0.00 0.00 175.29 174.54 3e7n s VAL 64 N 2.04 4.63 -0.18 1.09 1.01 -1.25 -0.90 120.40 126.85 3e7n s VAL 64 Ca 0.02 -0.08 0.12 0.00 0.00 0.00 0.00 61.98 62.03 3e7n s VAL 64 Cb -0.15 -3.10 -0.17 0.00 0.00 0.00 0.00 36.38 32.96 3e7n s VAL 64 CO -0.08 0.44 0.33 -1.84 0.00 0.00 0.00 175.10 173.95 3e7n n GLU 65 N 3.82 1.24 -3.45 2.72 0.28 0.31 -4.69 120.64 120.87 3e7n n GLU 65 Ca -0.16 -0.08 -0.13 0.00 -0.16 0.00 0.00 57.16 56.63 3e7n n GLU 65 Cb 0.52 -1.21 -0.03 0.00 1.43 0.00 0.00 31.44 32.15 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 -2.60 -1.65 -0.01 -1.84 0.00 -1.20 -2.27 121.76 112.18 3e7n s ALA 66 Ca -0.02 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.64 3e7n s ALA 66 Cb 0.08 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3e7n s ALA 66 CO 0.49 -0.69 -0.04 0.00 0.00 0.00 0.00 175.76 175.52 3e7n s ALA 67 N -3.24 0.37 -0.07 0.00 0.00 0.12 -0.62 121.76 118.33 3e7n s ALA 67 Ca -0.01 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.86 3e7n s ALA 67 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3e7n s ALA 67 CO -0.09 0.06 -0.18 0.42 0.00 0.00 0.00 175.76 175.98 3e7n s ILE 68 N 0.10 2.70 0.12 0.00 1.01 0.10 -1.56 121.20 123.67 3e7n s ILE 68 Ca -0.01 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.85 3e7n s ILE 68 Cb -0.04 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3e7n s ILE 68 CO -0.00 0.57 -0.09 -0.76 0.00 0.00 0.00 174.94 174.65 3e7n s LEU 69 N -0.31 2.50 0.15 2.97 1.43 -0.29 -1.37 118.68 123.76 3e7n s LEU 69 Ca 0.02 -0.97 -0.30 0.00 -1.03 0.00 0.00 54.13 51.85 3e7n s LEU 69 Cb -0.13 -0.27 -0.07 0.00 0.03 0.00 0.00 46.19 45.75 3e7n s LEU 69 CO 0.03 -0.35 1.02 0.00 0.23 0.00 0.00 176.35 177.28 3e7n s ALA 70 N -3.21 3.31 0.35 4.21 0.00 -1.26 -1.53 121.76 123.63 3e7n s ALA 70 Ca 0.13 0.68 0.10 0.00 0.00 0.00 0.00 51.96 52.87 3e7n s ALA 70 Cb 0.02 -3.30 0.85 0.00 0.00 0.00 0.00 23.12 20.68 3e7n s ALA 70 CO -0.01 -0.08 1.83 1.15 0.00 0.00 0.00 175.76 178.65 3e7n h THR 71 N 3.80 0.76 -0.10 0.00 2.02 -1.01 -1.92 112.91 116.46 3e7n h THR 71 Ca -0.44 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 66.54 3e7n h THR 71 Cb 1.21 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3e7n h THR 71 CO 0.72 0.12 0.24 -0.33 0.37 0.00 0.00 175.52 176.64 3e7n h GLU 72 N 0.66 0.00 0.00 6.66 3.07 -1.92 -1.57 114.58 121.48 3e7n h GLU 72 Ca 0.50 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.30 3e7n h GLU 72 Cb 0.89 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 3e7n h GLU 72 CO -0.26 0.00 -0.29 0.97 -1.40 0.00 0.00 179.01 178.03 3e7n h ILE 73 N 0.00 1.10 -0.22 3.13 2.10 -1.63 -1.97 117.51 120.02 3e7n h ILE 73 Ca 0.05 -1.04 -0.01 0.00 1.08 0.00 0.00 64.86 64.94 3e7n h ILE 73 Cb 0.53 1.58 -0.01 0.00 -1.09 0.00 0.00 36.82 37.82 3e7n h ILE 73 CO -0.00 0.29 0.08 0.11 -1.08 0.00 0.00 178.15 177.55 3e7n h LYS 74 N 0.00 0.34 0.15 2.19 1.57 -1.49 -1.56 116.57 117.78 3e7n h LYS 74 Ca -0.00 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.45 3e7n h LYS 74 Cb 0.55 -0.05 0.03 0.00 0.08 0.00 0.00 32.23 32.84 3e7n h LYS 74 CO 0.04 0.40 -1.14 1.96 -0.57 0.00 0.00 179.45 180.14 3e7n h GLN 75 N 0.20 0.51 -0.00 3.15 7.50 -1.73 -3.34 115.11 121.40 3e7n h GLN 75 Ca 0.07 -0.75 0.00 0.00 0.50 0.00 0.00 58.65 58.48 3e7n h GLN 75 Cb 0.19 0.26 0.00 0.00 0.05 0.00 0.00 27.48 27.98 3e7n h GLN 75 CO -0.01 1.34 -0.92 1.04 -1.50 0.00 0.00 178.83 178.78 3e7n n GLN 76 N -3.90 0.39 -2.93 1.46 6.02 -0.74 -4.52 117.38 113.16 3e7n n GLN 76 Ca -0.14 -0.06 -0.13 0.00 -0.01 0.00 0.00 57.00 56.65 3e7n n GLN 76 Cb 0.95 -1.45 0.03 0.00 1.02 0.00 0.00 30.24 30.79 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 -1.38 -0.56 -0.12 1.08 2.85 -0.59 -4.68 115.26 111.86 3e7n n ASN 77 Ca 0.04 -3.22 -0.04 0.00 -0.11 0.00 0.00 54.58 51.24 3e7n n ASN 77 Cb 0.32 0.51 0.16 0.00 1.24 0.00 0.00 39.78 42.01 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 2.93 0.82 -0.39 1.20 0.13 -1.67 -0.70 132.00 134.32 3e7n h PRO 78 Ca -0.02 -0.21 -0.12 0.00 -0.87 0.00 0.00 66.00 64.77 3e7n h PRO 78 Cb 1.06 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3e7n h PRO 78 CO 0.32 0.80 -0.26 1.96 -0.23 0.00 0.00 178.00 180.59 3e7n h GLN 79 N 0.77 0.81 -0.42 0.86 1.08 -1.91 -0.50 115.11 115.80 3e7n h GLN 79 Ca 0.15 -0.35 -0.15 0.00 -1.45 0.00 0.00 58.65 56.85 3e7n h GLN 79 Cb 0.42 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3e7n h GLN 79 CO 0.02 0.97 -0.34 1.25 -0.95 0.00 0.00 178.83 179.78 3e7n h LEU 80 N 0.69 1.02 -0.50 1.46 5.85 -1.85 -1.89 115.31 120.10 3e7n h LEU 80 Ca 0.09 -0.45 0.10 0.00 0.84 0.00 0.00 57.88 58.46 3e7n h LEU 80 Cb 0.79 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 3e7n h LEU 80 CO 0.07 1.25 -0.09 -0.74 -0.34 0.00 0.00 178.44 178.59 3e7n h HIS 81 N 0.80 -0.19 -0.24 1.25 2.76 -0.78 -1.00 115.15 117.74 3e7n h HIS 81 Ca 0.08 0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 58.13 3e7n h HIS 81 Cb 0.93 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 3e7n h HIS 81 CO 0.06 -0.19 -0.50 1.49 -1.30 0.00 0.00 177.93 177.50 3e7n h GLU 82 N 0.03 0.67 -0.91 5.26 4.57 -0.92 -1.54 114.58 121.74 3e7n h GLU 82 Ca 0.24 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 3e7n h GLU 82 Cb 0.37 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 3e7n h GLU 82 CO -0.48 1.01 0.54 1.15 -1.18 0.00 0.00 179.01 180.04 3e7n h THR 83 N 0.53 1.25 -0.29 0.32 2.02 -0.98 -1.59 112.91 114.16 3e7n h THR 83 Ca 0.02 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 3e7n h THR 83 Cb 1.05 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3e7n h THR 83 CO 0.10 0.27 0.00 0.25 0.37 0.00 0.00 175.52 176.51 3e7n h LEU 84 N 1.25 0.51 -0.58 2.58 5.85 -0.83 -1.53 115.31 122.56 3e7n h LEU 84 Ca 0.32 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3e7n h LEU 84 Cb -0.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3e7n h LEU 84 CO -0.06 0.69 0.38 -0.07 -0.34 0.00 0.00 178.44 179.04 3e7n h LEU 85 N 0.31 0.66 -0.64 2.25 3.38 -1.09 0.14 115.31 120.33 3e7n h LEU 85 Ca 0.08 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3e7n h LEU 85 Cb 0.43 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3e7n h LEU 85 CO 0.01 0.48 0.42 0.74 0.09 0.00 0.00 178.44 180.18 3e7n h THR 86 N 0.78 1.16 -0.40 0.22 2.02 -1.18 0.06 112.91 115.56 3e7n h THR 86 Ca 0.21 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3e7n h THR 86 Cb -0.09 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 3e7n h THR 86 CO -0.05 0.16 0.17 -0.74 0.37 0.00 0.00 175.52 175.43 3e7n h HIS 87 N 0.86 0.61 0.00 3.16 -0.00 -0.48 -1.57 115.15 117.73 3e7n h HIS 87 Ca 0.23 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.51 3e7n h HIS 87 Cb -0.10 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 3e7n h HIS 87 CO -0.03 0.54 -0.22 -0.07 -0.00 0.00 0.00 177.93 178.15 3e7n h LEU 88 N 0.51 0.00 -0.44 0.26 3.38 -0.48 0.54 115.31 119.08 3e7n h LEU 88 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 3e7n h LEU 88 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3e7n h LEU 88 CO -0.01 0.22 -0.08 -0.08 0.09 0.00 0.00 178.44 178.58 3e7n h GLU 89 N 0.00 0.84 -0.09 1.13 4.81 -0.52 -1.81 114.58 118.94 3e7n h GLU 89 Ca -0.00 -0.31 -0.17 0.00 -0.13 0.00 0.00 59.36 58.75 3e7n h GLU 89 Cb 0.41 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3e7n h GLU 89 CO 0.03 0.94 -0.67 1.96 -0.73 0.00 0.00 179.01 180.53 3e7n h GLN 90 N 0.67 0.36 -0.10 1.92 4.20 -0.60 -2.85 115.11 118.72 3e7n h GLN 90 Ca 0.12 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3e7n h GLN 90 Cb 0.61 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 3e7n h GLN 90 CO 0.04 0.90 0.05 1.25 -0.67 0.00 0.00 178.83 180.40 3e7n h LEU 91 N 0.26 0.12 -1.25 1.46 5.85 -0.86 -1.67 115.31 119.21 3e7n h LEU 91 Ca -0.02 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3e7n h LEU 91 Cb 1.22 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3e7n h LEU 91 CO 0.11 0.18 -0.05 0.06 -0.34 0.00 0.00 178.44 178.41 3e7n h GLN 92 N 0.05 0.45 -0.24 1.25 3.07 -1.32 0.88 115.11 119.25 3e7n h GLN 92 Ca 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 3e7n h GLN 92 Cb 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 3e7n h GLN 92 CO -0.00 0.52 0.12 1.96 0.09 0.00 0.00 178.83 181.51 3e7n h GLN 93 N 0.43 0.35 -0.44 0.06 4.20 -1.32 0.62 115.11 119.01 3e7n h GLN 93 Ca 0.09 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 3e7n h GLN 93 Cb 0.36 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3e7n h GLN 93 CO 0.02 0.35 -0.04 0.45 -0.67 0.00 0.00 178.83 178.94 3e7n h HIS 94 N 0.26 0.79 0.00 2.96 3.86 -0.34 -2.34 115.15 120.35 3e7n h HIS 94 Ca 0.08 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 3e7n h HIS 94 Cb 0.11 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3e7n h HIS 94 CO -0.02 0.75 -0.25 1.96 0.86 0.00 0.00 177.93 181.23 3e7n h GLN 95 N 0.68 0.00 -0.62 2.45 4.20 -0.75 -3.47 115.11 117.59 3e7n h GLN 95 Ca 0.13 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3e7n h GLN 95 Cb 0.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3e7n h GLN 95 CO 0.02 0.25 -0.11 0.41 -0.67 0.00 0.00 178.83 178.73 3e7n n GLY 96 N 0.46 0.21 0.00 3.46 0.00 0.08 -4.99 105.19 104.42 3e7n n GLY 96 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 1.14 0.55 -3.92 1.61 6.94 -0.45 -5.02 115.26 116.12 3e7n n ASN 97 Ca -0.05 -0.74 -0.29 0.00 -0.02 0.00 0.00 54.58 53.47 3e7n n ASN 97 Cb 0.52 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.78 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 -1.40 1.26 -0.31 5.53 -1.32 -1.26 -4.39 115.64 113.75 3e7n s THR 98 Ca 0.00 -0.73 -0.27 0.00 -1.21 0.00 0.00 61.69 59.48 3e7n s THR 98 Cb 0.00 -1.41 0.01 0.00 -1.51 0.00 0.00 72.50 69.59 3e7n s THR 98 CO 0.00 0.14 0.97 -0.63 -2.21 0.00 0.00 174.62 172.89 3e7n s ILE 99 N 1.57 4.62 0.02 5.08 1.01 -1.26 -4.87 121.20 127.36 3e7n s ILE 99 Ca 0.00 1.54 -0.30 0.00 0.00 0.00 0.00 60.65 61.89 3e7n s ILE 99 Cb -0.15 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 3e7n s ILE 99 CO -0.08 -0.38 1.10 -0.75 0.00 0.00 0.00 174.94 174.82 3e7n s LYS 100 N 3.37 4.48 -0.11 2.79 2.20 -0.96 -4.88 119.74 126.62 3e7n s LYS 100 Ca 0.40 1.59 -0.00 0.00 -0.36 0.00 0.00 55.97 57.61 3e7n s LYS 100 Cb -0.13 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 3e7n s LYS 100 CO 0.14 -0.19 -0.10 0.42 -0.36 0.00 0.00 175.35 175.25 3e7n s ILE 101 N 1.20 3.33 0.09 5.43 1.09 -1.26 0.16 121.20 131.24 3e7n s ILE 101 Ca 0.55 -0.58 -0.02 0.00 -1.10 0.00 0.00 60.65 59.49 3e7n s ILE 101 Cb -0.25 -2.39 -0.03 0.00 -1.06 0.00 0.00 42.46 38.73 3e7n s ILE 101 CO 0.27 0.54 0.05 -0.94 -0.10 0.00 0.00 174.94 174.76 3e7n s SER 102 N 0.00 0.36 -0.01 3.58 1.04 -0.60 -4.98 113.70 113.08 3e7n s SER 102 Ca -0.02 -1.02 0.06 0.00 0.48 0.00 0.00 55.95 55.45 3e7n s SER 102 Cb -0.14 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 3e7n s SER 102 CO 0.04 -0.68 -0.18 -0.31 0.98 0.00 0.00 173.24 173.09 3e7n s TYR 103 N -3.96 1.62 0.32 5.02 2.02 -1.26 -1.14 117.35 119.98 3e7n s TYR 103 Ca 0.13 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 3e7n s TYR 103 Cb 0.07 -1.03 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 3e7n s TYR 103 CO -0.06 -0.02 0.14 0.95 -1.57 0.00 0.00 175.55 175.00 3e7n s THR 104 N -0.46 0.48 0.69 -0.71 -4.23 -0.58 -4.87 115.64 105.96 3e7n s THR 104 Ca 0.07 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.42 3e7n s THR 104 Cb -0.07 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.27 3e7n s THR 104 CO -0.00 0.00 1.20 0.42 -0.54 0.00 0.00 174.62 175.69 3e7n s THR 105 N -3.50 2.48 0.29 3.99 -4.23 -1.26 -0.36 115.64 113.04 3e7n s THR 105 Ca 0.34 0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 61.08 3e7n s THR 105 Cb 0.05 -2.88 0.27 0.00 1.34 0.00 0.00 72.50 71.28 3e7n s THR 105 CO 0.17 -0.11 1.93 -0.74 -0.54 0.00 0.00 174.62 175.32 3e7n h HIS 106 N 0.04 1.11 -0.62 3.99 2.76 -1.93 0.55 115.15 121.05 3e7n h HIS 106 Ca -0.48 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 57.75 3e7n h HIS 106 Cb 1.29 -0.37 -0.04 0.00 1.55 0.00 0.00 27.41 29.84 3e7n h HIS 106 CO 0.48 0.64 0.38 0.93 -1.30 0.00 0.00 177.93 179.06 3e7n h GLU 107 N 1.15 0.71 -0.22 5.26 4.39 -2.00 -0.73 114.58 123.14 3e7n h GLU 107 Ca 0.36 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.86 3e7n h GLU 107 Cb 0.01 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3e7n h GLU 107 CO -0.11 0.47 -0.51 0.37 -1.16 0.00 0.00 179.01 178.08 3e7n h GLN 108 N 0.73 0.60 -0.34 2.33 5.75 -1.71 -2.65 115.11 119.83 3e7n h GLN 108 Ca 0.25 -0.36 0.05 0.00 -0.15 0.00 0.00 58.65 58.45 3e7n h GLN 108 Cb 0.04 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 3e7n h GLN 108 CO -0.11 0.96 0.05 0.35 -2.65 0.00 0.00 178.83 177.43 3e7n h PHE 109 N 0.47 0.08 -0.80 3.99 3.57 -0.43 -1.21 116.94 122.61 3e7n h PHE 109 Ca 0.02 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.60 3e7n h PHE 109 Cb 1.05 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.74 3e7n h PHE 109 CO 0.05 0.00 0.48 0.87 -2.23 0.00 0.00 178.31 177.48 3e7n h LYS 110 N 0.16 0.85 -0.46 1.11 1.57 -0.97 -1.48 116.57 117.35 3e7n h LYS 110 Ca 0.16 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3e7n h LYS 110 Cb 0.19 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3e7n h LYS 110 CO -0.22 0.56 0.31 0.87 -0.57 0.00 0.00 179.45 180.39 3e7n h LYS 111 N 0.87 0.61 -0.25 3.15 1.57 -1.05 -2.51 116.57 118.96 3e7n h LYS 111 Ca 0.35 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 3e7n h LYS 111 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3e7n h LYS 111 CO -0.18 0.41 0.08 -0.07 -0.57 0.00 0.00 179.45 179.11 3e7n h LEU 112 N 0.63 0.31 -2.29 2.94 3.38 -0.43 -1.74 115.31 118.11 3e7n h LEU 112 Ca 0.17 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3e7n h LEU 112 Cb -0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3e7n h LEU 112 CO -0.04 0.30 -0.01 0.71 0.09 0.00 0.00 178.44 179.50 3e7n h THR 113 N 0.35 0.69 0.00 0.22 1.35 -0.83 -0.83 112.91 113.86 3e7n h THR 113 Ca 0.09 -0.02 -0.00 0.00 -0.55 0.00 0.00 66.41 65.93 3e7n h THR 113 Cb 0.11 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 3e7n h THR 113 CO -0.01 0.01 -0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3e7n h ALA 114 N 1.99 1.00 -0.03 6.62 0.00 -1.30 -2.24 119.26 125.30 3e7n h ALA 114 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 -0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3e7n n ASP 115 N -3.09 2.94 -4.86 0.00 8.00 -0.32 -4.59 116.55 114.64 3e7n n ASP 115 Ca -0.02 -1.98 -0.31 0.00 0.71 0.00 0.00 54.79 53.19 3e7n n ASP 115 Cb 0.14 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.00 5.71 0.18 -2.24 1.04 -0.85 -4.74 113.70 110.80 3e7n s SER 116 Ca 0.28 1.38 0.00 0.00 0.48 0.00 0.00 55.95 58.10 3e7n s SER 116 Cb 0.20 -2.31 0.06 0.00 0.10 0.00 0.00 66.02 64.07 3e7n s SER 116 CO 0.30 -1.20 1.43 1.56 0.98 0.00 0.00 173.24 176.31 3e7n h GLN 117 N -0.55 0.34 -2.30 4.02 1.08 -1.43 -3.44 115.11 112.82 3e7n h GLN 117 Ca -0.44 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 56.45 3e7n h GLN 117 Cb 1.22 0.07 -0.17 0.00 -0.05 0.00 0.00 27.48 28.54 3e7n h GLN 117 CO 0.61 0.94 0.27 0.00 -0.95 0.00 0.00 178.83 179.71 3e7n s ALA 118 N -3.53 -1.74 -0.21 3.87 0.00 -1.26 -3.36 121.76 115.54 3e7n s ALA 118 Ca -0.05 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.94 3e7n s ALA 118 Cb 0.10 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.47 3e7n s ALA 118 CO 0.83 -0.53 -0.09 0.08 0.00 0.00 0.00 175.76 176.06 3e7n s VAL 119 N -2.22 2.98 -0.41 0.00 1.01 0.09 -1.26 120.40 120.59 3e7n s VAL 119 Ca -0.04 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 3e7n s VAL 119 Cb -0.00 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 34.06 3e7n s VAL 119 CO -0.01 0.46 0.39 -0.63 0.00 0.00 0.00 175.10 175.31 3e7n s ILE 120 N 1.42 5.14 -0.22 2.22 1.01 0.14 -1.29 121.20 129.62 3e7n s ILE 120 Ca 0.06 -0.39 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 3e7n s ILE 120 Cb -0.14 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 3e7n s ILE 120 CO -0.06 -0.36 0.72 -0.60 0.00 0.00 0.00 174.94 174.64 3e7n s ARG 121 N 2.00 4.18 0.56 2.79 3.52 -0.07 -1.27 118.95 130.67 3e7n s ARG 121 Ca 0.10 0.75 0.05 0.00 -0.13 0.00 0.00 55.73 56.50 3e7n s ARG 121 Cb -0.18 -3.62 0.07 0.00 -1.56 0.00 0.00 34.95 29.66 3e7n s ARG 121 CO 0.12 -0.39 0.78 -1.54 -0.81 0.00 0.00 175.30 173.46 3e7n s SER 122 N 1.32 5.10 0.00 -2.12 1.04 -0.26 -1.82 113.70 116.96 3e7n s SER 122 Ca 0.31 -0.47 0.13 0.00 0.48 0.00 0.00 55.95 56.40 3e7n s SER 122 Cb -0.16 -0.24 0.49 0.00 0.10 0.00 0.00 66.02 66.22 3e7n s SER 122 CO 0.09 -1.28 1.36 0.61 0.98 0.00 0.00 173.24 175.01 3e7n n GLY 123 N -2.30 0.11 3.74 7.32 0.00 0.67 -3.31 105.19 111.42 3e7n n GLY 123 Ca 0.12 -0.31 -0.41 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 -1.73 4.26 0.00 1.61 2.56 -1.24 -0.06 118.70 124.10 3e7n s GLU 124 Ca 0.23 2.31 0.11 0.00 0.00 0.00 0.00 54.97 57.62 3e7n s GLU 124 Cb 0.12 -3.11 -0.05 0.00 2.00 0.00 0.00 34.13 33.10 3e7n s GLU 124 CO 0.17 -0.43 0.59 0.00 -0.56 0.00 0.00 175.26 175.04 3e7n s SER 126 N -1.68 4.34 0.28 0.00 1.04 -1.26 -4.98 113.70 111.45 3e7n s SER 126 Ca 0.07 1.76 -0.29 0.00 0.48 0.00 0.00 55.95 57.97 3e7n s SER 126 Cb 0.09 -2.46 -0.09 0.00 0.10 0.00 0.00 66.02 63.65 3e7n s SER 126 CO 0.34 -2.13 1.07 -2.84 0.98 0.00 0.00 173.24 170.67 3e7n s PRO 127 N -4.91 4.64 -1.54 4.02 0.02 -1.26 -4.04 135.00 131.92 3e7n s PRO 127 Ca 0.61 1.74 -0.01 0.00 0.02 0.00 0.00 61.00 63.36 3e7n s PRO 127 Cb -0.17 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.20 3e7n s PRO 127 CO 0.56 0.23 0.10 0.66 -0.33 0.00 0.00 177.00 178.23 3e7n n TYR 128 N 1.14 -1.28 -1.92 6.54 4.01 -1.26 -4.56 117.16 119.83 3e7n n TYR 128 Ca -0.01 0.09 -0.42 0.00 -0.16 0.00 0.00 57.90 57.40 3e7n n TYR 128 Cb 0.45 -3.69 0.00 0.00 -0.31 0.00 0.00 39.34 35.80 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 -2.35 5.63 -3.18 -0.72 0.00 -1.26 -4.71 120.51 113.92 3e7n n ALA 129 Ca -0.19 -4.02 -0.15 0.00 0.00 0.00 0.00 53.44 49.07 3e7n n ALA 129 Cb 0.65 -3.32 -0.15 0.00 0.00 0.00 0.00 19.45 16.63 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 2.26 0.37 0.00 0.00 0.01 -1.26 -1.76 114.94 114.57 3e7n s ASN 130 Ca 0.46 -0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.57 3e7n s ASN 130 Cb 0.13 -0.11 -0.00 0.00 0.41 0.00 0.00 41.25 41.67 3e7n s ASN 130 CO -0.06 -0.02 -0.03 0.54 -1.51 0.00 0.00 177.10 176.03 3e7n s VAL 131 N 0.37 0.21 -0.29 1.60 0.11 -0.14 -4.50 120.40 117.76 3e7n s VAL 131 Ca -0.04 -0.22 -0.11 0.00 -2.93 0.00 0.00 61.98 58.69 3e7n s VAL 131 Cb -0.06 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 3e7n s VAL 131 CO -0.01 -0.01 0.18 -0.63 -3.33 0.00 0.00 175.10 171.30 3e7n s ILE 132 N -0.23 5.14 -0.17 7.04 1.01 -0.47 -1.42 121.20 132.09 3e7n s ILE 132 Ca -0.01 0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 3e7n s ILE 132 Cb -0.02 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 3e7n s ILE 132 CO -0.00 0.21 0.13 -0.76 0.00 0.00 0.00 174.94 174.52 3e7n s LEU 133 N 1.73 4.22 -0.17 2.97 1.43 0.46 -0.72 118.68 128.60 3e7n s LEU 133 Ca 0.07 0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 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 0.25 0.03 0.00 0.23 0.00 0.00 176.35 176.96 3e7n s ALA 135 N 0.35 3.33 -0.22 0.00 0.00 -0.19 -0.53 121.76 124.50 3e7n s ALA 135 Ca 0.01 0.76 -0.31 0.00 0.00 0.00 0.00 51.96 52.42 3e7n s ALA 135 Cb -0.13 -3.38 0.16 0.00 0.00 0.00 0.00 23.12 19.77 3e7n s ALA 135 CO 0.01 -0.28 1.19 0.20 0.00 0.00 0.00 175.76 176.88 3e7n s GLY 136 N 0.51 -0.12 0.33 0.00 0.00 -0.08 -0.84 107.32 107.12 3e7n s GLY 136 Ca 0.53 2.29 0.03 0.00 0.00 0.00 0.00 44.72 47.57 3e7n s GLY 136 CO 0.31 0.96 0.12 -1.34 0.00 0.00 0.00 173.10 173.15 3e7n s VAL 137 N -1.34 0.63 -2.00 1.40 -7.23 -1.26 -3.71 120.40 106.89 3e7n s VAL 137 Ca 0.05 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.39 3e7n s VAL 137 Cb -0.01 -2.56 0.48 0.00 0.56 0.00 0.00 36.38 34.86 3e7n s VAL 137 CO -0.04 0.00 1.42 1.07 -0.31 0.00 0.00 175.10 177.24