#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 -2.20 0.00 4.81 -1.26 -5.06 118.16 114.46 3e7n n LYS 2 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 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 3.80 0.00 1.64 1.02 -1.26 -4.83 119.74 120.11 3e7n s LYS 3 Ca 0.00 1.88 0.00 0.00 0.02 0.00 0.00 55.97 57.87 3e7n s LYS 3 Cb 0.00 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 3e7n s LYS 3 CO 0.00 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.29 3e7n n GLY 4 N 0.55 -0.98 0.00 -3.33 0.00 -1.26 -4.84 105.19 95.32 3e7n n GLY 4 Ca 0.06 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.99 2.61 -2.24 -1.26 -4.89 114.28 105.50 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 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.35 4.81 -0.12 2.28 1.01 -1.26 -4.87 120.40 121.89 3e7n s VAL 6 Ca 0.00 -1.49 0.17 0.00 0.00 0.00 0.00 61.98 60.66 3e7n s VAL 6 Cb 0.00 -4.70 -0.16 0.00 0.00 0.00 0.00 36.38 31.53 3e7n s VAL 6 CO 0.00 -1.40 0.74 0.18 0.00 0.00 0.00 175.10 174.63 3e7n n LEU 7 N 6.32 0.76 -4.74 3.92 4.77 -1.26 -4.83 117.00 121.95 3e7n n LEU 7 Ca 0.16 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 56.06 3e7n n LEU 7 Cb 0.48 0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 3e7n n LEU 7 CO 0.51 0.18 1.14 0.21 -1.33 0.00 0.00 177.39 178.09 3e7n s ASN 8 N -5.71 6.63 0.12 -1.43 3.84 -1.26 -4.92 114.94 112.21 3e7n s ASN 8 Ca -0.04 2.66 -0.14 0.00 0.21 0.00 0.00 52.86 55.56 3e7n s ASN 8 Cb 0.09 -2.62 -0.04 0.00 -0.55 0.00 0.00 41.25 38.13 3e7n s ASN 8 CO 0.82 -0.74 1.51 0.77 -2.79 0.00 0.00 177.10 176.67 3e7n h SER 9 N 5.43 0.80 -0.32 -4.21 4.64 -1.99 -1.51 113.55 116.38 3e7n h SER 9 Ca -0.45 -0.39 -0.14 0.00 -0.47 0.00 0.00 61.79 60.34 3e7n h SER 9 Cb 1.21 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3e7n h SER 9 CO 0.81 1.01 -0.34 -0.33 -0.87 0.00 0.00 176.83 177.11 3e7n h GLU 10 N 0.58 0.80 -0.38 4.77 4.39 -1.99 -1.30 114.58 121.45 3e7n h GLU 10 Ca 0.09 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 59.33 3e7n h GLU 10 Cb 0.70 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 3e7n h GLU 10 CO 0.05 1.06 0.12 0.82 -1.16 0.00 0.00 179.01 179.90 3e7n h ILE 11 N 0.58 1.21 -0.58 3.13 2.04 -1.96 -0.42 117.51 121.51 3e7n h ILE 11 Ca 0.05 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.27 3e7n h ILE 11 Cb 0.92 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 3e7n h ILE 11 CO 0.08 0.24 0.28 0.28 0.00 0.00 0.00 178.15 179.04 3e7n h SER 12 N 0.46 0.38 0.04 1.72 0.02 -1.23 -1.06 113.55 113.88 3e7n h SER 12 Ca 0.12 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3e7n h SER 12 Cb 0.26 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3e7n h SER 12 CO -0.00 0.25 -0.02 -1.28 -1.14 0.00 0.00 176.83 174.64 3e7n h SER 13 N 0.53 -0.05 -0.48 3.07 0.87 -0.88 -2.19 113.55 114.41 3e7n h SER 13 Ca 0.27 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.68 3e7n h SER 13 Cb 0.21 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 3e7n h SER 13 CO -0.20 -0.01 -0.16 1.62 -0.53 0.00 0.00 176.83 177.55 3e7n h VAL 14 N -0.08 1.27 -0.41 2.23 3.04 -0.72 -2.65 116.25 118.92 3e7n h VAL 14 Ca -0.01 -1.32 -0.06 0.00 -1.01 0.00 0.00 66.70 64.31 3e7n h VAL 14 Cb 0.07 1.05 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 3e7n h VAL 14 CO 0.01 0.46 0.01 0.40 -1.01 0.00 0.00 177.57 177.44 3e7n h ILE 15 N 0.86 1.22 0.00 3.17 2.04 -1.18 -1.94 117.51 121.68 3e7n h ILE 15 Ca 0.12 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3e7n h ILE 15 Cb 0.73 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3e7n h ILE 15 CO 0.06 0.31 0.00 -1.54 0.00 0.00 0.00 178.15 176.97 3e7n n SER 16 N -4.25 0.20 -0.66 1.72 3.41 -0.83 -2.43 113.62 110.78 3e7n n SER 16 Ca 0.02 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 3e7n n SER 16 Cb 0.27 -0.59 0.07 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.71 1.30 -2.24 4.33 1.74 -0.75 -4.99 116.66 114.34 3e7n n ARG 17 Ca 0.04 -1.49 -0.41 0.00 -0.77 0.00 0.00 57.85 55.22 3e7n n ARG 17 Cb 0.22 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 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 -1.36 4.46 0.47 0.55 1.43 -1.02 -5.05 118.68 118.16 3e7n s LEU 18 Ca 0.19 2.50 0.05 0.00 -1.03 0.00 0.00 54.13 55.85 3e7n s LEU 18 Cb 0.14 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 3e7n s LEU 18 CO 0.21 -0.42 0.14 -0.83 0.23 0.00 0.00 176.35 175.67 3e7n s GLY 19 N -0.40 2.59 0.13 -3.19 0.00 -1.26 -5.05 107.32 100.14 3e7n s GLY 19 Ca 0.49 -1.46 -0.34 0.00 0.00 0.00 0.00 44.72 43.41 3e7n s GLY 19 CO 0.46 -2.04 1.55 1.57 0.00 0.00 0.00 173.10 174.64 3e7n n HIS 20 N -1.29 2.14 -0.06 1.90 -0.00 -1.26 -1.57 115.22 115.08 3e7n n HIS 20 Ca -0.07 0.32 0.00 0.00 0.46 0.00 0.00 57.72 58.43 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 3.36 0.00 -1.73 3.57 -2.24 0.06 -4.99 114.28 112.30 3e7n n THR 21 Ca 0.18 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.58 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 0.47 -0.57 0.00 0.00 175.07 174.97 3e7n n ASP 22 N 0.00 2.29 -4.43 3.42 8.00 -0.61 -4.68 116.55 120.54 3e7n n ASP 22 Ca 0.00 0.87 -0.26 0.00 0.71 0.00 0.00 54.79 56.11 3e7n n ASP 22 Cb 0.00 -1.57 -0.11 0.00 -0.02 0.00 0.00 41.12 39.42 3e7n n ASP 22 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3e7n s THR 23 N -1.35 2.36 -0.03 -3.53 -4.23 -1.26 -1.07 115.64 106.53 3e7n s THR 23 Ca 0.80 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 3e7n s THR 23 Cb -0.39 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.33 3e7n s THR 23 CO 0.43 -0.16 -0.03 -0.22 -0.54 0.00 0.00 174.62 174.10 3e7n s LEU 24 N -2.78 1.38 -0.12 4.79 2.96 -0.27 -0.82 118.68 123.82 3e7n s LEU 24 Ca 0.22 -0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.00 3e7n s LEU 24 Cb -0.07 -0.35 -0.04 0.00 0.50 0.00 0.00 46.19 46.23 3e7n s LEU 24 CO 0.10 -0.05 0.05 -0.69 -1.32 0.00 0.00 176.35 174.44 3e7n s VAL 25 N 0.78 4.69 -0.20 1.68 1.01 -0.38 -0.68 120.40 127.31 3e7n s VAL 25 Ca -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3e7n s VAL 25 Cb -0.12 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 3e7n s VAL 25 CO -0.00 0.57 -0.07 -0.69 0.00 0.00 0.00 175.10 174.91 3e7n s VAL 26 N -0.58 3.28 0.35 2.92 1.01 -0.40 0.28 120.40 127.26 3e7n s VAL 26 Ca 0.11 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3e7n s VAL 26 Cb -0.12 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 3e7n s VAL 26 CO 0.02 0.45 0.06 0.00 0.00 0.00 0.00 175.10 175.63 3e7n s ASP 28 N -3.54 3.93 0.21 0.00 1.47 -0.76 -1.33 116.67 116.64 3e7n s ASP 28 Ca 0.34 -0.20 0.20 0.00 1.18 0.00 0.00 52.55 54.08 3e7n s ASP 28 Cb 0.08 -0.06 0.89 0.00 -0.34 0.00 0.00 42.92 43.50 3e7n s ASP 28 CO 0.15 -2.16 1.62 0.00 0.68 0.00 0.00 175.17 175.47 3e7n n ALA 29 N -3.14 1.53 0.45 2.11 0.00 0.02 -3.11 120.51 118.39 3e7n n ALA 29 Ca 0.15 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.72 3e7n n ALA 29 Cb 0.60 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.27 -0.21 3.73 0.00 0.00 -1.26 -5.01 105.19 102.16 3e7n n GLY 30 Ca 0.02 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.42 4.41 0.46 0.99 2.96 -1.18 -4.99 118.68 119.90 3e7n s LEU 31 Ca 0.10 2.35 -0.22 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 0.22 -0.53 1.09 -2.16 -1.32 0.00 0.00 176.35 173.65 3e7n s PRO 32 N 0.18 3.85 -0.23 0.98 0.04 -1.26 -4.99 135.00 133.57 3e7n s PRO 32 Ca 0.58 1.57 0.01 0.00 0.04 0.00 0.00 61.00 63.20 3e7n s PRO 32 Cb -0.36 -2.32 0.04 0.00 0.04 0.00 0.00 34.50 31.90 3e7n s PRO 32 CO 0.36 -0.43 -0.14 0.42 0.04 0.00 0.00 177.00 177.25 3e7n s ILE 33 N -1.72 2.25 0.60 0.56 1.01 -1.26 -5.09 121.20 117.54 3e7n s ILE 33 Ca 0.64 -1.25 -0.19 0.00 0.00 0.00 0.00 60.65 59.85 3e7n s ILE 33 Cb -0.23 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 3e7n s ILE 33 CO 0.28 0.24 1.20 -2.84 0.00 0.00 0.00 174.94 173.82 3e7n s PRO 34 N 1.22 2.94 0.00 2.79 0.02 -1.26 -4.92 135.00 135.79 3e7n s PRO 34 Ca -0.02 1.81 0.24 0.00 0.02 0.00 0.00 61.00 63.05 3e7n s PRO 34 Cb -0.17 -1.93 1.11 0.00 0.02 0.00 0.00 34.50 33.54 3e7n s PRO 34 CO -0.08 -1.22 1.77 0.27 -0.33 0.00 0.00 177.00 177.41 3e7n n ASN 35 N -1.65 0.00 0.00 2.53 0.23 -1.26 -2.38 115.26 112.73 3e7n n ASN 35 Ca 0.13 0.21 0.08 0.00 -0.53 0.00 0.00 54.58 54.48 3e7n n ASN 35 Cb 0.50 -0.39 0.50 0.00 -2.08 0.00 0.00 39.78 38.30 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 -1.39 0.00 -4.04 0.53 3.41 -1.26 -4.83 113.62 106.05 3e7n n SER 36 Ca 0.09 -1.33 -0.13 0.00 -0.26 0.00 0.00 58.87 57.23 3e7n n SER 36 Cb 0.23 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.47 0.36 6.66 -1.32 -1.00 -4.91 115.64 113.89 3e7n s THR 37 Ca 0.25 -0.93 -0.27 0.00 -1.21 0.00 0.00 61.69 59.53 3e7n s THR 37 Cb 0.11 -0.53 -0.09 0.00 -1.51 0.00 0.00 72.50 70.49 3e7n s THR 37 CO 0.19 -0.32 1.21 0.00 -2.21 0.00 0.00 174.62 173.48 3e7n s ALA 38 N -1.20 3.31 -0.30 11.08 0.00 -1.20 -4.86 121.76 128.59 3e7n s ALA 38 Ca -0.09 1.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.86 3e7n s ALA 38 Cb -0.09 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.64 3e7n s ALA 38 CO 0.00 -0.51 0.08 0.50 0.00 0.00 0.00 175.76 175.83 3e7n s ARG 39 N -1.98 3.08 -0.40 0.00 3.52 -1.26 -0.91 118.95 120.99 3e7n s ARG 39 Ca 0.52 -0.87 -0.04 0.00 -0.13 0.00 0.00 55.73 55.21 3e7n s ARG 39 Cb -0.34 -3.38 0.10 0.00 -1.56 0.00 0.00 34.95 29.77 3e7n s ARG 39 CO 0.44 -0.45 0.20 0.42 -0.81 0.00 0.00 175.30 175.10 3e7n s ILE 40 N 1.50 3.51 0.29 4.11 1.01 -0.21 -4.98 121.20 126.42 3e7n s ILE 40 Ca 0.02 -1.82 -0.03 0.00 0.00 0.00 0.00 60.65 58.83 3e7n s ILE 40 Cb -0.17 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 3e7n s ILE 40 CO 0.03 -0.58 0.53 -0.62 0.00 0.00 0.00 174.94 174.29 3e7n s ASP 41 N 1.88 6.41 0.15 3.58 -1.08 -1.26 -0.84 116.67 125.50 3e7n s ASP 41 Ca 0.05 0.62 0.00 0.00 -0.52 0.00 0.00 52.55 52.70 3e7n s ASP 41 Cb -0.23 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.13 3e7n s ASP 41 CO -0.02 -0.19 0.00 0.00 0.52 0.00 0.00 175.17 175.48 3e7n n ALA 43 N -1.05 -2.23 -0.12 3.66 0.00 -0.67 -4.95 120.51 115.16 3e7n n ALA 43 Ca -0.03 0.39 -0.23 0.00 0.00 0.00 0.00 53.44 53.57 3e7n n ALA 43 Cb 0.54 -1.26 -0.09 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 1.53 1.91 -3.81 0.00 7.94 -0.25 -4.94 117.00 119.39 3e7n n LEU 44 Ca 0.00 0.39 -0.09 0.00 -1.11 0.00 0.00 56.01 55.21 3e7n n LEU 44 Cb 0.00 -0.87 0.02 0.00 0.53 0.00 0.00 43.42 43.10 3e7n n LEU 44 CO 0.00 0.31 0.53 0.28 -1.11 0.00 0.00 177.39 177.39 3e7n s THR 45 N -2.48 0.00 -0.26 1.96 -1.32 -0.97 -5.04 115.64 107.53 3e7n s THR 45 Ca -0.33 -1.00 -0.38 0.00 -1.21 0.00 0.00 61.69 58.77 3e7n s THR 45 Cb 0.10 -2.81 -0.14 0.00 -1.51 0.00 0.00 72.50 68.14 3e7n s THR 45 CO 0.50 0.00 1.86 0.00 -2.21 0.00 0.00 174.62 174.77 3e7n n GLN 46 N -0.52 1.31 -0.95 7.08 3.00 -1.26 -0.92 117.38 125.11 3e7n n GLN 46 Ca -0.08 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 3e7n n GLN 46 Cb 0.60 -2.26 0.00 0.00 0.00 0.00 0.00 30.24 28.58 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 4.75 0.71 2.80 1.08 0.00 0.14 -5.00 105.19 109.66 3e7n n GLY 47 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.96 0.75 0.58 1.61 1.01 -0.09 -2.87 120.40 118.41 3e7n s VAL 48 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 3e7n s VAL 48 Cb 0.00 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.21 3e7n s VAL 48 CO 0.00 -0.06 1.01 -2.16 0.00 0.00 0.00 175.10 173.89 3e7n s PRO 49 N 1.77 3.75 0.74 2.72 0.04 -1.26 -1.09 135.00 141.67 3e7n s PRO 49 Ca -0.00 0.83 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 3e7n s PRO 49 Cb -0.16 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.31 3e7n s PRO 49 CO -0.07 -0.44 1.08 -1.54 0.04 0.00 0.00 177.00 176.06 3e7n s SER 50 N -3.72 4.97 0.00 6.66 1.04 -1.14 -0.39 113.70 121.12 3e7n s SER 50 Ca 0.57 1.52 0.00 0.00 0.48 0.00 0.00 55.95 58.51 3e7n s SER 50 Cb -0.11 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.69 3e7n s SER 50 CO 0.45 -1.69 0.00 0.33 0.98 0.00 0.00 173.24 173.30 3e7n n PHE 51 N -3.28 0.00 0.00 5.02 7.35 -1.26 -2.34 117.46 122.95 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 0.54 0.00 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 0.15 0.00 -0.03 -4.13 6.02 -1.26 -1.13 117.38 116.99 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 1.43 -0.46 5.09 2.07 -1.82 -2.07 116.25 120.48 3e7n h VAL 54 Ca 0.00 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.09 3e7n h VAL 54 Cb 0.00 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3e7n h VAL 54 CO 0.00 0.41 0.17 0.58 0.02 0.00 0.00 177.57 178.75 3e7n h VAL 55 N -0.32 0.85 0.09 2.57 2.07 -1.41 -0.08 116.25 120.03 3e7n h VAL 55 Ca -0.00 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3e7n h VAL 55 Cb 0.74 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3e7n h VAL 55 CO 0.03 0.06 -0.13 -0.78 0.02 0.00 0.00 177.57 176.78 3e7n h ASP 56 N 0.34 -0.34 -0.36 0.57 3.58 -1.81 -1.21 116.42 117.19 3e7n h ASP 56 Ca 0.22 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.67 3e7n h ASP 56 Cb 0.22 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 3e7n h ASP 56 CO -0.22 -0.19 0.09 0.58 -2.88 0.00 0.00 179.24 176.62 3e7n h VAL 57 N -0.26 1.22 -0.46 2.25 2.07 -1.00 -2.66 116.25 117.41 3e7n h VAL 57 Ca 0.02 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 66.86 3e7n h VAL 57 Cb 0.27 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 3e7n h VAL 57 CO -0.06 0.26 0.10 0.58 0.02 0.00 0.00 177.57 178.47 3e7n h VAL 58 N 0.43 0.76 0.00 2.57 2.07 -0.90 -2.41 116.25 118.77 3e7n h VAL 58 Ca 0.11 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3e7n h VAL 58 Cb 0.30 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3e7n h VAL 58 CO 0.00 0.04 0.00 0.35 0.02 0.00 0.00 177.57 177.98 3e7n n THR 59 N -5.09 0.57 0.21 2.57 -2.24 -0.47 -2.03 114.28 107.80 3e7n n THR 59 Ca 0.04 0.14 0.06 0.00 -2.27 0.00 0.00 64.05 62.03 3e7n n THR 59 Cb 0.22 -0.80 0.44 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.25 -0.78 3.08 -1.10 -3.45 114.38 110.89 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 0.31 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.02 3e7n h ARG 60 CO 0.00 0.31 0.17 0.39 -1.07 0.00 0.00 179.97 179.77 3e7n n GLU 61 N -3.74 3.09 -3.66 0.04 1.02 -0.86 -5.08 120.64 111.45 3e7n n GLU 61 Ca -0.01 -3.80 -0.23 0.00 -0.02 0.00 0.00 57.16 53.10 3e7n n GLU 61 Cb 0.41 -2.28 -0.17 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 -3.77 0.06 -0.17 3.49 -1.52 -1.26 -5.06 119.66 111.43 3e7n s GLN 63 Ca 0.55 0.14 -0.05 0.00 -1.95 0.00 0.00 55.36 54.05 3e7n s GLN 63 Cb 0.45 -1.14 -0.03 0.00 -0.22 0.00 0.00 33.01 32.06 3e7n s GLN 63 CO -0.12 -0.48 0.00 0.08 -0.25 0.00 0.00 175.29 174.53 3e7n s VAL 64 N 2.13 4.25 -0.06 1.09 1.01 -1.25 -1.46 120.40 126.12 3e7n s VAL 64 Ca 0.04 -0.23 0.12 0.00 0.00 0.00 0.00 61.98 61.91 3e7n s VAL 64 Cb -0.14 -2.89 -0.19 0.00 0.00 0.00 0.00 36.38 33.17 3e7n s VAL 64 CO -0.06 0.48 0.28 -1.84 0.00 0.00 0.00 175.10 173.97 3e7n n GLU 65 N 3.53 0.57 -3.49 2.72 0.28 0.41 -4.69 120.64 119.98 3e7n n GLU 65 Ca -0.17 -0.10 -0.13 0.00 -0.16 0.00 0.00 57.16 56.60 3e7n n GLU 65 Cb 0.52 -1.27 -0.03 0.00 1.43 0.00 0.00 31.44 32.09 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 -2.79 -1.46 -0.01 -1.84 0.00 -1.18 -2.17 121.76 112.30 3e7n s ALA 66 Ca -0.04 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.44 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 0.51 -0.66 -0.02 0.00 0.00 0.00 0.00 175.76 175.59 3e7n s ALA 67 N -3.26 0.22 -0.06 0.00 0.00 0.88 -0.97 121.76 118.59 3e7n s ALA 67 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.95 3e7n s ALA 67 Cb -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 3e7n s ALA 67 CO -0.08 0.03 -0.18 0.42 0.00 0.00 0.00 175.76 175.94 3e7n s ILE 68 N 0.16 2.68 0.14 0.00 1.01 0.33 -1.75 121.20 123.77 3e7n s ILE 68 Ca -0.01 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.83 3e7n s ILE 68 Cb -0.04 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 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 -0.45 2.52 0.20 2.97 1.43 -0.42 -1.39 118.68 123.53 3e7n s LEU 69 Ca 0.05 -0.99 -0.30 0.00 -1.03 0.00 0.00 54.13 51.86 3e7n s LEU 69 Cb -0.12 -0.32 -0.08 0.00 0.03 0.00 0.00 46.19 45.70 3e7n s LEU 69 CO 0.02 -0.33 0.98 0.00 0.23 0.00 0.00 176.35 177.25 3e7n s ALA 70 N -3.25 3.32 0.34 4.21 0.00 -1.26 -1.44 121.76 123.69 3e7n s ALA 70 Ca 0.15 0.66 0.10 0.00 0.00 0.00 0.00 51.96 52.87 3e7n s ALA 70 Cb 0.02 -3.26 0.84 0.00 0.00 0.00 0.00 23.12 20.72 3e7n s ALA 70 CO 0.00 0.05 1.81 1.15 0.00 0.00 0.00 175.76 178.77 3e7n h THR 71 N 3.48 0.73 -0.10 0.00 2.02 -1.06 -2.05 112.91 115.92 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 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3e7n h THR 71 CO 0.70 0.12 0.17 -0.33 0.37 0.00 0.00 175.52 176.55 3e7n h GLU 72 N 0.66 0.00 -0.24 6.66 3.07 -1.92 -2.10 114.58 120.71 3e7n h GLU 72 Ca 0.53 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.35 3e7n h GLU 72 Cb 0.94 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 3e7n h GLU 72 CO -0.29 0.00 -0.00 0.97 -1.40 0.00 0.00 179.01 178.29 3e7n h ILE 73 N 0.00 1.15 0.01 3.13 2.10 -1.66 -1.87 117.51 120.37 3e7n h ILE 73 Ca 0.05 -0.58 0.02 0.00 1.08 0.00 0.00 64.86 65.43 3e7n h ILE 73 Cb 0.39 0.97 -0.02 0.00 -1.09 0.00 0.00 36.82 37.07 3e7n h ILE 73 CO -0.00 0.20 -0.12 0.11 -1.08 0.00 0.00 178.15 177.26 3e7n h LYS 74 N 0.34 -0.20 0.19 2.19 1.57 -1.58 -0.41 116.57 118.67 3e7n h LYS 74 Ca 0.08 0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.55 3e7n h LYS 74 Cb 0.23 0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.61 3e7n h LYS 74 CO 0.01 -0.13 -1.46 1.96 -0.57 0.00 0.00 179.45 179.25 3e7n h GLN 75 N -0.21 0.40 -0.01 3.15 1.08 -1.74 -3.33 115.11 114.46 3e7n h GLN 75 Ca 0.04 -0.69 0.00 0.00 -1.45 0.00 0.00 58.65 56.55 3e7n h GLN 75 Cb 0.26 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3e7n h GLN 75 CO -0.12 1.31 -0.77 1.04 -0.95 0.00 0.00 178.83 179.35 3e7n n GLN 76 N -3.61 0.58 -2.85 1.46 6.02 -0.71 -4.49 117.38 113.78 3e7n n GLN 76 Ca -0.16 -0.43 -0.11 0.00 -0.01 0.00 0.00 57.00 56.29 3e7n n GLN 76 Cb 1.07 -1.48 0.05 0.00 1.02 0.00 0.00 30.24 30.90 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 -0.85 -0.93 -0.05 1.08 2.85 -0.17 -4.66 115.26 112.52 3e7n n ASN 77 Ca 0.06 -3.19 -0.00 0.00 -0.11 0.00 0.00 54.58 51.34 3e7n n ASN 77 Cb 0.39 0.76 0.28 0.00 1.24 0.00 0.00 39.78 42.45 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 2.83 0.65 -0.44 1.20 0.13 -1.66 -0.92 132.00 133.80 3e7n h PRO 78 Ca -0.07 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 3e7n h PRO 78 Cb 1.10 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 3e7n h PRO 78 CO 0.25 0.59 0.20 0.37 -0.23 0.00 0.00 178.00 179.18 3e7n h GLN 79 N 0.64 0.64 -0.32 0.86 4.15 -1.91 -0.46 115.11 118.71 3e7n h GLN 79 Ca 0.15 -0.10 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 3e7n h GLN 79 Cb 0.23 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3e7n h GLN 79 CO -0.00 0.56 -0.14 1.25 -1.93 0.00 0.00 178.83 178.56 3e7n h LEU 80 N 0.57 0.67 -0.54 -2.39 5.85 -1.86 -2.13 115.31 115.48 3e7n h LEU 80 Ca 0.15 -0.40 0.11 0.00 0.84 0.00 0.00 57.88 58.58 3e7n h LEU 80 Cb 0.14 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 40.88 3e7n h LEU 80 CO -0.02 0.93 -0.12 -0.74 -0.34 0.00 0.00 178.44 178.15 3e7n h HIS 81 N 0.42 -0.26 -0.21 1.25 2.76 -0.93 -0.32 115.15 117.86 3e7n h HIS 81 Ca 0.07 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3e7n h HIS 81 Cb 0.67 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.82 3e7n h HIS 81 CO 0.06 -0.22 0.13 1.49 -1.30 0.00 0.00 177.93 178.09 3e7n h GLU 82 N 0.01 0.28 -0.94 5.26 4.57 -0.94 -1.15 114.58 121.68 3e7n h GLU 82 Ca 0.26 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.45 3e7n h GLU 82 Cb 0.40 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 3e7n h GLU 82 CO -0.54 0.22 0.62 1.15 -1.18 0.00 0.00 179.01 179.27 3e7n h THR 83 N 0.26 1.16 -0.22 0.32 2.02 -0.73 -1.19 112.91 114.53 3e7n h THR 83 Ca 0.08 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 3e7n h THR 83 Cb 0.00 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 3e7n h THR 83 CO -0.01 0.22 -0.07 0.25 0.37 0.00 0.00 175.52 176.27 3e7n h LEU 84 N 1.18 0.45 -0.52 2.58 5.85 -0.68 -1.25 115.31 122.92 3e7n h LEU 84 Ca 0.37 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3e7n h LEU 84 Cb 0.01 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3e7n h LEU 84 CO -0.11 0.73 0.27 -0.07 -0.34 0.00 0.00 178.44 178.92 3e7n h LEU 85 N 0.16 0.67 -0.58 2.25 3.38 -0.87 0.11 115.31 120.43 3e7n h LEU 85 Ca 0.05 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3e7n h LEU 85 Cb 0.55 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3e7n h LEU 85 CO 0.03 0.59 0.35 0.74 0.09 0.00 0.00 178.44 180.23 3e7n h THR 86 N 0.70 1.05 -0.50 0.22 2.02 -1.16 0.06 112.91 115.29 3e7n h THR 86 Ca 0.18 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3e7n h THR 86 Cb 0.08 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3e7n h THR 86 CO -0.03 0.13 0.12 -0.74 0.37 0.00 0.00 175.52 175.36 3e7n h HIS 87 N 0.69 0.85 0.00 3.16 -0.00 -0.66 -1.71 115.15 117.47 3e7n h HIS 87 Ca 0.24 -0.10 -0.05 0.00 -0.00 0.00 0.00 60.37 60.45 3e7n h HIS 87 Cb 0.04 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 3e7n h HIS 87 CO -0.06 0.76 -0.25 -0.07 -0.00 0.00 0.00 177.93 178.31 3e7n h LEU 88 N 0.70 0.00 -0.48 0.26 3.38 -0.51 -0.47 115.31 118.19 3e7n h LEU 88 Ca 0.16 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3e7n h LEU 88 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3e7n h LEU 88 CO 0.00 0.25 0.11 -0.08 0.09 0.00 0.00 178.44 178.81 3e7n h GLU 89 N 0.00 0.77 -0.05 1.13 4.81 -0.52 -1.84 114.58 118.88 3e7n h GLU 89 Ca -0.00 -0.19 -0.19 0.00 -0.13 0.00 0.00 59.36 58.84 3e7n h GLU 89 Cb 0.46 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 3e7n h GLU 89 CO 0.03 0.76 -0.78 1.96 -0.73 0.00 0.00 179.01 180.25 3e7n h GLN 90 N 0.65 0.36 -0.27 1.92 4.20 -0.92 -2.89 115.11 118.17 3e7n h GLN 90 Ca 0.15 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3e7n h GLN 90 Cb 0.35 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3e7n h GLN 90 CO 0.00 0.98 0.13 1.25 -0.67 0.00 0.00 178.83 180.52 3e7n h LEU 91 N 0.23 0.35 -1.10 1.46 5.85 -1.03 -1.81 115.31 119.27 3e7n h LEU 91 Ca -0.04 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3e7n h LEU 91 Cb 1.37 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 3e7n h LEU 91 CO 0.13 0.37 0.04 0.06 -0.34 0.00 0.00 178.44 178.70 3e7n h GLN 92 N 0.31 0.67 0.03 1.25 3.07 -1.32 0.29 115.11 119.41 3e7n h GLN 92 Ca 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 58.65 58.68 3e7n h GLN 92 Cb 0.11 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.58 3e7n h GLN 92 CO -0.01 0.66 -0.02 1.96 0.09 0.00 0.00 178.83 181.51 3e7n h GLN 93 N 0.64 -0.04 -0.46 0.06 4.20 -1.29 0.26 115.11 118.48 3e7n h GLN 93 Ca 0.14 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3e7n h GLN 93 Cb 0.34 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3e7n h GLN 93 CO 0.01 0.07 0.16 0.45 -0.67 0.00 0.00 178.83 178.85 3e7n h HIS 94 N -0.14 0.66 0.00 2.96 3.86 -0.85 -2.66 115.15 118.98 3e7n h HIS 94 Ca -0.00 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3e7n h HIS 94 Cb 0.13 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 3e7n h HIS 94 CO -0.04 0.54 -0.11 1.96 0.86 0.00 0.00 177.93 181.13 3e7n h GLN 95 N 0.66 0.00 -0.51 2.45 4.20 -0.19 -3.47 115.11 118.24 3e7n h GLN 95 Ca 0.16 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 3e7n h GLN 95 Cb 0.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3e7n h GLN 95 CO -0.01 0.11 -0.10 0.41 -0.67 0.00 0.00 178.83 178.57 3e7n n GLY 96 N 0.67 0.34 0.00 3.46 0.00 0.81 -5.01 105.19 105.46 3e7n n GLY 96 Ca 0.02 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 1.20 0.39 -3.84 1.61 6.94 -0.51 -5.01 115.26 116.04 3e7n n ASN 97 Ca -0.05 -0.51 -0.28 0.00 -0.02 0.00 0.00 54.58 53.73 3e7n n ASN 97 Cb 0.43 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.68 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 -1.22 0.93 -0.34 5.53 -1.32 -1.26 -4.39 115.64 113.57 3e7n s THR 98 Ca 0.00 -0.65 -0.26 0.00 -1.21 0.00 0.00 61.69 59.57 3e7n s THR 98 Cb 0.00 -1.23 0.01 0.00 -1.51 0.00 0.00 72.50 69.78 3e7n s THR 98 CO 0.00 -0.01 0.95 -0.63 -2.21 0.00 0.00 174.62 172.72 3e7n s ILE 99 N 1.69 4.60 -0.01 5.08 1.01 -1.26 -4.87 121.20 127.44 3e7n s ILE 99 Ca -0.01 1.39 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 3e7n s ILE 99 Cb -0.16 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 3e7n s ILE 99 CO -0.07 -0.46 1.13 -0.75 0.00 0.00 0.00 174.94 174.78 3e7n s LYS 100 N 3.44 4.43 -0.12 2.79 2.20 -0.92 -4.88 119.74 126.68 3e7n s LYS 100 Ca 0.40 1.61 -0.01 0.00 -0.36 0.00 0.00 55.97 57.61 3e7n s LYS 100 Cb -0.12 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3e7n s LYS 100 CO 0.16 -0.28 -0.07 0.42 -0.36 0.00 0.00 175.35 175.22 3e7n s ILE 101 N 1.54 3.63 0.08 5.43 1.09 -1.26 -0.08 121.20 131.62 3e7n s ILE 101 Ca 0.55 -0.47 -0.02 0.00 -1.10 0.00 0.00 60.65 59.61 3e7n s ILE 101 Cb -0.25 -2.54 -0.04 0.00 -1.06 0.00 0.00 42.46 38.58 3e7n s ILE 101 CO 0.25 0.54 0.02 -0.94 -0.10 0.00 0.00 174.94 174.71 3e7n s SER 102 N -0.05 0.40 -0.01 3.58 1.04 -0.72 -4.98 113.70 112.96 3e7n s SER 102 Ca 0.00 -1.02 0.06 0.00 0.48 0.00 0.00 55.95 55.46 3e7n s SER 102 Cb -0.13 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 3e7n s SER 102 CO 0.03 -0.65 -0.18 -0.31 0.98 0.00 0.00 173.24 173.11 3e7n s TYR 103 N -3.95 1.58 0.26 5.02 2.02 -1.26 -1.30 117.35 119.72 3e7n s TYR 103 Ca 0.11 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.52 3e7n s TYR 103 Cb 0.07 -1.01 -0.05 0.00 -0.40 0.00 0.00 41.96 40.58 3e7n s TYR 103 CO -0.07 -0.01 0.12 0.95 -1.57 0.00 0.00 175.55 174.97 3e7n s THR 104 N -0.47 0.42 0.72 -0.71 -4.23 -0.52 -4.88 115.64 105.96 3e7n s THR 104 Ca 0.07 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.42 3e7n s THR 104 Cb -0.07 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.22 3e7n s THR 104 CO -0.00 0.00 1.21 0.42 -0.54 0.00 0.00 174.62 175.71 3e7n s THR 105 N -3.78 2.32 0.30 3.99 -4.23 -1.26 -0.44 115.64 112.54 3e7n s THR 105 Ca 0.37 0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 61.03 3e7n s THR 105 Cb 0.07 -2.76 0.25 0.00 1.34 0.00 0.00 72.50 71.40 3e7n s THR 105 CO 0.14 -0.08 1.95 -0.74 -0.54 0.00 0.00 174.62 175.36 3e7n h HIS 106 N -0.20 1.01 -0.65 3.99 2.76 -1.93 0.48 115.15 120.62 3e7n h HIS 106 Ca -0.48 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 57.76 3e7n h HIS 106 Cb 1.30 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 29.87 3e7n h HIS 106 CO 0.47 0.66 0.36 0.93 -1.30 0.00 0.00 177.93 179.05 3e7n h GLU 107 N 1.07 0.65 -0.12 5.26 4.39 -2.00 -0.73 114.58 123.10 3e7n h GLU 107 Ca 0.28 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.77 3e7n h GLU 107 Cb -0.08 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 3e7n h GLU 107 CO -0.06 0.43 -0.65 0.37 -1.16 0.00 0.00 179.01 177.94 3e7n h GLN 108 N 0.67 0.45 -0.22 2.33 5.75 -1.76 -2.75 115.11 119.58 3e7n h GLN 108 Ca 0.29 -0.33 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 3e7n h GLN 108 Cb 0.17 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 3e7n h GLN 108 CO -0.18 0.95 0.01 0.35 -2.65 0.00 0.00 178.83 177.30 3e7n h PHE 109 N 0.32 -0.00 -0.85 3.99 3.57 -0.42 -1.51 116.94 122.04 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 1.20 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 3e7n h PHE 109 CO 0.04 -0.03 0.52 0.87 -2.23 0.00 0.00 178.31 177.48 3e7n h LYS 110 N 0.08 0.90 -0.59 1.11 1.57 -1.01 -1.66 116.57 116.97 3e7n h LYS 110 Ca 0.10 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3e7n h LYS 110 Cb 0.13 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3e7n h LYS 110 CO -0.17 0.59 0.23 0.87 -0.57 0.00 0.00 179.45 180.40 3e7n h LYS 111 N 0.93 0.88 -0.18 3.15 1.57 -1.16 -2.53 116.57 119.23 3e7n h LYS 111 Ca 0.38 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3e7n h LYS 111 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3e7n h LYS 111 CO -0.19 0.76 0.01 -0.07 -0.57 0.00 0.00 179.45 179.38 3e7n h LEU 112 N 0.81 0.23 -2.27 2.94 3.38 -0.56 -1.76 115.31 118.08 3e7n h LEU 112 Ca 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3e7n h LEU 112 Cb 0.21 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3e7n h LEU 112 CO -0.01 0.27 -0.04 0.71 0.09 0.00 0.00 178.44 179.45 3e7n h THR 113 N 0.25 0.57 0.00 0.22 1.35 -0.88 -1.15 112.91 113.27 3e7n h THR 113 Ca 0.06 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3e7n h THR 113 Cb 0.16 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.69 3e7n h THR 113 CO 0.00 0.04 -0.01 0.00 -0.25 0.00 0.00 175.52 175.30 3e7n h ALA 114 N 1.96 1.05 -0.08 6.62 0.00 -1.30 -2.49 119.26 125.02 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 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3e7n h ALA 114 CO 0.01 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.02 3e7n n ASP 115 N -3.16 2.92 -4.88 0.00 8.00 -0.43 -4.62 116.55 114.37 3e7n n ASP 115 Ca -0.02 -1.95 -0.30 0.00 0.71 0.00 0.00 54.79 53.23 3e7n n ASP 115 Cb 0.15 -0.04 0.04 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.92 5.49 0.16 -2.24 1.04 -0.94 -4.74 113.70 110.54 3e7n s SER 116 Ca 0.30 1.18 -0.02 0.00 0.48 0.00 0.00 55.95 57.89 3e7n s SER 116 Cb 0.20 -2.00 -0.01 0.00 0.10 0.00 0.00 66.02 64.31 3e7n s SER 116 CO 0.31 -1.32 1.37 1.56 0.98 0.00 0.00 173.24 176.14 3e7n h GLN 117 N -0.64 0.36 -2.30 4.02 1.08 -1.31 -3.44 115.11 112.88 3e7n h GLN 117 Ca -0.45 -0.35 -0.00 0.00 -1.45 0.00 0.00 58.65 56.40 3e7n h GLN 117 Cb 1.25 0.09 -0.17 0.00 -0.05 0.00 0.00 27.48 28.60 3e7n h GLN 117 CO 0.63 1.02 0.29 0.00 -0.95 0.00 0.00 178.83 179.83 3e7n s ALA 118 N -3.39 -1.75 -0.20 3.87 0.00 -1.26 -3.23 121.76 115.80 3e7n s ALA 118 Ca -0.05 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.91 3e7n s ALA 118 Cb 0.10 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 3e7n s ALA 118 CO 0.85 -0.54 -0.03 0.08 0.00 0.00 0.00 175.76 176.12 3e7n s VAL 119 N -2.30 3.66 -0.38 0.00 1.01 -0.09 -1.25 120.40 121.05 3e7n s VAL 119 Ca -0.03 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 3e7n s VAL 119 Cb -0.01 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3e7n s VAL 119 CO -0.02 0.43 0.30 -0.63 0.00 0.00 0.00 175.10 175.19 3e7n s ILE 120 N 1.12 5.24 -0.22 2.22 1.01 0.14 -1.04 121.20 129.67 3e7n s ILE 120 Ca 0.02 -0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.10 3e7n s ILE 120 Cb -0.15 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 3e7n s ILE 120 CO 0.00 -0.19 0.54 -0.60 0.00 0.00 0.00 174.94 174.70 3e7n s ARG 121 N 1.79 4.15 0.58 2.79 3.52 -0.02 -1.46 118.95 130.29 3e7n s ARG 121 Ca 0.07 0.43 0.04 0.00 -0.13 0.00 0.00 55.73 56.14 3e7n s ARG 121 Cb -0.18 -3.60 0.07 0.00 -1.56 0.00 0.00 34.95 29.68 3e7n s ARG 121 CO 0.11 -0.25 0.80 -1.54 -0.81 0.00 0.00 175.30 173.61 3e7n s SER 122 N 1.31 5.05 0.00 -2.12 1.04 -0.44 -1.67 113.70 116.87 3e7n s SER 122 Ca 0.24 -0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.37 3e7n s SER 122 Cb -0.16 -0.31 0.26 0.00 0.10 0.00 0.00 66.02 65.91 3e7n s SER 122 CO 0.09 -1.32 1.21 0.61 0.98 0.00 0.00 173.24 174.82 3e7n n GLY 123 N -2.36 0.26 3.74 7.32 0.00 0.47 -3.28 105.19 111.34 3e7n n GLY 123 Ca 0.12 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.64 4.21 -0.00 1.61 2.56 -1.24 0.29 118.70 124.48 3e7n s GLU 124 Ca 0.18 2.40 0.13 0.00 0.00 0.00 0.00 54.97 57.68 3e7n s GLU 124 Cb 0.10 -3.11 -0.15 0.00 2.00 0.00 0.00 34.13 32.97 3e7n s GLU 124 CO 0.13 -0.55 0.52 0.00 -0.56 0.00 0.00 175.26 174.80 3e7n s SER 126 N -2.46 3.98 0.30 0.00 1.04 -1.26 -4.98 113.70 110.32 3e7n s SER 126 Ca 0.03 1.67 -0.28 0.00 0.48 0.00 0.00 55.95 57.85 3e7n s SER 126 Cb 0.10 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.77 3e7n s SER 126 CO 0.55 -2.34 1.03 -2.84 0.98 0.00 0.00 173.24 170.62 3e7n s PRO 127 N -4.91 4.57 -1.45 4.02 0.02 -1.26 -4.05 135.00 131.94 3e7n s PRO 127 Ca 0.62 1.61 -0.04 0.00 0.02 0.00 0.00 61.00 63.22 3e7n s PRO 127 Cb -0.18 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.35 3e7n s PRO 127 CO 0.57 0.20 0.33 0.66 -0.33 0.00 0.00 177.00 178.43 3e7n n TYR 128 N 0.88 -1.62 -2.01 6.54 4.01 -1.26 -4.57 117.16 119.13 3e7n n TYR 128 Ca 0.00 0.30 -0.42 0.00 -0.16 0.00 0.00 57.90 57.63 3e7n n TYR 128 Cb 0.47 -3.71 -0.00 0.00 -0.31 0.00 0.00 39.34 35.79 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 5.84 -3.44 -0.72 0.00 -1.26 -4.74 120.51 113.23 3e7n n ALA 129 Ca -0.13 -4.08 -0.16 0.00 0.00 0.00 0.00 53.44 49.08 3e7n n ALA 129 Cb 0.62 -3.16 -0.15 0.00 0.00 0.00 0.00 19.45 16.75 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 1.61 0.30 -0.01 0.00 0.01 -1.26 -1.84 114.94 113.76 3e7n s ASN 130 Ca 0.47 -0.02 0.01 0.00 -0.71 0.00 0.00 52.86 52.61 3e7n s ASN 130 Cb 0.13 -0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.66 3e7n s ASN 130 CO -0.04 -0.07 -0.03 0.54 -1.51 0.00 0.00 177.10 175.99 3e7n s VAL 131 N 0.69 0.27 -0.28 1.60 0.11 -0.06 -4.50 120.40 118.23 3e7n s VAL 131 Ca -0.07 -0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 58.73 3e7n s VAL 131 Cb -0.09 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 3e7n s VAL 131 CO -0.01 0.09 0.28 -0.63 -3.33 0.00 0.00 175.10 171.49 3e7n s ILE 132 N 0.06 5.25 -0.19 7.04 1.01 -0.49 -1.28 121.20 132.60 3e7n s ILE 132 Ca -0.00 0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.89 3e7n s ILE 132 Cb -0.03 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 3e7n s ILE 132 CO -0.00 0.20 0.11 -0.76 0.00 0.00 0.00 174.94 174.49 3e7n s LEU 133 N 1.90 4.12 -0.18 2.97 1.43 0.15 -0.51 118.68 128.56 3e7n s LEU 133 Ca 0.11 0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.36 3e7n s LEU 133 Cb -0.16 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 3e7n s LEU 133 CO 0.11 0.20 0.02 0.00 0.23 0.00 0.00 176.35 176.90 3e7n s ALA 135 N 0.53 3.37 -0.27 0.00 0.00 -0.23 -0.44 121.76 124.72 3e7n s ALA 135 Ca 0.00 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 3e7n s ALA 135 Cb -0.14 -3.39 0.18 0.00 0.00 0.00 0.00 23.12 19.78 3e7n s ALA 135 CO 0.02 -0.30 1.30 0.20 0.00 0.00 0.00 175.76 176.98 3e7n s GLY 136 N 0.34 0.04 0.16 0.00 0.00 -0.53 -0.76 107.32 106.57 3e7n s GLY 136 Ca 0.53 2.74 0.06 0.00 0.00 0.00 0.00 44.72 48.05 3e7n s GLY 136 CO 0.33 1.15 -0.12 -1.34 0.00 0.00 0.00 173.10 173.11 3e7n s VAL 137 N -0.96 1.41 -1.44 1.40 -7.23 -1.26 -3.68 120.40 108.63 3e7n s VAL 137 Ca 0.07 -2.05 0.12 0.00 -1.81 0.00 0.00 61.98 58.30 3e7n s VAL 137 Cb -0.01 -1.86 0.09 0.00 0.56 0.00 0.00 36.38 35.16 3e7n s VAL 137 CO -0.07 -0.63 0.87 0.35 -0.31 0.00 0.00 175.10 175.31