#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rfl s SER 4 N 0.00 0.08 -0.06 0.00 0.15 -1.26 -5.16 113.70 107.45 2rfl s SER 4 Ca 0.00 -0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.45 2rfl s SER 4 Cb 0.00 0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 64.47 2rfl s SER 4 CO 0.00 -0.31 -0.20 -0.36 1.20 0.00 0.00 173.24 173.57 2rfl s PHE 5 N -1.25 2.55 0.07 3.44 0.40 -1.26 -4.38 117.98 117.55 2rfl s PHE 5 Ca -0.13 -0.46 -0.31 0.00 -0.60 0.00 0.00 56.93 55.43 2rfl s PHE 5 Cb -0.08 -1.62 -0.07 0.00 0.51 0.00 0.00 43.02 41.77 2rfl s PHE 5 CO 0.01 -0.04 1.41 -2.14 0.70 0.00 0.00 175.22 175.15 2rfl s PRO 6 N -0.39 4.30 0.00 0.24 0.02 -1.22 -4.08 135.00 133.87 2rfl s PRO 6 Ca 0.04 2.04 0.27 0.00 0.02 0.00 0.00 61.00 63.37 2rfl s PRO 6 Cb -0.12 -3.40 0.89 0.00 0.02 0.00 0.00 34.50 31.89 2rfl s PRO 6 CO 0.02 -0.50 1.67 -2.37 -0.33 0.00 0.00 177.00 175.48 2rfl n THR 7 N 4.27 0.00 -3.74 0.99 5.66 -0.50 -4.78 114.28 116.18 2rfl n THR 7 Ca 0.12 -0.02 -0.13 0.00 -3.05 0.00 0.00 64.05 60.97 2rfl n THR 7 Cb 0.43 -0.03 -0.14 0.00 -1.55 0.00 0.00 70.33 69.04 2rfl n THR 7 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2rfl s ARG 8 N -2.85 0.15 -0.07 1.09 3.52 -1.12 -3.20 118.95 116.47 2rfl s ARG 8 Ca 0.17 0.44 0.02 0.00 -0.13 0.00 0.00 55.73 56.23 2rfl s ARG 8 Cb 0.19 -0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.41 2rfl s ARG 8 CO 0.59 -0.16 -0.13 0.08 -0.81 0.00 0.00 175.30 174.87 2rfl s VAL 9 N 1.16 3.14 -0.10 7.11 1.01 -0.36 -1.83 120.40 130.53 2rfl s VAL 9 Ca -0.09 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2rfl s VAL 9 Cb -0.11 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 2rfl s VAL 9 CO -0.07 0.58 -0.14 -0.31 0.00 0.00 0.00 175.10 175.15 2rfl s TYR 10 N -0.47 2.76 -0.21 5.22 1.51 0.28 -0.91 117.35 125.52 2rfl s TYR 10 Ca 0.06 -0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 55.55 2rfl s TYR 10 Cb -0.12 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 2rfl s TYR 10 CO 0.02 -0.11 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.79 2rfl s LEU 11 N 0.04 2.90 -0.12 -1.29 1.43 -0.38 -2.02 118.68 119.24 2rfl s LEU 11 Ca -0.05 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2rfl s LEU 11 Cb -0.15 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.37 2rfl s LEU 11 CO 0.04 0.00 -0.06 -0.22 0.23 0.00 0.00 176.35 176.34 2rfl s LEU 12 N 1.35 1.19 0.16 1.79 2.96 -0.59 -1.09 118.68 124.44 2rfl s LEU 12 Ca 0.04 -0.35 -0.27 0.00 -0.22 0.00 0.00 54.13 53.33 2rfl s LEU 12 Cb -0.14 -0.80 -0.07 0.00 0.50 0.00 0.00 46.19 45.67 2rfl s LEU 12 CO -0.02 -0.14 0.85 -0.60 -1.32 0.00 0.00 176.35 175.12 2rfl s ARG 13 N 1.73 4.66 0.69 1.98 3.52 -0.81 -2.55 118.95 128.17 2rfl s ARG 13 Ca 0.04 1.29 -0.17 0.00 -0.13 0.00 0.00 55.73 56.76 2rfl s ARG 13 Cb -0.13 -3.31 -0.10 0.00 -1.56 0.00 0.00 34.95 29.86 2rfl s ARG 13 CO -0.08 0.44 0.08 -2.39 -0.81 0.00 0.00 175.30 172.55 2rfl n HIS 14 N 1.99 -2.26 -1.61 5.12 1.44 -0.98 -0.47 115.22 118.44 2rfl n HIS 14 Ca -0.03 0.32 -0.30 0.00 -2.01 0.00 0.00 57.72 55.70 2rfl n HIS 14 Cb 0.49 -1.76 0.08 0.00 0.12 0.00 0.00 29.99 28.92 2rfl n HIS 14 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2rfl s ALA 15 N -1.95 2.39 0.60 1.59 0.00 -1.26 -1.03 121.76 122.10 2rfl s ALA 15 Ca 0.58 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.15 2rfl s ALA 15 Cb -0.37 -3.10 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 2rfl s ALA 15 CO 0.65 -1.60 0.39 1.63 0.00 0.00 0.00 175.76 176.83 2rfl n LYS 16 N -3.34 0.37 -4.37 0.00 5.02 -1.26 -4.80 118.16 109.78 2rfl n LYS 16 Ca 0.07 0.15 -0.23 0.00 -2.02 0.00 0.00 58.31 56.28 2rfl n LYS 16 Cb 0.56 -1.60 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 2rfl n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rfl s ALA 17 N -1.81 2.24 0.67 7.82 0.00 -1.26 -2.85 121.76 126.56 2rfl s ALA 17 Ca 0.65 -1.60 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 2rfl s ALA 17 Cb -0.43 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2rfl s ALA 17 CO 0.58 0.27 1.24 0.00 0.00 0.00 0.00 175.76 177.85 2rfl s ALA 18 N -2.11 2.31 0.33 0.00 0.00 -0.39 -4.66 121.76 117.25 2rfl s ALA 18 Ca 0.19 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 52.93 2rfl s ALA 18 Cb -0.06 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 2rfl s ALA 18 CO 0.09 -1.61 0.94 -1.58 0.00 0.00 0.00 175.76 173.60 2rfl s TRP 19 N -1.68 3.65 0.37 0.00 0.52 -1.26 -4.71 118.94 115.83 2rfl s TRP 19 Ca 0.78 1.76 -0.24 0.00 0.02 0.00 0.00 56.10 58.42 2rfl s TRP 19 Cb -0.32 -2.91 -0.13 0.00 -1.15 0.00 0.00 33.47 28.95 2rfl s TRP 19 CO 0.40 0.18 0.64 0.00 0.02 0.00 0.00 176.95 178.19 2rfl n ALA 20 N 0.44 -1.37 -1.73 0.98 0.00 -1.26 -4.99 120.51 112.59 2rfl n ALA 20 Ca 0.02 0.23 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 2rfl n ALA 20 Cb 0.50 -1.81 0.10 0.00 0.00 0.00 0.00 19.45 18.24 2rfl n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rfl s ALA 21 N -1.34 2.37 -0.06 0.00 0.00 -1.26 -4.97 121.76 116.49 2rfl s ALA 21 Ca 0.62 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 2rfl s ALA 21 Cb -0.65 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 2rfl s ALA 21 CO 0.58 -1.77 1.70 -2.14 0.00 0.00 0.00 175.76 174.13 2rfl s PRO 22 N -5.38 4.13 0.00 0.00 0.02 -1.26 -2.86 135.00 129.65 2rfl s PRO 22 Ca 0.62 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.84 2rfl s PRO 22 Cb -0.13 -4.02 0.00 0.00 0.02 0.00 0.00 34.50 30.37 2rfl s PRO 22 CO 0.52 -0.91 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 2rfl n GLY 23 N 4.25 2.98 3.51 0.52 0.00 -1.26 -5.06 105.19 110.13 2rfl n GLY 23 Ca 0.18 -0.78 -0.49 0.00 0.00 0.00 0.00 46.02 44.92 2rfl n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rfl n GLU 24 N 0.00 0.66 -2.77 1.61 4.07 -1.13 -4.96 120.64 118.12 2rfl n GLU 24 Ca 0.00 0.23 -0.40 0.00 -0.06 0.00 0.00 57.16 56.94 2rfl n GLU 24 Cb 0.00 -1.56 -0.06 0.00 -0.06 0.00 0.00 31.44 29.76 2rfl n GLU 24 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2rfl s ARG 25 N -0.72 4.81 0.46 5.31 0.52 -1.26 -4.62 118.95 123.46 2rfl s ARG 25 Ca 0.70 1.45 0.24 0.00 -0.52 0.00 0.00 55.73 57.61 2rfl s ARG 25 Cb -0.91 -3.23 1.26 0.00 0.52 0.00 0.00 34.95 32.59 2rfl s ARG 25 CO 0.55 0.50 1.84 0.22 0.02 0.00 0.00 175.30 178.43 2rfl h ASP 26 N 4.06 0.25 -0.48 0.23 3.58 -1.96 -0.79 116.42 121.30 2rfl h ASP 26 Ca -0.45 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2rfl h ASP 26 Cb 1.20 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 2rfl h ASP 26 CO 0.68 0.08 0.31 0.15 -2.88 0.00 0.00 179.24 177.57 2rfl h PHE 27 N 0.23 0.62 0.00 0.28 3.57 -2.02 -2.76 116.94 116.87 2rfl h PHE 27 Ca 0.49 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.00 2rfl h PHE 27 Cb 1.53 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2rfl h PHE 27 CO -0.00 0.41 0.00 -0.25 -2.23 0.00 0.00 178.31 176.24 2rfl n ASP 28 N -4.73 0.00 -4.66 0.41 9.92 -0.31 -2.74 116.55 114.43 2rfl n ASP 28 Ca 0.02 -1.15 -0.42 0.00 -0.53 0.00 0.00 54.79 52.70 2rfl n ASP 28 Cb 0.04 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.49 2rfl n ASP 28 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2rfl s ARG 29 N -2.00 4.18 0.71 -1.24 3.52 -1.04 -4.83 118.95 118.25 2rfl s ARG 29 Ca 0.18 2.13 -0.11 0.00 -0.13 0.00 0.00 55.73 57.81 2rfl s ARG 29 Cb 0.08 -3.97 0.02 0.00 -1.56 0.00 0.00 34.95 29.52 2rfl s ARG 29 CO 0.14 -0.84 1.07 0.20 -0.81 0.00 0.00 175.30 175.06 2rfl s GLY 30 N 3.24 1.66 0.87 8.12 0.00 -1.26 -2.54 107.32 117.41 2rfl s GLY 30 Ca 0.72 0.07 -0.11 0.00 0.00 0.00 0.00 44.72 45.40 2rfl s GLY 30 CO 0.28 0.39 1.10 -2.27 0.00 0.00 0.00 173.10 172.60 2rfl s LEU 31 N -5.59 2.54 0.34 0.66 2.96 -1.26 -1.26 118.68 117.07 2rfl s LEU 31 Ca 0.58 1.72 0.07 0.00 -0.22 0.00 0.00 54.13 56.29 2rfl s LEU 31 Cb -0.14 -4.20 -0.02 0.00 0.50 0.00 0.00 46.19 42.32 2rfl s LEU 31 CO 0.55 -2.59 0.35 0.20 -1.32 0.00 0.00 176.35 173.55 2rfl s ASN 32 N -3.24 5.48 0.04 3.68 0.02 -1.13 -4.30 114.94 115.48 2rfl s ASN 32 Ca 0.63 -0.42 -0.10 0.00 -1.02 0.00 0.00 52.86 51.95 2rfl s ASN 32 Cb -0.19 -1.01 -0.03 0.00 0.02 0.00 0.00 41.25 40.04 2rfl s ASN 32 CO 0.57 -0.40 1.17 -0.08 0.02 0.00 0.00 177.10 178.37 2rfl h GLU 33 N 1.12 -0.11 -0.71 -0.60 4.81 -1.97 4.17 114.58 121.29 2rfl h GLU 33 Ca -0.45 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 58.94 2rfl h GLU 33 Cb 1.26 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 30.53 2rfl h GLU 33 CO 0.56 -0.07 -0.06 0.00 -0.73 0.00 0.00 179.01 178.71 2rfl h ALA 34 N -0.90 0.64 -0.42 2.92 0.00 -1.97 0.75 119.26 120.28 2rfl h ALA 34 Ca 0.02 0.24 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2rfl h ALA 34 Cb 0.18 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2rfl h ALA 34 CO -0.19 -0.42 -0.14 0.78 0.00 0.00 0.00 179.25 179.29 2rfl h GLY 35 N 0.07 0.84 0.69 0.00 0.00 -1.45 0.15 103.07 103.36 2rfl h GLY 35 Ca 0.37 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2rfl h GLY 35 CO -0.66 0.60 -0.00 0.74 0.00 0.00 0.00 176.54 177.22 2rfl h PHE 36 N 0.70 0.08 0.02 5.60 0.04 0.90 -1.89 116.94 122.38 2rfl h PHE 36 Ca 0.11 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 2rfl h PHE 36 Cb 0.62 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.75 2rfl h PHE 36 CO 0.03 0.38 -0.01 0.00 -0.60 0.00 0.00 178.31 178.11 2rfl h ALA 37 N 0.68 -0.03 -0.84 2.45 0.00 -0.75 -3.03 119.26 117.75 2rfl h ALA 37 Ca 0.01 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.99 2rfl h ALA 37 Cb 0.35 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2rfl h ALA 37 CO 0.00 -0.46 0.55 0.93 0.00 0.00 0.00 179.25 180.27 2rfl h GLU 38 N -0.15 0.63 0.00 0.00 5.08 -0.98 -2.35 114.58 116.81 2rfl h GLU 38 Ca -0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2rfl h GLU 38 Cb 0.14 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2rfl h GLU 38 CO 0.00 0.42 -0.23 0.00 -1.00 0.00 0.00 179.01 178.20 2rfl h ALA 39 N 1.61 0.89 -0.02 3.43 0.00 -1.22 -3.00 119.26 120.95 2rfl h ALA 39 Ca 0.41 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2rfl h ALA 39 Cb 0.67 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.43 2rfl h ALA 39 CO -0.17 0.29 -0.29 1.49 0.00 0.00 0.00 179.25 180.57 2rfl h GLU 40 N 0.00 0.23 -0.98 0.00 4.81 -1.34 -0.61 114.58 116.68 2rfl h GLU 40 Ca -0.00 -0.22 0.07 0.00 -0.13 0.00 0.00 59.36 59.08 2rfl h GLU 40 Cb 1.01 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 2rfl h GLU 40 CO 0.03 0.92 0.63 0.82 -0.73 0.00 0.00 179.01 180.68 2rfl h ILE 41 N -0.38 1.05 -0.06 2.32 5.03 -1.51 0.17 117.51 124.13 2rfl h ILE 41 Ca -0.03 -0.38 -0.03 0.00 -0.12 0.00 0.00 64.86 64.30 2rfl h ILE 41 Cb 1.01 -0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 34.64 2rfl h ILE 41 CO 0.06 0.20 -0.08 0.40 -0.68 0.00 0.00 178.15 178.05 2rfl h ILE 42 N 1.11 1.39 0.21 -0.67 1.08 -1.58 -1.03 117.51 118.02 2rfl h ILE 42 Ca 0.43 -1.28 0.01 0.00 -0.39 0.00 0.00 64.86 63.63 2rfl h ILE 42 Cb 0.22 2.10 -0.04 0.00 -3.07 0.00 0.00 36.82 36.03 2rfl h ILE 42 CO -0.19 0.35 -0.40 0.00 -0.69 0.00 0.00 178.15 177.22 2rfl h ALA 43 N 0.53 -0.76 -0.79 1.87 0.00 -0.76 -0.59 119.26 118.77 2rfl h ALA 43 Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2rfl h ALA 43 Cb 0.61 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2rfl h ALA 43 CO 0.02 -0.99 0.37 -0.44 0.00 0.00 0.00 179.25 178.21 2rfl h ASP 44 N -0.69 1.04 -0.96 0.00 3.32 -1.07 -1.64 116.42 116.41 2rfl h ASP 44 Ca 0.01 -0.13 0.10 0.00 0.02 0.00 0.00 57.03 57.03 2rfl h ASP 44 Cb 0.68 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 2rfl h ASP 44 CO -0.18 0.88 0.62 0.25 -1.72 0.00 0.00 179.24 179.09 2rfl h LEU 45 N 1.13 0.91 -0.80 1.55 5.85 -1.04 -0.44 115.31 122.47 2rfl h LEU 45 Ca 0.27 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.89 2rfl h LEU 45 Cb 0.13 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2rfl h LEU 45 CO -0.03 0.53 -0.58 0.00 -0.34 0.00 0.00 178.44 178.01 2rfl h ALA 46 N 1.53 1.00 0.00 1.25 0.00 -0.27 -2.76 119.26 120.01 2rfl h ALA 46 Ca 0.45 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 2rfl h ALA 46 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2rfl h ALA 46 CO -0.21 0.72 -0.86 0.00 0.00 0.00 0.00 179.25 178.90 2rfl h ALA 47 N 1.37 0.57 -0.68 0.00 0.00 -0.44 0.06 119.26 120.14 2rfl h ALA 47 Ca -0.00 -0.74 0.11 0.00 0.00 0.00 0.00 54.91 54.27 2rfl h ALA 47 Cb 1.04 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2rfl h ALA 47 CO 0.08 0.98 0.28 -0.44 0.00 0.00 0.00 179.25 180.14 2rfl h ASP 48 N 0.05 0.29 0.22 0.00 3.32 -1.00 -2.53 116.42 116.77 2rfl h ASP 48 Ca -0.03 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2rfl h ASP 48 Cb 1.49 0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.09 2rfl h ASP 48 CO 0.12 0.16 -0.12 0.54 -1.72 0.00 0.00 179.24 178.21 2rfl n ARG 49 N -4.97 0.95 -3.38 3.56 1.74 -1.01 -4.92 116.66 108.63 2rfl n ARG 49 Ca 0.11 -0.44 -0.19 0.00 -0.77 0.00 0.00 57.85 56.56 2rfl n ARG 49 Cb 0.31 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.33 2rfl n ARG 49 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2rfl n ARG 50 N -0.64 -6.41 -1.43 5.56 5.12 -0.46 -4.89 116.66 113.51 2rfl n ARG 50 Ca 0.15 0.67 -0.27 0.00 -1.93 0.00 0.00 57.85 56.47 2rfl n ARG 50 Cb 0.30 -5.22 -0.08 0.00 -1.16 0.00 0.00 32.46 26.31 2rfl n ARG 50 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2rfl n TYR 51 N -4.52 1.44 -2.63 -1.55 4.01 -0.12 -4.92 117.16 108.87 2rfl n TYR 51 Ca 0.01 -2.13 -0.43 0.00 -0.16 0.00 0.00 57.90 55.19 2rfl n TYR 51 Cb 0.55 -1.67 -0.02 0.00 -0.31 0.00 0.00 39.34 37.88 2rfl n TYR 51 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2rfl s ARG 52 N -0.35 4.28 0.39 -0.72 3.52 -1.26 -4.89 118.95 119.92 2rfl s ARG 52 Ca 0.62 1.41 -0.07 0.00 -0.13 0.00 0.00 55.73 57.55 2rfl s ARG 52 Cb 0.30 -3.64 -0.05 0.00 -1.56 0.00 0.00 34.95 30.00 2rfl s ARG 52 CO -0.11 -0.60 0.70 -1.25 -0.81 0.00 0.00 175.30 173.23 2rfl s PRO 53 N 3.07 3.66 0.19 5.12 0.04 -1.26 -4.96 135.00 140.86 2rfl s PRO 53 Ca 0.46 0.22 0.12 0.00 0.04 0.00 0.00 61.00 61.84 2rfl s PRO 53 Cb -0.16 -2.47 -0.07 0.00 0.04 0.00 0.00 34.50 31.84 2rfl s PRO 53 CO 0.09 -0.00 1.31 -0.44 0.04 0.00 0.00 177.00 177.99 2rfl h ASP 54 N 1.06 0.00 -3.29 6.66 3.32 -1.85 -3.45 116.42 118.87 2rfl h ASP 54 Ca -0.47 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.38 2rfl h ASP 54 Cb 1.19 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.45 2rfl h ASP 54 CO 0.64 0.71 -0.48 -0.22 -1.72 0.00 0.00 179.24 178.17 2rfl s LEU 55 N -6.49 0.30 -0.23 1.55 2.96 -1.12 -3.37 118.68 112.28 2rfl s LEU 55 Ca 0.02 0.56 -0.07 0.00 -0.22 0.00 0.00 54.13 54.42 2rfl s LEU 55 Cb 0.09 0.77 -0.03 0.00 0.50 0.00 0.00 46.19 47.52 2rfl s LEU 55 CO 0.78 -0.18 0.05 -0.63 -1.32 0.00 0.00 176.35 175.06 2rfl s ILE 56 N 1.40 4.28 -0.21 6.68 1.01 0.18 -4.29 121.20 130.24 2rfl s ILE 56 Ca -0.08 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 2rfl s ILE 56 Cb -0.10 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 2rfl s ILE 56 CO -0.09 0.37 0.20 -0.76 0.00 0.00 0.00 174.94 174.67 2rfl s LEU 57 N 1.36 4.16 0.01 2.97 1.43 -1.26 -1.24 118.68 126.11 2rfl s LEU 57 Ca 0.05 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 2rfl s LEU 57 Cb -0.15 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 2rfl s LEU 57 CO 0.03 0.08 -0.08 -0.55 0.23 0.00 0.00 176.35 176.06 2rfl s SER 58 N 0.79 0.92 0.51 2.29 0.15 -0.78 0.50 113.70 118.08 2rfl s SER 58 Ca 0.11 -0.25 -0.23 0.00 0.70 0.00 0.00 55.95 56.28 2rfl s SER 58 Cb -0.13 -0.07 -0.06 0.00 -1.71 0.00 0.00 66.02 64.05 2rfl s SER 58 CO 0.03 0.02 1.37 -0.55 1.20 0.00 0.00 173.24 175.31 2rfl s SER 59 N -0.55 5.51 0.48 5.45 0.15 -0.15 -1.23 113.70 123.36 2rfl s SER 59 Ca 0.00 2.79 0.24 0.00 0.70 0.00 0.00 55.95 59.68 2rfl s SER 59 Cb -0.05 -2.64 1.19 0.00 -1.71 0.00 0.00 66.02 62.82 2rfl s SER 59 CO 0.00 -1.41 1.97 0.71 1.20 0.00 0.00 173.24 175.71 2rfl h THR 60 N 1.74 0.66 -3.23 6.45 1.35 -1.84 -3.36 112.91 114.68 2rfl h THR 60 Ca -0.51 -0.81 -0.58 0.00 -0.55 0.00 0.00 66.41 63.96 2rfl h THR 60 Cb 1.29 1.52 0.15 0.00 -1.73 0.00 0.00 68.15 69.37 2rfl h THR 60 CO 0.59 0.18 0.10 0.00 -0.25 0.00 0.00 175.52 176.14 2rfl n ALA 61 N -2.29 0.06 -0.36 6.62 0.00 -1.26 -4.59 120.51 118.69 2rfl n ALA 61 Ca -0.01 0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.57 2rfl n ALA 61 Cb 0.32 -2.07 0.17 0.00 0.00 0.00 0.00 19.45 17.87 2rfl n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rfl h ALA 62 N 1.07 1.38 -0.79 0.00 0.00 -1.72 -0.84 119.26 118.36 2rfl h ALA 62 Ca -0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2rfl h ALA 62 Cb 1.35 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2rfl h ALA 62 CO 0.54 0.50 0.39 0.07 0.00 0.00 0.00 179.25 180.74 2rfl h ARG 63 N 1.22 1.13 -0.66 0.00 0.11 -1.74 0.34 114.38 114.77 2rfl h ARG 63 Ca 0.41 -0.16 -0.08 0.00 0.10 0.00 0.00 59.98 60.25 2rfl h ARG 63 Cb 0.08 -0.21 -0.03 0.00 1.11 0.00 0.00 29.97 30.93 2rfl h ARG 63 CO -0.14 0.87 0.09 0.00 0.10 0.00 0.00 179.97 180.89 2rfl h ARG 65 N 1.02 0.96 -0.00 0.00 3.08 -0.79 0.11 114.38 118.76 2rfl h ARG 65 Ca 0.20 -0.26 -0.16 0.00 0.07 0.00 0.00 59.98 59.82 2rfl h ARG 65 Cb 0.46 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2rfl h ARG 65 CO 0.02 0.92 -0.77 1.96 -1.07 0.00 0.00 179.97 181.02 2rfl h GLN 66 N 0.85 0.03 -0.16 0.04 4.20 -0.94 0.23 115.11 119.36 2rfl h GLN 66 Ca 0.17 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.73 2rfl h GLN 66 Cb 0.43 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2rfl h GLN 66 CO 0.01 0.79 -0.38 1.15 -0.67 0.00 0.00 178.83 179.73 2rfl h THR 67 N 0.02 1.35 -0.24 -0.54 2.02 -1.30 -2.43 112.91 111.78 2rfl h THR 67 Ca -0.01 -1.64 0.04 0.00 0.77 0.00 0.00 66.41 65.56 2rfl h THR 67 Cb 1.37 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 69.72 2rfl h THR 67 CO 0.10 0.50 0.02 0.74 0.37 0.00 0.00 175.52 177.26 2rfl h THR 68 N 0.19 0.86 -0.77 3.16 2.02 -0.71 -3.01 112.91 114.64 2rfl h THR 68 Ca -0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2rfl h THR 68 Cb 0.99 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2rfl h THR 68 CO 0.08 0.02 0.40 1.56 0.37 0.00 0.00 175.52 177.96 2rfl h GLN 69 N 0.11 1.09 -1.13 6.66 4.20 -0.56 -1.09 115.11 124.39 2rfl h GLN 69 Ca 0.11 -0.14 0.33 0.00 0.06 0.00 0.00 58.65 59.02 2rfl h GLN 69 Cb 0.13 -0.21 -0.12 0.00 0.30 0.00 0.00 27.48 27.59 2rfl h GLN 69 CO -0.17 0.83 0.71 0.00 -0.67 0.00 0.00 178.83 179.52 2rfl h ALA 70 N 1.21 2.34 0.00 3.87 0.00 -1.45 0.32 119.26 125.55 2rfl h ALA 70 Ca 0.27 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 2rfl h ALA 70 Cb 0.07 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2rfl h ALA 70 CO -0.04 -0.86 -0.17 -1.49 0.00 0.00 0.00 179.25 176.69 2rfl h TRP 71 N 0.28 0.00 0.00 0.00 4.06 -1.08 -3.07 115.95 116.15 2rfl h TRP 71 Ca 0.70 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.65 2rfl h TRP 71 Cb 1.89 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.05 2rfl h TRP 71 CO -0.00 0.17 0.00 1.96 -3.56 0.00 0.00 178.44 177.01 2rfl h GLN 72 N 0.00 0.00 0.10 0.49 4.20 0.25 -3.21 115.11 116.95 2rfl h GLN 72 Ca -0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 2rfl h GLN 72 Cb 0.99 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 2rfl h GLN 72 CO 0.02 0.00 -1.93 0.54 -0.67 0.00 0.00 178.83 176.79 2rfl n ARG 73 N -2.88 0.74 0.33 1.46 1.74 -0.97 -4.05 116.66 113.03 2rfl n ARG 73 Ca 0.03 0.27 0.21 0.00 -0.77 0.00 0.00 57.85 57.59 2rfl n ARG 73 Cb 0.39 -1.73 1.14 0.00 -1.02 0.00 0.00 32.46 31.24 2rfl n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rfl h ALA 74 N 0.26 1.12 -3.00 7.54 0.00 -1.54 -3.52 119.26 120.12 2rfl h ALA 74 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2rfl h ALA 74 Cb 2.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2rfl h ALA 74 CO 0.09 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.53 2rfl n PHE 75 N -3.26 0.00 0.00 0.00 3.01 -1.23 -4.88 117.46 111.10 2rfl n PHE 75 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 2rfl n PHE 75 Cb 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 2rfl n PHE 75 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 2rfl n ILE 79 N 0.00 0.00 -2.24 4.37 -6.64 -1.26 -5.13 119.36 108.46 2rfl n ILE 79 Ca 0.00 0.00 -0.43 0.00 -1.77 0.00 0.00 62.75 60.55 2rfl n ILE 79 Cb 0.00 0.00 -0.02 0.00 -1.44 0.00 0.00 39.64 38.18 2rfl n ILE 79 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 2rfl s ASP 80 N 0.00 6.78 0.01 7.28 1.01 -1.22 -4.95 116.67 125.59 2rfl s ASP 80 Ca 0.00 1.87 0.07 0.00 0.71 0.00 0.00 52.55 55.20 2rfl s ASP 80 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 2rfl s ASP 80 CO 0.00 -0.88 -0.21 -0.63 0.21 0.00 0.00 175.17 173.66 2rfl s ILE 81 N 3.89 1.68 -0.12 0.77 1.09 -1.26 0.49 121.20 127.74 2rfl s ILE 81 Ca 0.63 -1.05 -0.06 0.00 -1.10 0.00 0.00 60.65 59.06 2rfl s ILE 81 Cb -0.26 -1.43 0.05 0.00 -1.06 0.00 0.00 42.46 39.76 2rfl s ILE 81 CO 0.22 0.34 0.28 -0.69 -0.10 0.00 0.00 174.94 174.99 2rfl s VAL 82 N -0.64 -0.03 0.02 2.92 1.01 -0.37 -4.94 120.40 118.35 2rfl s VAL 82 Ca 0.08 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 2rfl s VAL 82 Cb -0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2rfl s VAL 82 CO 0.01 0.05 0.16 -0.31 0.00 0.00 0.00 175.10 175.01 2rfl s TYR 83 N 1.24 3.45 -0.22 5.22 1.51 -1.26 -1.87 117.35 125.42 2rfl s TYR 83 Ca -0.09 0.27 -0.03 0.00 -1.01 0.00 0.00 57.07 56.21 2rfl s TYR 83 Cb -0.10 -1.77 0.10 0.00 -0.11 0.00 0.00 41.96 40.09 2rfl s TYR 83 CO -0.09 0.60 0.25 0.42 -1.11 0.00 0.00 175.55 175.62 2rfl s ILE 84 N -1.36 -0.36 0.13 2.71 1.01 -0.36 -4.92 121.20 118.05 2rfl s ILE 84 Ca 0.29 -0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.58 2rfl s ILE 84 Cb -0.13 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 2rfl s ILE 84 CO 0.21 -0.24 1.73 0.44 0.00 0.00 0.00 174.94 177.08 2rfl h ASP 85 N 8.29 0.00 0.00 3.58 3.32 -1.94 -3.25 116.42 126.42 2rfl h ASP 85 Ca -0.17 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2rfl h ASP 85 Cb 1.14 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2rfl h ASP 85 CO 0.29 0.03 0.05 -0.62 -1.72 0.00 0.00 179.24 177.27 2rfl n GLU 86 N -5.09 0.00 -0.20 3.56 -0.58 -1.26 -4.72 120.64 112.35 2rfl n GLU 86 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2rfl n GLU 86 Cb 0.11 -0.65 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 2rfl n GLU 86 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2rfl n TYR 88 N 1.52 0.00 -3.69 -0.32 9.36 -1.26 -4.01 117.16 118.77 2rfl n TYR 88 Ca 0.00 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.98 2rfl n TYR 88 Cb 0.00 -0.07 0.01 0.00 -0.63 0.00 0.00 39.34 38.65 2rfl n TYR 88 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2rfl n ASN 89 N 0.33 -5.33 -4.78 2.98 4.05 -1.26 -4.83 115.26 106.42 2rfl n ASN 89 Ca 0.00 -0.86 -0.37 0.00 0.45 0.00 0.00 54.58 53.80 2rfl n ASN 89 Cb 0.00 -2.49 -0.02 0.00 1.23 0.00 0.00 39.78 38.50 2rfl n ASN 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2rfl s ALA 90 N -3.11 2.96 0.07 5.20 0.00 -1.26 -4.96 121.76 120.67 2rfl s ALA 90 Ca 0.12 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 52.78 2rfl s ALA 90 Cb -0.05 -3.35 -0.23 0.00 0.00 0.00 0.00 23.12 19.48 2rfl s ALA 90 CO 0.88 -0.55 1.19 0.00 0.00 0.00 0.00 175.76 177.27 2rfl h ARG 91 N 2.03 0.70 -7.25 0.00 3.08 -1.88 -3.46 114.38 107.60 2rfl h ARG 91 Ca -0.49 -0.76 -0.51 0.00 0.07 0.00 0.00 59.98 58.29 2rfl h ARG 91 Cb 1.24 0.22 0.10 0.00 0.08 0.00 0.00 29.97 31.61 2rfl h ARG 91 CO 0.60 1.33 0.36 -1.12 -1.07 0.00 0.00 179.97 180.07 2rfl s SER 92 N -7.29 5.15 0.19 7.04 0.01 -1.26 -4.98 113.70 112.56 2rfl s SER 92 Ca -0.10 1.86 0.08 0.00 1.31 0.00 0.00 55.95 59.10 2rfl s SER 92 Cb 0.07 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.83 2rfl s SER 92 CO 0.92 -1.60 1.44 1.05 0.41 0.00 0.00 173.24 175.46 2rfl h GLU 93 N -0.29 0.02 -5.09 12.44 4.11 -1.97 -3.47 114.58 120.33 2rfl h GLU 93 Ca -0.45 -0.02 -0.51 0.00 0.07 0.00 0.00 59.36 58.45 2rfl h GLU 93 Cb 1.23 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.35 2rfl h GLU 93 CO 0.55 0.82 -0.56 0.95 0.07 0.00 0.00 179.01 180.84 2rfl s THR 94 N -3.17 0.81 -2.71 -1.06 -4.23 -1.26 -4.30 115.64 99.72 2rfl s THR 94 Ca -0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.73 2rfl s THR 94 Cb 0.11 -2.53 0.24 0.00 1.34 0.00 0.00 72.50 71.66 2rfl s THR 94 CO 0.79 0.00 1.26 -1.22 -0.54 0.00 0.00 174.62 174.91 2rfl n TYR 95 N -0.80 0.12 -0.08 3.99 4.01 -1.26 -4.70 117.16 118.44 2rfl n TYR 95 Ca -0.04 -0.07 0.26 0.00 -0.16 0.00 0.00 57.90 57.89 2rfl n TYR 95 Cb 0.66 -0.00 0.70 0.00 -0.31 0.00 0.00 39.34 40.39 2rfl n TYR 95 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2rfl h LEU 96 N 4.40 0.00 -0.33 7.72 3.38 -1.96 0.33 115.31 128.85 2rfl h LEU 96 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2rfl h LEU 96 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2rfl h LEU 96 CO 0.00 0.00 -0.45 0.28 0.09 0.00 0.00 178.44 178.36 2rfl h SER 97 N 0.00 0.00 -0.54 -0.43 0.02 -1.99 -2.68 113.55 107.92 2rfl h SER 97 Ca 0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.28 2rfl h SER 97 Cb 1.68 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.20 2rfl h SER 97 CO -0.00 0.45 0.23 -0.07 -1.14 0.00 0.00 176.83 176.30 2rfl h LEU 98 N 0.00 0.74 0.59 5.07 3.38 -1.29 -2.77 115.31 121.02 2rfl h LEU 98 Ca -0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2rfl h LEU 98 Cb 1.22 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.78 2rfl h LEU 98 CO 0.06 0.69 -0.28 0.40 0.09 0.00 0.00 178.44 179.40 2rfl h ILE 99 N 0.74 0.31 0.00 1.22 2.04 -1.57 -3.31 117.51 116.94 2rfl h ILE 99 Ca 0.18 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2rfl h ILE 99 Cb 0.17 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2rfl h ILE 99 CO -0.02 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.17 2rfl n ALA 100 N -2.57 1.53 0.17 1.87 0.00 -1.01 -2.20 120.51 118.30 2rfl n ALA 100 Ca -0.12 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.41 2rfl n ALA 100 Cb 0.35 -1.31 0.28 0.00 0.00 0.00 0.00 19.45 18.77 2rfl n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rfl h ALA 101 N 2.28 0.98 -0.59 0.00 0.00 -1.57 -3.38 119.26 116.97 2rfl h ALA 101 Ca 0.00 -0.40 -0.74 0.00 0.00 0.00 0.00 54.91 53.77 2rfl h ALA 101 Cb 0.26 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.87 2rfl h ALA 101 CO 0.00 0.56 2.53 1.04 0.00 0.00 0.00 179.25 183.38 2rfl n GLN 102 N -3.59 3.93 0.00 0.00 1.13 -0.94 -4.74 117.38 113.17 2rfl n GLN 102 Ca -0.00 -3.23 0.10 0.00 -1.94 0.00 0.00 57.00 51.93 2rfl n GLN 102 Cb 0.55 -2.83 0.47 0.00 0.11 0.00 0.00 30.24 28.54 2rfl n GLN 102 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2rfl n THR 103 N 2.92 0.49 -1.11 5.09 -2.24 -1.26 -2.33 114.28 115.83 2rfl n THR 103 Ca 0.55 0.12 0.05 0.00 -2.27 0.00 0.00 64.05 62.50 2rfl n THR 103 Cb 0.30 -0.75 0.07 0.00 -2.10 0.00 0.00 70.33 67.85 2rfl n THR 103 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2rfl n GLU 104 N -1.47 1.15 -4.27 -0.78 1.02 -1.26 -4.29 120.64 110.74 2rfl n GLU 104 Ca 0.06 -1.82 -0.34 0.00 -0.02 0.00 0.00 57.16 55.04 2rfl n GLU 104 Cb 0.24 -1.08 -0.11 0.00 -0.02 0.00 0.00 31.44 30.48 2rfl n GLU 104 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2rfl s VAL 105 N -1.59 4.26 -0.02 2.62 1.01 -0.99 -5.08 120.40 120.62 2rfl s VAL 105 Ca 0.16 -0.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 2rfl s VAL 105 Cb 0.14 -2.87 -0.17 0.00 0.00 0.00 0.00 36.38 33.48 2rfl s VAL 105 CO 0.01 0.51 1.09 -0.61 0.00 0.00 0.00 175.10 176.10 2rfl h GLN 106 N 6.39 -0.27 -6.20 2.72 4.15 -1.95 -3.24 115.11 116.70 2rfl h GLN 106 Ca -0.37 0.02 -0.60 0.00 0.77 0.00 0.00 58.65 58.47 2rfl h GLN 106 Cb 1.18 0.06 -0.26 0.00 0.21 0.00 0.00 27.48 28.68 2rfl h GLN 106 CO 0.64 0.12 -0.85 -1.54 -1.93 0.00 0.00 178.83 175.27 2rfl s SER 107 N -5.32 2.60 0.34 -0.69 1.04 -1.26 -1.40 113.70 109.00 2rfl s SER 107 Ca -0.14 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 55.79 2rfl s SER 107 Cb 0.01 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.90 2rfl s SER 107 CO 0.53 0.17 0.36 0.55 0.98 0.00 0.00 173.24 175.84 2rfl n VAL 108 N 1.80 0.00 -3.64 5.02 3.14 -0.76 -2.43 118.33 121.46 2rfl n VAL 108 Ca -0.17 -2.18 -0.05 0.00 -2.96 0.00 0.00 64.34 58.97 2rfl n VAL 108 Cb 0.53 1.17 -0.07 0.00 -1.06 0.00 0.00 33.84 34.42 2rfl n VAL 108 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2rfl s LEU 110 N 0.00 -0.83 -0.51 6.55 1.43 -0.86 -0.56 118.68 123.90 2rfl s LEU 110 Ca 0.36 1.32 -0.02 0.00 -1.03 0.00 0.00 54.13 54.76 2rfl s LEU 110 Cb 0.01 2.20 0.13 0.00 0.03 0.00 0.00 46.19 48.56 2rfl s LEU 110 CO 0.25 -0.21 0.31 -0.69 0.23 0.00 0.00 176.35 176.24 2rfl s VAL 111 N 1.65 3.38 0.00 -1.59 1.01 0.18 -1.54 120.40 123.48 2rfl s VAL 111 Ca -0.09 -2.56 0.00 0.00 0.00 0.00 0.00 61.98 59.33 2rfl s VAL 111 Cb -0.05 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2rfl s VAL 111 CO -0.19 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 174.75 2rfl n GLY 112 N 3.99 5.46 3.40 4.51 0.00 -1.06 -0.98 105.19 120.50 2rfl n GLY 112 Ca 0.03 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 2rfl n GLY 112 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rfl s HIS 113 N 0.88 2.32 0.64 1.61 3.76 -1.26 -2.31 115.29 120.92 2rfl s HIS 113 Ca 0.00 -0.37 -0.15 0.00 -0.15 0.00 0.00 55.06 54.39 2rfl s HIS 113 Cb 0.00 -1.23 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 2rfl s HIS 113 CO 0.00 0.37 1.08 -0.80 -0.85 0.00 0.00 174.74 174.54 2rfl s ASN 114 N -2.18 5.39 0.15 1.40 0.01 -1.26 -2.72 114.94 115.73 2rfl s ASN 114 Ca 0.15 1.87 0.25 0.00 -0.71 0.00 0.00 52.86 54.42 2rfl s ASN 114 Cb -0.10 -2.53 0.93 0.00 0.41 0.00 0.00 41.25 39.95 2rfl s ASN 114 CO 0.07 -1.44 1.77 -0.81 -1.51 0.00 0.00 177.10 175.18 2rfl n PRO 115 N -2.40 0.17 0.00 -0.60 -0.04 -1.26 -5.03 135.00 125.83 2rfl n PRO 115 Ca 0.09 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2rfl n PRO 115 Cb 0.53 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2rfl n PRO 115 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2rfl n THR 116 N -2.02 0.00 0.00 0.52 -1.04 -1.10 -1.02 114.28 109.62 2rfl n THR 116 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2rfl n THR 116 Cb 0.34 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 2rfl n THR 116 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2rfl n GLU 118 N 0.40 0.00 -0.15 -2.82 2.13 -1.26 -1.20 120.64 117.74 2rfl n GLU 118 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2rfl n GLU 118 Cb 0.00 0.00 0.27 0.00 0.27 0.00 0.00 31.44 31.98 2rfl n GLU 118 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rfl h ALA 119 N 0.00 1.45 0.14 4.31 0.00 -1.34 -1.85 119.26 121.97 2rfl h ALA 119 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2rfl h ALA 119 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2rfl h ALA 119 CO 0.00 0.46 -0.35 1.15 0.00 0.00 0.00 179.25 180.51 2rfl h THR 120 N 0.87 0.26 -0.30 0.00 2.02 -1.39 -0.62 112.91 113.76 2rfl h THR 120 Ca 0.23 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.42 2rfl h THR 120 Cb -0.01 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 2rfl h THR 120 CO -0.04 0.00 0.16 0.25 0.37 0.00 0.00 175.52 176.26 2rfl h LEU 121 N -0.59 0.25 -0.76 2.58 5.85 -1.84 -2.53 115.31 118.26 2rfl h LEU 121 Ca 0.03 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.88 2rfl h LEU 121 Cb 0.61 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 2rfl h LEU 121 CO -0.20 0.18 0.34 -0.08 -0.34 0.00 0.00 178.44 178.35 2rfl h GLU 122 N 0.33 0.51 -1.30 1.25 4.81 -1.01 -0.83 114.58 118.34 2rfl h GLU 122 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2rfl h GLU 122 Cb 0.02 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2rfl h GLU 122 CO -0.07 0.33 0.00 0.00 -0.73 0.00 0.00 179.01 178.54 2rfl n ALA 123 N -2.47 2.10 0.08 2.92 0.00 -0.27 0.03 120.51 122.91 2rfl n ALA 123 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2rfl n ALA 123 Cb 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2rfl n ALA 123 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2rfl n ILE 125 N 0.64 0.00 0.00 0.00 -5.35 -0.31 -5.08 119.36 109.26 2rfl n ILE 125 Ca 0.00 0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.85 2rfl n ILE 125 Cb 0.29 -0.84 0.00 0.00 -1.74 0.00 0.00 39.64 37.35 2rfl n ILE 125 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rfl n GLY 126 N -0.74 0.67 0.33 3.28 0.00 0.11 -4.50 105.19 104.33 2rfl n GLY 126 Ca 0.00 -1.56 0.15 0.00 0.00 0.00 0.00 46.02 44.62 2rfl n GLY 126 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2rfl h GLU 127 N 0.00 0.00 0.14 1.61 4.11 -1.93 -0.75 114.58 117.76 2rfl h GLU 127 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2rfl h GLU 127 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2rfl h GLU 127 CO 0.00 0.00 -0.07 -0.44 0.07 0.00 0.00 179.01 178.57 2rfl h ASP 128 N 0.00 -0.16 -0.20 3.06 3.32 -1.95 -0.66 116.42 119.83 2rfl h ASP 128 Ca 0.10 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 56.73 2rfl h ASP 128 Cb 0.47 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2rfl h ASP 128 CO -0.00 0.27 -0.21 0.25 -1.72 0.00 0.00 179.24 177.83 2rfl h LEU 129 N -0.63 0.65 -0.37 1.55 7.12 -1.75 -1.89 115.31 120.00 2rfl h LEU 129 Ca -0.02 -0.22 -0.01 0.00 0.13 0.00 0.00 57.88 57.76 2rfl h LEU 129 Cb 0.47 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.41 2rfl h LEU 129 CO 0.03 0.86 0.19 0.25 -0.13 0.00 0.00 178.44 179.63 2rfl h LEU 130 N 0.57 0.47 -0.98 2.25 6.46 -1.12 -1.21 115.31 121.74 2rfl h LEU 130 Ca 0.08 -0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 2rfl h LEU 130 Cb 0.68 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 2rfl h LEU 130 CO 0.05 0.45 0.22 0.45 -0.62 0.00 0.00 178.44 178.98 2rfl h HIS 131 N 0.46 0.97 -0.34 1.25 3.86 -0.99 0.58 115.15 120.93 2rfl h HIS 131 Ca 0.13 -0.07 -0.17 0.00 -1.16 0.00 0.00 60.37 59.10 2rfl h HIS 131 Cb 0.09 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 2rfl h HIS 131 CO -0.02 0.77 -0.45 0.00 0.86 0.00 0.00 177.93 179.09 2rfl h ALA 132 N 1.31 0.56 0.05 2.45 0.00 -1.19 -3.14 119.26 119.30 2rfl h ALA 132 Ca 0.21 -0.48 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 2rfl h ALA 132 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2rfl h ALA 132 CO -0.01 0.68 -1.26 0.00 0.00 0.00 0.00 179.25 178.65 2rfl h ALA 133 N 0.78 0.35 -2.88 0.00 0.00 -1.12 -3.42 119.26 112.97 2rfl h ALA 133 Ca 0.04 -1.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.32 2rfl h ALA 133 Cb 1.04 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.49 2rfl h ALA 133 CO 0.10 1.22 -0.76 -0.51 0.00 0.00 0.00 179.25 179.31 2rfl s LEU 134 N -6.76 2.60 0.51 0.00 1.43 0.20 -4.99 118.68 111.68 2rfl s LEU 134 Ca -0.03 -2.79 0.32 0.00 -1.03 0.00 0.00 54.13 50.60 2rfl s LEU 134 Cb 0.08 -0.96 1.24 0.00 0.03 0.00 0.00 46.19 46.58 2rfl s LEU 134 CO 0.84 -0.24 1.92 -0.65 0.23 0.00 0.00 176.35 178.46 2rfl h PRO 135 N 6.45 0.00 -0.04 1.29 0.11 -1.78 -2.88 132.00 135.15 2rfl h PRO 135 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2rfl h PRO 135 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2rfl h PRO 135 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 2rfl n SER 136 N -2.98 2.42 0.00 -2.05 3.41 -1.26 -5.11 113.62 108.05 2rfl n SER 136 Ca 0.01 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 2rfl n SER 136 Cb 0.32 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2rfl n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rfl n GLY 137 N -0.94 -1.41 3.36 5.00 0.00 -1.09 -4.88 105.19 105.24 2rfl n GLY 137 Ca 0.11 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 2rfl n GLY 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2rfl s PHE 138 N 0.00 3.26 0.54 1.61 2.19 -1.26 -4.76 117.98 119.56 2rfl s PHE 138 Ca 0.00 -1.04 -0.15 0.00 0.33 0.00 0.00 56.93 56.07 2rfl s PHE 138 Cb 0.00 -2.71 -0.07 0.00 -1.31 0.00 0.00 43.02 38.93 2rfl s PHE 138 CO 0.00 -0.72 1.00 -2.14 1.83 0.00 0.00 175.22 175.19 2rfl s PRO 139 N 1.56 3.85 0.06 10.12 0.02 -1.26 -4.97 135.00 144.38 2rfl s PRO 139 Ca 0.03 0.92 -0.33 0.00 0.02 0.00 0.00 61.00 61.63 2rfl s PRO 139 Cb -0.21 -2.12 -0.12 0.00 0.02 0.00 0.00 34.50 32.07 2rfl s PRO 139 CO 0.06 -0.35 1.75 0.25 -0.33 0.00 0.00 177.00 178.38 2rfl n THR 140 N -1.85 0.30 -0.95 0.99 -2.24 -1.26 -0.92 114.28 108.36 2rfl n THR 140 Ca 0.06 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2rfl n THR 140 Cb 0.54 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 2rfl n THR 140 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2rfl n SER 141 N 5.14 -3.05 -4.78 3.42 2.88 0.38 -4.73 113.62 112.89 2rfl n SER 141 Ca 0.19 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.39 2rfl n SER 141 Cb 0.31 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.32 2rfl n SER 141 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2rfl s GLY 142 N -2.00 2.52 -0.06 0.46 0.00 -0.10 -4.73 107.32 103.42 2rfl s GLY 142 Ca 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 44.72 45.44 2rfl s GLY 142 CO 0.00 1.08 0.02 -2.27 0.00 0.00 0.00 173.10 171.93 2rfl s LEU 143 N -3.94 0.46 -0.12 0.66 2.96 0.27 -1.92 118.68 117.05 2rfl s LEU 143 Ca 0.71 -0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 54.55 2rfl s LEU 143 Cb -0.22 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.13 2rfl s LEU 143 CO 0.28 -0.21 0.08 0.00 -1.32 0.00 0.00 176.35 175.18 2rfl s ALA 144 N 1.97 3.59 -0.20 5.97 0.00 -0.25 -0.92 121.76 131.91 2rfl s ALA 144 Ca 0.04 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 2rfl s ALA 144 Cb -0.12 -1.79 -0.00 0.00 0.00 0.00 0.00 23.12 21.21 2rfl s ALA 144 CO -0.04 0.54 -0.07 0.08 0.00 0.00 0.00 175.76 176.26 2rfl s VAL 145 N -0.75 3.15 -0.03 0.00 1.01 -0.53 -1.25 120.40 122.02 2rfl s VAL 145 Ca 0.13 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.57 2rfl s VAL 145 Cb -0.12 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 2rfl s VAL 145 CO 0.03 0.45 -0.13 -0.76 0.00 0.00 0.00 175.10 174.69 2rfl s LEU 146 N 1.32 1.91 0.30 3.92 1.43 -0.09 -1.59 118.68 125.88 2rfl s LEU 146 Ca 0.04 -0.26 0.10 0.00 -1.03 0.00 0.00 54.13 52.98 2rfl s LEU 146 Cb -0.14 -0.74 -0.05 0.00 0.03 0.00 0.00 46.19 45.29 2rfl s LEU 146 CO -0.04 0.13 -0.08 -1.81 0.23 0.00 0.00 176.35 174.79 2rfl s ASP 147 N -0.04 4.05 0.81 2.29 1.01 -0.44 -1.22 116.67 123.13 2rfl s ASP 147 Ca -0.00 -0.91 -0.12 0.00 0.71 0.00 0.00 52.55 52.23 2rfl s ASP 147 Cb -0.08 -0.53 0.08 0.00 1.01 0.00 0.00 42.92 43.39 2rfl s ASP 147 CO 0.01 -0.06 1.14 -1.10 0.21 0.00 0.00 175.17 175.37 2rfl s GLN 148 N -3.62 1.94 0.00 8.23 -0.21 -1.19 0.48 119.66 125.28 2rfl s GLN 148 Ca 0.32 0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.98 2rfl s GLN 148 Cb -0.04 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 32.04 2rfl s GLN 148 CO 0.18 -1.64 0.00 -0.25 -2.12 0.00 0.00 175.29 171.46 2rfl n ASP 149 N -3.38 0.00 -1.12 5.90 9.92 -0.79 -4.73 116.55 122.36 2rfl n ASP 149 Ca 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 2rfl n ASP 149 Cb 0.59 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 2rfl n ASP 149 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2rfl n LYS 156 N 1.88 0.00 -1.75 -1.24 4.81 -1.26 -4.40 118.16 116.20 2rfl n LYS 156 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 2rfl n LYS 156 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 2rfl n LYS 156 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2rfl n ASN 157 N 0.72 3.74 -3.67 3.14 4.05 -1.26 -5.03 115.26 116.95 2rfl n ASN 157 Ca 0.00 1.17 -0.13 0.00 0.45 0.00 0.00 54.58 56.07 2rfl n ASN 157 Cb 0.00 -1.59 -0.07 0.00 1.23 0.00 0.00 39.78 39.35 2rfl n ASN 157 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2rfl s ARG 158 N -0.99 0.88 0.30 1.20 1.70 -1.26 -5.15 118.95 115.63 2rfl s ARG 158 Ca 0.61 -0.26 -0.29 0.00 -0.47 0.00 0.00 55.73 55.31 2rfl s ARG 158 Cb -0.50 0.40 -0.10 0.00 -0.57 0.00 0.00 34.95 34.18 2rfl s ARG 158 CO 0.53 -0.29 1.16 -1.58 -1.08 0.00 0.00 175.30 174.04 2rfl s TRP 159 N -2.11 3.42 -0.07 5.89 0.52 -1.26 -1.89 118.94 123.44 2rfl s TRP 159 Ca -0.08 1.62 0.05 0.00 0.02 0.00 0.00 56.10 57.71 2rfl s TRP 159 Cb -0.02 -3.40 -0.01 0.00 -1.15 0.00 0.00 33.47 28.90 2rfl s TRP 159 CO 0.00 -0.94 -0.25 1.03 0.02 0.00 0.00 176.95 176.82 2rfl s ARG 160 N -1.56 2.75 0.17 4.98 1.81 0.18 -4.72 118.95 122.56 2rfl s ARG 160 Ca 0.46 -0.89 -0.30 0.00 -1.72 0.00 0.00 55.73 53.28 2rfl s ARG 160 Cb -0.34 -2.21 -0.08 0.00 -0.45 0.00 0.00 34.95 31.87 2rfl s ARG 160 CO 0.45 0.30 1.18 -1.17 -0.68 0.00 0.00 175.30 175.38 2rfl s LEU 161 N 0.04 4.45 0.00 2.53 2.96 -1.26 -1.33 118.68 126.07 2rfl s LEU 161 Ca -0.10 2.19 0.00 0.00 -0.22 0.00 0.00 54.13 56.00 2rfl s LEU 161 Cb -0.15 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.93 2rfl s LEU 161 CO 0.06 -0.36 0.00 2.30 -1.32 0.00 0.00 176.35 177.03 2rfl n ILE 162 N 2.66 0.00 -3.57 6.68 -5.35 -0.62 -4.92 119.36 114.23 2rfl n ILE 162 Ca 0.05 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.44 2rfl n ILE 162 Cb 0.45 0.30 -0.04 0.00 -1.74 0.00 0.00 39.64 38.61 2rfl n ILE 162 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2rfl s ASP 163 N -1.56 -0.30 -0.11 7.28 2.15 -1.22 -5.02 116.67 117.89 2rfl s ASP 163 Ca 0.00 0.22 -0.02 0.00 0.43 0.00 0.00 52.55 53.18 2rfl s ASP 163 Cb 0.00 0.27 0.04 0.00 -0.30 0.00 0.00 42.92 42.93 2rfl s ASP 163 CO 0.00 -0.35 0.02 0.12 -0.17 0.00 0.00 175.17 174.78 2rfl s PHE 164 N -1.73 0.74 -0.11 -5.34 2.19 -1.26 -1.45 117.98 111.02 2rfl s PHE 164 Ca 0.02 -0.37 -0.13 0.00 0.33 0.00 0.00 56.93 56.79 2rfl s PHE 164 Cb -0.01 -0.86 -0.05 0.00 -1.31 0.00 0.00 43.02 40.80 2rfl s PHE 164 CO -0.03 -0.42 0.29 -0.51 1.83 0.00 0.00 175.22 176.38 2rfl s LEU 165 N 1.95 4.33 -0.05 6.12 1.43 -0.10 -4.95 118.68 127.42 2rfl s LEU 165 Ca 0.03 0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 53.54 2rfl s LEU 165 Cb -0.14 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 43.77 2rfl s LEU 165 CO -0.06 0.22 0.45 0.00 0.23 0.00 0.00 176.35 177.19 2rfl s ALA 166 N -0.25 -1.14 -2.00 4.21 0.00 -1.26 -0.57 121.76 120.75 2rfl s ALA 166 Ca 0.18 0.76 0.26 0.00 0.00 0.00 0.00 51.96 53.16 2rfl s ALA 166 Cb -0.14 -0.05 1.56 0.00 0.00 0.00 0.00 23.12 24.49 2rfl s ALA 166 CO 0.06 -0.29 1.91 -2.30 0.00 0.00 0.00 175.76 175.14