#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b7t s LEU 3 N 0.00 3.58 0.56 3.14 1.43 -1.26 -5.12 118.68 121.02 1b7t s LEU 3 Ca 0.00 0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1b7t s LEU 3 Cb 0.00 -3.23 0.06 0.00 0.03 0.00 0.00 46.19 43.05 1b7t s LEU 3 CO 0.00 -0.75 0.78 -0.94 0.23 0.00 0.00 176.35 175.67 1b7t s SER 4 N -4.23 5.11 0.01 2.29 1.04 -1.26 -4.89 113.70 111.77 1b7t s SER 4 Ca 0.49 -0.38 -0.24 0.00 0.48 0.00 0.00 55.95 56.30 1b7t s SER 4 Cb -0.10 -0.35 -0.13 0.00 0.10 0.00 0.00 66.02 65.53 1b7t s SER 4 CO 0.39 -1.26 1.02 -0.61 0.98 0.00 0.00 173.24 173.76 1b7t h GLN 5 N 0.09 -0.84 -0.48 4.02 5.75 -1.99 0.21 115.11 121.88 1b7t h GLN 5 Ca -0.37 0.06 0.14 0.00 -0.15 0.00 0.00 58.65 58.32 1b7t h GLN 5 Cb 1.28 0.19 -0.02 0.00 1.07 0.00 0.00 27.48 30.01 1b7t h GLN 5 CO 0.45 -0.56 0.68 -0.44 -2.65 0.00 0.00 178.83 176.31 1b7t h ASP 6 N -1.20 0.00 0.11 -0.69 5.19 -1.98 0.36 116.42 118.22 1b7t h ASP 6 Ca -0.09 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1b7t h ASP 6 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1b7t h ASP 6 CO 0.15 0.00 -0.05 -0.33 -3.12 0.00 0.00 179.24 175.88 1b7t h GLU 7 N 0.00 -0.15 -0.60 3.56 5.08 -1.86 -2.93 114.58 117.68 1b7t h GLU 7 Ca 0.23 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.77 1b7t h GLU 7 Cb 1.58 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.84 1b7t h GLU 7 CO -0.00 -0.10 0.45 0.82 -1.00 0.00 0.00 179.01 179.18 1b7t h ILE 8 N -0.78 0.66 -0.50 3.13 2.04 0.11 0.68 117.51 122.86 1b7t h ILE 8 Ca -0.02 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 1b7t h ILE 8 Cb 0.12 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1b7t h ILE 8 CO 0.03 0.00 -0.03 0.44 0.00 0.00 0.00 178.15 178.58 1b7t h ASP 9 N 0.00 0.83 -0.52 1.72 5.19 -0.44 -1.35 116.42 121.85 1b7t h ASP 9 Ca 0.29 -0.22 -0.08 0.00 -0.62 0.00 0.00 57.03 56.39 1b7t h ASP 9 Cb 1.18 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.44 1b7t h ASP 9 CO -0.00 0.92 0.02 -0.78 -3.12 0.00 0.00 179.24 176.28 1b7t h ASP 10 N 0.79 0.92 -0.22 6.45 1.82 0.56 0.24 116.42 126.97 1b7t h ASP 10 Ca 0.14 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1b7t h ASP 10 Cb 0.52 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1b7t h ASP 10 CO 0.03 0.96 0.13 0.25 -1.61 0.00 0.00 179.24 179.00 1b7t h LEU 11 N 0.88 0.27 0.07 2.28 5.85 -0.95 -2.39 115.31 121.33 1b7t h LEU 11 Ca 0.17 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1b7t h LEU 11 Cb 0.48 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1b7t h LEU 11 CO 0.02 0.26 -0.25 0.11 -0.34 0.00 0.00 178.44 178.24 1b7t h LYS 12 N 0.26 -0.36 -0.33 1.25 1.57 -0.59 0.19 116.57 118.56 1b7t h LYS 12 Ca 0.08 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1b7t h LYS 12 Cb 0.04 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1b7t h LYS 12 CO -0.01 -0.24 -0.20 -0.25 -0.57 0.00 0.00 179.45 178.18 1b7t n ASP 13 N -3.89 -0.35 -0.27 0.86 9.92 0.80 -1.10 116.55 122.51 1b7t n ASP 13 Ca -0.04 1.05 -0.03 0.00 -0.53 0.00 0.00 54.79 55.24 1b7t n ASP 13 Cb 0.20 -0.31 0.08 0.00 -0.64 0.00 0.00 41.12 40.45 1b7t n ASP 13 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1b7t h VAL 14 N 0.00 1.14 -1.00 2.53 2.07 -1.25 -2.62 116.25 117.12 1b7t h VAL 14 Ca 0.05 -0.33 0.25 0.00 0.82 0.00 0.00 66.70 67.49 1b7t h VAL 14 Cb 0.14 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 29.87 1b7t h VAL 14 CO -0.31 0.18 0.59 0.15 0.02 0.00 0.00 177.57 178.19 1b7t h PHE 15 N 0.96 1.01 0.62 1.57 3.04 0.10 -2.10 116.94 122.13 1b7t h PHE 15 Ca 0.29 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.25 1b7t h PHE 15 Cb -0.03 -0.29 0.01 0.00 2.56 0.00 0.00 35.95 38.20 1b7t h PHE 15 CO -0.03 0.06 -0.30 0.93 -2.02 0.00 0.00 178.31 176.96 1b7t h GLU 16 N 0.58 -0.80 -1.35 1.11 4.39 -1.04 0.13 114.58 117.59 1b7t h GLU 16 Ca 0.64 0.05 0.48 0.00 0.34 0.00 0.00 59.36 60.87 1b7t h GLU 16 Cb 1.22 0.18 -0.14 0.00 -0.10 0.00 0.00 28.75 29.91 1b7t h GLU 16 CO -0.48 -0.53 0.86 -0.11 -1.16 0.00 0.00 179.01 177.59 1b7t n LEU 17 N -4.48 0.22 -0.03 1.33 7.94 -0.82 -0.81 117.00 120.35 1b7t n LEU 17 Ca -0.10 1.42 -0.00 0.00 -1.11 0.00 0.00 56.01 56.21 1b7t n LEU 17 Cb 0.33 -0.70 -0.00 0.00 0.53 0.00 0.00 43.42 43.58 1b7t n LEU 17 CO 0.25 -1.54 -0.01 -0.26 -1.11 0.00 0.00 177.39 174.71 1b7t h PHE 18 N 0.00 0.00 -0.21 1.96 -1.00 -1.29 -3.12 116.94 113.28 1b7t h PHE 18 Ca 0.88 0.00 0.06 0.00 2.81 0.00 0.00 57.97 61.72 1b7t h PHE 18 Cb 2.80 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 42.35 1b7t h PHE 18 CO -0.01 0.00 0.77 0.22 -1.61 0.00 0.00 178.31 177.68 1b7t h ASP 19 N -0.51 0.00 0.00 2.17 3.58 0.11 0.44 116.42 122.21 1b7t h ASP 19 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1b7t h ASP 19 Cb 0.02 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 1b7t h ASP 19 CO 0.00 0.00 -0.01 0.15 -2.88 0.00 0.00 179.24 176.50 1b7t h PHE 20 N 0.00 0.00 0.00 0.28 3.04 -1.08 -2.93 116.94 116.24 1b7t h PHE 20 Ca 0.10 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 1b7t h PHE 20 Cb 1.63 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.14 1b7t h PHE 20 CO 0.00 0.86 -0.01 -1.49 -2.02 0.00 0.00 178.31 175.65 1b7t h TRP 21 N -1.00 0.00 -0.87 0.41 4.06 -0.06 -0.19 115.95 118.30 1b7t h TRP 21 Ca -0.00 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 1b7t h TRP 21 Cb 0.86 0.00 -0.32 0.00 -1.00 0.00 0.00 29.16 28.69 1b7t h TRP 21 CO 0.24 0.01 0.22 -0.40 -3.56 0.00 0.00 178.44 174.95 1b7t n ASP 22 N -3.26 6.17 -1.11 -3.49 5.75 -1.05 -4.91 116.55 114.65 1b7t n ASP 22 Ca -0.03 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 50.98 1b7t n ASP 22 Cb 0.10 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 1b7t n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b7t n GLY 23 N -0.88 -2.25 3.68 6.12 0.00 -0.24 -4.94 105.19 106.68 1b7t n GLY 23 Ca 0.54 -0.52 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 1b7t n GLY 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1b7t n ARG 24 N 0.29 2.38 -0.13 1.61 0.00 -0.29 -4.63 116.66 115.90 1b7t n ARG 24 Ca 0.00 0.87 0.00 0.00 -0.00 0.00 0.00 57.85 58.72 1b7t n ARG 24 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 32.46 29.73 1b7t n ARG 24 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1b7t n ASP 25 N 6.06 0.00 -1.12 6.15 5.75 -1.25 -5.00 116.55 127.13 1b7t n ASP 25 Ca 0.20 -0.50 -0.10 0.00 -0.01 0.00 0.00 54.79 54.38 1b7t n ASP 25 Cb 0.32 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1b7t n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b7t n GLY 26 N 0.00 -0.03 3.25 6.12 0.00 -1.26 -5.03 105.19 108.24 1b7t n GLY 26 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1b7t n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b7t s ALA 27 N -2.49 -0.86 0.01 4.61 0.00 -1.26 -4.56 121.76 117.21 1b7t s ALA 27 Ca 0.00 0.75 0.08 0.00 0.00 0.00 0.00 51.96 52.79 1b7t s ALA 27 Cb -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1b7t s ALA 27 CO 0.00 -0.21 -0.23 0.08 0.00 0.00 0.00 175.76 175.40 1b7t s VAL 28 N -0.40 1.88 -0.05 0.00 1.01 0.97 -4.56 120.40 119.24 1b7t s VAL 28 Ca -0.05 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 1b7t s VAL 28 Cb -0.03 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 1b7t s VAL 28 CO 0.02 0.40 1.75 -0.62 0.00 0.00 0.00 175.10 176.65 1b7t s ASP 29 N -0.89 6.54 0.47 3.32 -1.08 -1.26 0.17 116.67 123.94 1b7t s ASP 29 Ca 0.09 2.27 0.15 0.00 -0.52 0.00 0.00 52.55 54.54 1b7t s ASP 29 Cb -0.09 -2.53 0.82 0.00 -1.46 0.00 0.00 42.92 39.66 1b7t s ASP 29 CO 0.01 -1.03 1.38 0.00 0.52 0.00 0.00 175.17 176.05 1b7t h ALA 30 N 10.11 1.37 0.00 3.66 0.00 -1.08 0.78 119.26 134.10 1b7t h ALA 30 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1b7t h ALA 30 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1b7t h ALA 30 CO 0.96 -0.37 0.00 0.34 0.00 0.00 0.00 179.25 180.18 1b7t n PHE 31 N -2.32 0.00 0.33 0.00 7.35 -1.26 -2.77 117.46 118.79 1b7t n PHE 31 Ca -0.01 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.73 1b7t n PHE 31 Cb 0.47 -0.23 -0.06 0.00 0.35 0.00 0.00 39.48 40.01 1b7t n PHE 31 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1b7t n LYS 32 N -1.23 2.96 -0.25 -4.13 4.76 0.27 -4.56 118.16 115.98 1b7t n LYS 32 Ca 0.15 -0.02 0.32 0.00 -2.87 0.00 0.00 58.31 55.88 1b7t n LYS 32 Cb 0.20 -1.02 0.61 0.00 -1.84 0.00 0.00 35.03 32.98 1b7t n LYS 32 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1b7t h LEU 33 N 0.00 0.00 0.00 -0.35 5.85 -1.59 -0.09 115.31 119.13 1b7t h LEU 33 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1b7t h LEU 33 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1b7t h LEU 33 CO 0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 1b7t n GLY 34 N -1.71 -1.38 0.64 3.75 0.00 -1.26 -3.20 105.19 102.03 1b7t n GLY 34 Ca 0.24 0.00 0.47 0.00 0.00 0.00 0.00 46.02 46.73 1b7t n GLY 34 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b7t h ASP 35 N 0.00 0.04 0.55 1.61 3.32 -1.38 0.37 116.42 120.93 1b7t h ASP 35 Ca 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1b7t h ASP 35 Cb 0.00 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1b7t h ASP 35 CO 0.00 -0.03 -0.32 0.58 -1.72 0.00 0.00 179.24 177.75 1b7t h VAL 36 N 0.01 0.00 -0.00 -1.35 2.07 -1.28 -2.50 116.25 113.20 1b7t h VAL 36 Ca 0.85 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.37 1b7t h VAL 36 Cb 3.30 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1b7t h VAL 36 CO -0.08 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.52 1b7t h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -1.00 -2.00 114.38 114.46 1b7t h ARG 38 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1b7t h ARG 38 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1b7t h ARG 38 CO -0.00 0.00 -1.16 0.00 -1.07 0.00 0.00 179.97 177.74 1b7t n LEU 40 N -3.18 3.13 0.00 0.00 4.77 -0.75 -4.90 117.00 116.06 1b7t n LEU 40 Ca -0.06 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 1b7t n LEU 40 Cb 0.92 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1b7t n LEU 40 CO 0.45 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1b7t n GLY 41 N 0.11 1.88 2.09 -0.72 0.00 -1.24 -5.05 105.19 102.26 1b7t n GLY 41 Ca 0.12 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 1b7t n GLY 41 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1b7t n ILE 42 N 0.00 0.00 -3.40 -0.61 5.41 -1.23 -4.84 119.36 114.69 1b7t n ILE 42 Ca 0.00 -0.33 -0.27 0.00 1.00 0.00 0.00 62.75 63.14 1b7t n ILE 42 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.83 1b7t n ILE 42 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1b7t s ASN 43 N -0.67 1.64 0.94 4.38 0.02 -1.26 -3.85 114.94 116.14 1b7t s ASN 43 Ca 0.33 -2.94 -0.14 0.00 -1.02 0.00 0.00 52.86 49.08 1b7t s ASN 43 Cb -0.23 -0.43 0.16 0.00 0.02 0.00 0.00 41.25 40.77 1b7t s ASN 43 CO 0.49 -0.19 1.18 -2.16 0.02 0.00 0.00 177.10 176.44 1b7t s PRO 44 N 0.20 0.89 0.07 -0.60 0.05 -1.26 -4.99 135.00 129.35 1b7t s PRO 44 Ca 0.31 0.08 -0.02 0.00 0.05 0.00 0.00 61.00 61.41 1b7t s PRO 44 Cb 0.00 -1.83 -0.05 0.00 0.05 0.00 0.00 34.50 32.68 1b7t s PRO 44 CO -0.17 -2.33 0.26 1.03 0.05 0.00 0.00 177.00 175.84 1b7t s ARG 45 N -5.47 3.51 0.24 4.56 0.52 -1.26 -4.92 118.95 116.13 1b7t s ARG 45 Ca 0.66 -0.29 -0.06 0.00 -0.52 0.00 0.00 55.73 55.53 1b7t s ARG 45 Cb -0.11 -3.00 0.43 0.00 0.52 0.00 0.00 34.95 32.79 1b7t s ARG 45 CO 0.53 0.58 1.69 -0.91 0.02 0.00 0.00 175.30 177.21 1b7t h ASN 46 N 3.18 0.02 -0.82 0.23 4.21 -1.98 1.20 115.58 121.61 1b7t h ASN 46 Ca -0.46 0.14 0.16 0.00 1.21 0.00 0.00 56.30 57.35 1b7t h ASN 46 Cb 1.17 0.19 -0.10 0.00 -1.12 0.00 0.00 38.32 38.45 1b7t h ASN 46 CO 0.73 -0.02 0.37 -0.08 -1.29 0.00 0.00 177.43 177.14 1b7t h GLU 47 N 0.27 0.48 0.67 0.81 4.81 -2.01 -2.23 114.58 117.39 1b7t h GLU 47 Ca 0.40 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.57 1b7t h GLU 47 Cb 0.66 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1b7t h GLU 47 CO -0.49 0.32 -0.46 -0.44 -0.73 0.00 0.00 179.01 177.20 1b7t h ASP 48 N 0.50 -1.20 -0.17 1.04 3.32 0.97 -3.00 116.42 117.87 1b7t h ASP 48 Ca 0.46 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.64 1b7t h ASP 48 Cb 0.73 0.37 -0.05 0.00 0.22 0.00 0.00 39.33 40.59 1b7t h ASP 48 CO -0.42 -0.69 -0.17 -0.37 -1.72 0.00 0.00 179.24 175.87 1b7t h VAL 49 N -1.08 0.54 -0.84 -1.35 -1.51 -0.38 -1.99 116.25 109.64 1b7t h VAL 49 Ca -0.09 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.50 1b7t h VAL 49 Cb 0.89 0.54 -0.06 0.00 -2.13 0.00 0.00 31.29 30.53 1b7t h VAL 49 CO 0.05 0.00 0.55 -0.26 -1.23 0.00 0.00 177.57 176.68 1b7t h PHE 50 N -0.20 0.82 -0.82 5.19 -1.00 -1.52 -0.47 116.94 118.95 1b7t h PHE 50 Ca 0.11 0.02 0.17 0.00 2.81 0.00 0.00 57.97 61.08 1b7t h PHE 50 Cb 0.36 -0.26 -0.06 0.00 3.61 0.00 0.00 35.95 39.60 1b7t h PHE 50 CO -0.30 0.35 0.54 0.00 -1.61 0.00 0.00 178.31 177.30 1b7t h ALA 51 N 1.59 2.13 0.00 2.45 0.00 -1.21 -2.42 119.26 121.80 1b7t h ALA 51 Ca 0.40 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 1b7t h ALA 51 Cb 0.54 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1b7t h ALA 51 CO -0.17 -0.37 -1.46 1.33 0.00 0.00 0.00 179.25 178.58 1b7t n VAL 52 N -4.49 0.88 0.00 0.00 0.24 -0.22 -4.95 118.33 109.78 1b7t n VAL 52 Ca 0.16 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1b7t n VAL 52 Cb 0.59 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 1b7t n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b7t n GLY 53 N 1.35 0.08 3.32 7.63 0.00 -0.91 -4.89 105.19 111.77 1b7t n GLY 53 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1b7t n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b7t n GLY 54 N 0.00 -2.42 3.19 -0.02 0.00 -1.00 -4.91 105.19 100.03 1b7t n GLY 54 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 1b7t n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b7t s THR 55 N -2.29 0.92 0.25 2.61 -4.23 -1.11 -4.62 115.64 107.15 1b7t s THR 55 Ca 0.54 -1.79 0.10 0.00 -1.18 0.00 0.00 61.69 59.37 1b7t s THR 55 Cb -0.16 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 1b7t s THR 55 CO 0.68 -0.68 1.58 0.45 -0.54 0.00 0.00 174.62 176.12 1b7t h HIS 56 N 3.26 0.00 -3.40 3.99 -0.00 -1.94 -3.40 115.15 113.66 1b7t h HIS 56 Ca -0.37 0.00 -0.35 0.00 -0.00 0.00 0.00 60.37 59.66 1b7t h HIS 56 Cb 1.18 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.45 1b7t h HIS 56 CO 0.63 0.64 -0.68 0.15 -0.00 0.00 0.00 177.93 178.67 1b7t s LYS 57 N -3.52 1.21 0.80 2.45 1.02 -1.26 -5.06 119.74 115.39 1b7t s LYS 57 Ca -0.01 -1.58 -0.14 0.00 0.02 0.00 0.00 55.97 54.26 1b7t s LYS 57 Cb 0.12 -0.57 0.20 0.00 -0.52 0.00 0.00 37.83 37.06 1b7t s LYS 57 CO 0.76 -0.04 0.72 -1.33 -0.92 0.00 0.00 175.35 174.54 1b7t n MET 58 N -0.32 -2.39 0.00 1.68 2.81 -1.26 -3.65 117.12 113.99 1b7t n MET 58 Ca -0.07 -1.15 0.00 0.00 -1.81 0.00 0.00 57.70 54.67 1b7t n MET 58 Cb 0.63 -1.07 0.00 0.00 -0.71 0.00 0.00 33.22 32.07 1b7t n MET 58 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b7t n GLY 59 N -2.25 0.00 0.24 3.03 0.00 -1.26 -4.56 105.19 100.39 1b7t n GLY 59 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1b7t n GLY 59 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b7t n GLU 60 N 0.00 -0.05 -3.65 1.61 2.13 -1.24 -4.68 120.64 114.76 1b7t n GLU 60 Ca 0.00 1.05 -0.02 0.00 0.66 0.00 0.00 57.16 58.85 1b7t n GLU 60 Cb 0.00 -1.69 -0.03 0.00 0.27 0.00 0.00 31.44 29.98 1b7t n GLU 60 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1b7t s LYS 61 N -5.53 0.02 0.25 5.31 2.20 -1.26 -5.08 119.74 115.64 1b7t s LYS 61 Ca -0.09 0.00 0.10 0.00 -0.36 0.00 0.00 55.97 55.63 1b7t s LYS 61 Cb 0.21 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 1b7t s LYS 61 CO 0.55 -0.01 -0.09 -1.12 -0.36 0.00 0.00 175.35 174.32 1b7t s SER 62 N -1.28 4.15 0.03 1.43 0.01 -1.26 -0.47 113.70 116.30 1b7t s SER 62 Ca 0.10 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 56.63 1b7t s SER 62 Cb -0.01 -0.63 -0.02 0.00 0.21 0.00 0.00 66.02 65.57 1b7t s SER 62 CO -0.07 0.04 -0.06 -0.76 0.41 0.00 0.00 173.24 172.80 1b7t s LEU 63 N -3.37 2.19 0.00 2.44 1.43 0.45 -4.78 118.68 117.03 1b7t s LEU 63 Ca 0.29 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1b7t s LEU 63 Cb -0.07 -0.12 0.07 0.00 0.03 0.00 0.00 46.19 46.10 1b7t s LEU 63 CO 0.17 -0.16 0.40 -0.81 0.23 0.00 0.00 176.35 176.18 1b7t n PRO 64 N 1.87 -0.31 0.12 1.29 -0.04 -1.26 -0.02 135.00 136.65 1b7t n PRO 64 Ca -0.20 -0.67 0.11 0.00 -0.04 0.00 0.00 63.50 62.70 1b7t n PRO 64 Cb 0.56 -0.40 0.03 0.00 -0.04 0.00 0.00 33.50 33.64 1b7t n PRO 64 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1b7t h PHE 65 N -1.14 0.00 -0.40 0.54 3.04 -1.99 -3.12 116.94 113.87 1b7t h PHE 65 Ca -0.13 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.77 1b7t h PHE 65 Cb 0.37 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.87 1b7t h PHE 65 CO 0.00 0.01 0.06 0.93 -2.02 0.00 0.00 178.31 177.29 1b7t h GLU 66 N 0.00 0.67 0.00 1.11 4.39 -1.97 -2.87 114.58 115.92 1b7t h GLU 66 Ca -0.00 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 1b7t h GLU 66 Cb 1.01 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1b7t h GLU 66 CO 0.00 0.72 -0.37 1.05 -1.16 0.00 0.00 179.01 179.25 1b7t h GLU 67 N 0.52 0.00 -0.49 2.33 9.09 -1.96 -3.33 114.58 120.74 1b7t h GLU 67 Ca 0.12 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.43 1b7t h GLU 67 Cb 0.38 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.46 1b7t h GLU 67 CO 0.01 0.20 -0.10 0.35 0.05 0.00 0.00 179.01 179.52 1b7t h PHE 68 N 0.00 1.00 -0.67 2.06 3.57 -1.45 -3.30 116.94 118.16 1b7t h PHE 68 Ca -0.01 -0.19 0.14 0.00 3.53 0.00 0.00 57.97 61.44 1b7t h PHE 68 Cb 1.18 -0.25 -0.11 0.00 2.79 0.00 0.00 35.95 39.55 1b7t h PHE 68 CO 0.00 0.95 0.01 1.25 -2.23 0.00 0.00 178.31 178.29 1b7t h LEU 69 N 0.81 -0.29 -0.82 0.59 5.85 -1.62 -1.72 115.31 118.11 1b7t h LEU 69 Ca 0.13 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1b7t h LEU 69 Cb 0.62 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1b7t h LEU 69 CO 0.04 -0.13 -0.13 -0.65 -0.34 0.00 0.00 178.44 177.23 1b7t h PRO 70 N 0.12 0.00 -0.29 5.25 0.11 -1.81 -1.58 132.00 133.80 1b7t h PRO 70 Ca 0.36 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.34 1b7t h PRO 70 Cb 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1b7t h PRO 70 CO -0.58 0.13 -0.33 0.00 -0.21 0.00 0.00 178.00 177.02 1b7t h ALA 71 N 1.87 0.89 0.00 -0.75 0.00 -1.42 0.38 119.26 120.23 1b7t h ALA 71 Ca -0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 1b7t h ALA 71 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1b7t h ALA 71 CO 0.02 0.63 -0.57 -0.92 0.00 0.00 0.00 179.25 178.40 1b7t h TYR 72 N 0.53 0.00 -0.30 0.00 3.20 -1.32 0.20 116.97 119.29 1b7t h TYR 72 Ca 0.06 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.75 1b7t h TYR 72 Cb 0.82 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 1b7t h TYR 72 CO 0.04 0.49 -0.51 1.49 -1.64 0.00 0.00 178.16 178.03 1b7t h GLU 73 N 0.00 0.87 0.27 1.82 4.57 -0.80 -3.17 114.58 118.14 1b7t h GLU 73 Ca -0.02 -0.54 -0.01 0.00 -1.18 0.00 0.00 59.36 57.61 1b7t h GLU 73 Cb 1.39 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.04 1b7t h GLU 73 CO 0.06 1.18 -0.13 0.78 -1.18 0.00 0.00 179.01 179.72 1b7t h GLY 74 N 0.66 -0.38 -0.29 1.92 0.00 -0.09 -3.12 103.07 101.76 1b7t h GLY 74 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1b7t h GLY 74 CO 0.12 -0.14 0.00 1.04 0.00 0.00 0.00 176.54 177.56 1b7t n LEU 75 N -3.11 0.00 -0.13 3.11 4.77 0.04 -1.69 117.00 119.99 1b7t n LEU 75 Ca -0.05 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.66 1b7t n LEU 75 Cb 0.14 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 1b7t n LEU 75 CO 0.11 0.00 -1.40 0.23 -1.33 0.00 0.00 177.39 175.00 1b7t n MET 76 N -0.18 0.57 0.00 3.23 2.81 -1.18 -4.36 117.12 118.01 1b7t n MET 76 Ca 0.00 0.24 0.06 0.00 -1.81 0.00 0.00 57.70 56.19 1b7t n MET 76 Cb 0.00 -1.45 0.33 0.00 -0.71 0.00 0.00 33.22 31.39 1b7t n MET 76 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1b7t n ASP 77 N -4.09 0.00 -4.80 7.83 9.92 -0.68 -4.76 116.55 119.97 1b7t n ASP 77 Ca -0.52 -0.21 -0.39 0.00 -0.53 0.00 0.00 54.79 53.15 1b7t n ASP 77 Cb 0.88 -0.10 -0.06 0.00 -0.64 0.00 0.00 41.12 41.21 1b7t n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b7t n GLU 79 N 1.76 1.57 -4.68 0.00 2.13 -1.26 -5.03 120.64 115.13 1b7t n GLU 79 Ca -0.09 0.56 -0.32 0.00 0.66 0.00 0.00 57.16 57.97 1b7t n GLU 79 Cb 0.50 -2.15 -0.12 0.00 0.27 0.00 0.00 31.44 29.95 1b7t n GLU 79 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1b7t s GLN 80 N -0.29 2.46 -0.14 5.31 1.03 -1.26 -4.97 119.66 121.81 1b7t s GLN 80 Ca 0.72 -0.75 -0.29 0.00 0.04 0.00 0.00 55.36 55.08 1b7t s GLN 80 Cb -0.76 -2.40 -0.01 0.00 0.03 0.00 0.00 33.01 29.87 1b7t s GLN 80 CO 0.50 0.60 0.99 0.20 -2.54 0.00 0.00 175.29 175.05 1b7t s GLY 81 N -1.10 2.20 1.03 2.60 0.00 -1.26 -5.05 107.32 105.73 1b7t s GLY 81 Ca 0.14 0.30 -0.17 0.00 0.00 0.00 0.00 44.72 44.99 1b7t s GLY 81 CO 0.04 1.94 1.27 -0.51 0.00 0.00 0.00 173.10 175.84 1b7t s THR 82 N 2.26 1.89 0.19 0.90 -4.23 -1.26 -4.90 115.64 110.49 1b7t s THR 82 Ca 0.46 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.94 1b7t s THR 82 Cb -0.17 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.75 1b7t s THR 82 CO 0.15 0.00 1.50 0.15 -0.54 0.00 0.00 174.62 175.88 1b7t h PHE 83 N -1.90 0.70 0.25 3.99 3.57 -1.99 -2.79 116.94 118.77 1b7t h PHE 83 Ca -0.44 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 60.82 1b7t h PHE 83 Cb 1.25 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 1b7t h PHE 83 CO -1.45 0.98 -0.43 0.00 -2.23 0.00 0.00 178.31 175.18 1b7t h ALA 84 N 0.97 -0.85 -0.38 2.41 0.00 -1.99 0.20 119.26 119.63 1b7t h ALA 84 Ca 0.01 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1b7t h ALA 84 Cb 1.09 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 1b7t h ALA 84 CO 0.10 -1.03 0.01 -0.44 0.00 0.00 0.00 179.25 177.89 1b7t h ASP 85 N -0.75 -0.14 0.34 0.00 5.19 -1.92 0.29 116.42 119.42 1b7t h ASP 85 Ca -0.01 0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 56.43 1b7t h ASP 85 Cb 0.72 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 1b7t h ASP 85 CO -0.17 -0.03 -0.30 1.88 -3.12 0.00 0.00 179.24 177.49 1b7t h TYR 86 N 0.11 0.00 -0.10 4.55 0.05 -1.23 -2.33 116.97 118.02 1b7t h TYR 86 Ca 0.19 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.82 1b7t h TYR 86 Cb 0.26 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.00 1b7t h TYR 86 CO -0.25 0.30 -0.49 0.52 -1.05 0.00 0.00 178.16 177.19 1b7t h MET 87 N 0.00 0.51 0.15 4.88 2.86 0.14 -2.95 114.93 120.52 1b7t h MET 87 Ca -0.00 -0.41 -0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1b7t h MET 87 Cb 0.55 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1b7t h MET 87 CO 0.04 1.04 -0.20 0.93 1.06 0.00 0.00 176.91 179.78 1b7t h GLU 88 N 0.10 -0.35 -0.88 1.72 4.39 -0.17 -1.85 114.58 117.54 1b7t h GLU 88 Ca -0.03 0.02 0.20 0.00 0.34 0.00 0.00 59.36 59.89 1b7t h GLU 88 Cb 1.14 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 29.75 1b7t h GLU 88 CO 0.10 -0.23 0.42 0.00 -1.16 0.00 0.00 179.01 178.14 1b7t h ALA 89 N -1.34 1.39 0.00 3.43 0.00 -1.56 0.11 119.26 121.29 1b7t h ALA 89 Ca -0.02 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1b7t h ALA 89 Cb 0.33 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1b7t h ALA 89 CO -0.05 -0.25 -0.21 0.74 0.00 0.00 0.00 179.25 179.48 1b7t h PHE 90 N 0.48 0.00 -0.47 0.00 0.04 -1.37 -2.84 116.94 112.78 1b7t h PHE 90 Ca 0.53 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.21 1b7t h PHE 90 Cb 0.93 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 1b7t h PHE 90 CO -0.12 0.21 -0.07 -0.22 -0.60 0.00 0.00 178.31 177.51 1b7t h LYS 91 N 0.00 0.83 0.00 1.51 3.64 0.09 -2.91 116.57 119.73 1b7t h LYS 91 Ca -0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1b7t h LYS 91 Cb 0.61 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1b7t h LYS 91 CO 0.03 0.88 0.00 0.25 -2.27 0.00 0.00 179.45 178.34 1b7t n THR 92 N -4.17 0.00 0.14 1.00 -2.24 -1.07 -0.41 114.28 107.53 1b7t n THR 92 Ca 0.02 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.81 1b7t n THR 92 Cb 0.35 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1b7t n THR 92 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1b7t n PHE 93 N -0.94 0.00 -3.28 4.78 3.01 -1.10 -4.93 117.46 115.00 1b7t n PHE 93 Ca 0.01 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.02 1b7t n PHE 93 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 1b7t n PHE 93 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1b7t s ASP 94 N -0.58 6.18 0.12 4.37 2.15 0.46 -4.91 116.67 124.45 1b7t s ASP 94 Ca 0.03 -1.45 -0.08 0.00 0.43 0.00 0.00 52.55 51.48 1b7t s ASP 94 Cb 0.03 -2.23 -0.12 0.00 -0.30 0.00 0.00 42.92 40.30 1b7t s ASP 94 CO 0.07 -0.84 1.29 0.08 -0.17 0.00 0.00 175.17 175.60 1b7t h ARG 95 N 8.91 0.54 -0.57 4.34 0.11 -1.92 -3.23 114.38 122.57 1b7t h ARG 95 Ca -0.29 -0.54 -0.09 0.00 0.10 0.00 0.00 59.98 59.16 1b7t h ARG 95 Cb 1.10 0.14 -0.02 0.00 1.11 0.00 0.00 29.97 32.30 1b7t h ARG 95 CO 0.99 1.17 0.01 0.93 0.10 0.00 0.00 179.97 183.17 1b7t h GLU 96 N 0.32 0.99 0.00 0.08 4.39 -1.95 -3.47 114.58 114.94 1b7t h GLU 96 Ca -0.08 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1b7t h GLU 96 Cb 1.55 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 1b7t h GLU 96 CO 0.17 0.96 0.00 0.41 -1.16 0.00 0.00 179.01 179.39 1b7t n GLY 97 N -0.50 1.03 2.14 -3.84 0.00 -1.22 -4.96 105.19 97.84 1b7t n GLY 97 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1b7t n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1b7t n GLN 98 N -2.00 2.31 -2.42 1.61 6.02 -1.26 -4.89 117.38 116.74 1b7t n GLN 98 Ca 0.00 -2.58 -0.21 0.00 -0.01 0.00 0.00 57.00 54.20 1b7t n GLN 98 Cb 0.00 -2.01 -0.01 0.00 1.02 0.00 0.00 30.24 29.24 1b7t n GLN 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b7t n GLY 99 N -0.44 -0.50 3.69 1.08 0.00 -1.26 -5.00 105.19 102.77 1b7t n GLY 99 Ca 0.50 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 1b7t n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b7t n PHE 100 N -4.01 0.44 0.00 1.61 3.72 -1.26 -2.81 117.46 115.15 1b7t n PHE 100 Ca -0.24 -2.42 0.00 0.00 -0.05 0.00 0.00 57.45 54.74 1b7t n PHE 100 Cb 0.68 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1b7t n PHE 100 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1b7t n ILE 101 N -1.48 0.00 -3.76 4.37 3.06 -1.05 -4.67 119.36 115.83 1b7t n ILE 101 Ca -0.13 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 59.91 1b7t n ILE 101 Cb 0.63 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.79 1b7t n ILE 101 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1b7t s SER 102 N 0.00 5.73 0.05 9.51 1.04 -1.26 -0.12 113.70 128.64 1b7t s SER 102 Ca 0.00 -0.26 -0.29 0.00 0.48 0.00 0.00 55.95 55.88 1b7t s SER 102 Cb 0.00 -1.26 -0.16 0.00 0.10 0.00 0.00 66.02 64.70 1b7t s SER 102 CO 0.00 -0.29 1.43 1.23 0.98 0.00 0.00 173.24 176.59 1b7t h GLY 103 N 1.14 -1.08 -0.90 7.32 0.00 -1.78 -1.81 103.07 105.97 1b7t h GLY 103 Ca -0.47 0.40 0.25 0.00 0.00 0.00 0.00 47.33 47.51 1b7t h GLY 103 CO 0.57 -0.39 0.03 0.00 0.00 0.00 0.00 176.54 176.75 1b7t n ALA 104 N -2.51 0.47 -0.03 3.60 0.00 -1.26 -0.66 120.51 120.11 1b7t n ALA 104 Ca -0.13 0.97 -0.13 0.00 0.00 0.00 0.00 53.44 54.15 1b7t n ALA 104 Cb 0.41 -0.71 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 1b7t n ALA 104 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1b7t h GLU 105 N 0.00 0.18 -0.67 0.00 4.81 -1.94 -2.18 114.58 114.78 1b7t h GLU 105 Ca 0.55 -0.11 0.13 0.00 -0.13 0.00 0.00 59.36 59.80 1b7t h GLU 105 Cb 1.15 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 1b7t h GLU 105 CO -0.85 0.69 0.19 1.25 -0.73 0.00 0.00 179.01 179.56 1b7t h LEU 106 N -0.31 0.09 -0.38 1.64 5.85 0.01 0.29 115.31 122.50 1b7t h LEU 106 Ca 0.00 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1b7t h LEU 106 Cb 0.68 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 1b7t h LEU 106 CO 0.02 0.03 0.02 -0.09 -0.34 0.00 0.00 178.44 178.09 1b7t h ARG 107 N 0.32 0.12 -0.71 1.25 9.65 -0.86 -1.84 114.38 122.31 1b7t h ARG 107 Ca 0.36 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.30 1b7t h ARG 107 Cb 0.55 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.04 1b7t h ARG 107 CO -0.42 0.08 0.39 1.25 2.80 0.00 0.00 179.97 184.07 1b7t h HIS 108 N 0.13 0.71 -0.51 2.20 2.76 0.15 0.18 115.15 120.77 1b7t h HIS 108 Ca 0.18 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1b7t h HIS 108 Cb 0.25 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1b7t h HIS 108 CO -0.24 0.32 0.30 0.28 -1.30 0.00 0.00 177.93 177.29 1b7t h VAL 109 N 0.70 1.16 0.19 5.26 2.07 -0.23 0.50 116.25 125.90 1b7t h VAL 109 Ca 0.33 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1b7t h VAL 109 Cb 0.25 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1b7t h VAL 109 CO -0.21 0.17 -0.09 -0.07 0.02 0.00 0.00 177.57 177.38 1b7t h LEU 110 N 0.68 -0.22 -0.13 2.57 3.38 -1.03 -2.67 115.31 117.90 1b7t h LEU 110 Ca 0.18 -0.31 -0.23 0.00 0.09 0.00 0.00 57.88 57.61 1b7t h LEU 110 Cb 0.01 0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1b7t h LEU 110 CO -0.03 0.27 -0.84 0.71 0.09 0.00 0.00 178.44 178.65 1b7t h THR 111 N -0.80 1.28 0.12 0.22 1.35 -0.99 -2.75 112.91 111.33 1b7t h THR 111 Ca -0.03 -2.03 -0.36 0.00 -0.55 0.00 0.00 66.41 63.44 1b7t h THR 111 Cb 0.52 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 1b7t h THR 111 CO 0.04 0.64 -1.99 0.00 -0.25 0.00 0.00 175.52 173.97 1b7t n ALA 112 N -2.62 0.90 -2.72 6.62 0.00 0.17 -4.02 120.51 118.86 1b7t n ALA 112 Ca -0.08 -0.59 -0.22 0.00 0.00 0.00 0.00 53.44 52.54 1b7t n ALA 112 Cb 0.78 -0.69 -0.01 0.00 0.00 0.00 0.00 19.45 19.52 1b7t n ALA 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b7t s LEU 113 N -7.01 4.08 0.00 0.00 1.43 -1.00 -4.81 118.68 111.36 1b7t s LEU 113 Ca -0.22 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1b7t s LEU 113 Cb 0.07 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.20 1b7t s LEU 113 CO 0.77 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.69 1b7t n GLY 114 N -1.67 -0.74 3.52 -3.19 0.00 -1.26 -3.87 105.19 97.99 1b7t n GLY 114 Ca -0.05 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 1b7t n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b7t n GLU 115 N -1.61 0.35 -0.76 1.61 1.02 -1.26 -4.84 120.64 115.14 1b7t n GLU 115 Ca 0.00 -0.77 -0.28 0.00 -0.02 0.00 0.00 57.16 56.08 1b7t n GLU 115 Cb 0.03 -3.07 0.03 0.00 -0.02 0.00 0.00 31.44 28.41 1b7t n GLU 115 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1b7t n ARG 116 N 7.83 0.00 -4.00 3.49 1.74 -1.25 -5.00 116.66 119.47 1b7t n ARG 116 Ca 0.48 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.32 1b7t n ARG 116 Cb 0.38 -0.76 -0.17 0.00 -1.02 0.00 0.00 32.46 30.89 1b7t n ARG 116 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1b7t s LEU 117 N 6.12 1.10 0.93 0.55 1.43 -1.04 -5.00 118.68 122.77 1b7t s LEU 117 Ca 0.30 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 1b7t s LEU 117 Cb -0.07 -0.65 -0.09 0.00 0.03 0.00 0.00 46.19 45.40 1b7t s LEU 117 CO 0.60 -0.11 -0.34 -1.20 0.23 0.00 0.00 176.35 175.53 1b7t n SER 118 N 4.69 -4.48 0.28 2.29 7.64 -1.26 -4.19 113.62 118.59 1b7t n SER 118 Ca -0.14 0.28 0.18 0.00 1.01 0.00 0.00 58.87 60.19 1b7t n SER 118 Cb 0.50 -0.92 0.72 0.00 -1.01 0.00 0.00 64.21 63.51 1b7t n SER 118 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1b7t h ASP 119 N -1.04 0.00 0.03 6.43 1.82 -1.99 -3.13 116.42 118.53 1b7t h ASP 119 Ca -0.44 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.11 1b7t h ASP 119 Cb 1.31 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.33 1b7t h ASP 119 CO 0.29 0.00 -0.39 -0.33 -1.61 0.00 0.00 179.24 177.19 1b7t h GLU 120 N 0.00 0.21 -0.10 0.28 4.39 -2.00 -2.93 114.58 114.43 1b7t h GLU 120 Ca 0.00 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.46 1b7t h GLU 120 Cb 0.46 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1b7t h GLU 120 CO 0.00 1.04 0.08 -0.44 -1.16 0.00 0.00 179.01 178.52 1b7t h ASP 121 N -0.49 0.00 0.36 1.42 3.32 -1.89 -0.14 116.42 119.01 1b7t h ASP 121 Ca -0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1b7t h ASP 121 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1b7t h ASP 121 CO 0.08 0.00 -0.17 0.58 -1.72 0.00 0.00 179.24 178.00 1b7t h VAL 122 N 0.00 0.00 -0.34 -1.35 2.07 -1.57 -1.50 116.25 113.55 1b7t h VAL 122 Ca 0.05 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.19 1b7t h VAL 122 Cb 0.20 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1b7t h VAL 122 CO -0.00 0.00 0.36 0.44 0.02 0.00 0.00 177.57 178.39 1b7t h ASP 123 N -0.96 0.00 0.00 0.57 5.19 -1.31 -0.92 116.42 118.99 1b7t h ASP 123 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1b7t h ASP 123 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1b7t h ASP 123 CO 0.08 0.00 0.00 1.21 -3.12 0.00 0.00 179.24 177.41 1b7t n GLU 124 N -3.79 0.00 -0.14 3.56 0.00 -0.09 -2.06 120.64 118.12 1b7t n GLU 124 Ca 0.06 0.00 0.28 0.00 0.00 0.00 0.00 57.16 57.49 1b7t n GLU 124 Cb 0.52 -0.83 0.65 0.00 0.00 0.00 0.00 31.44 31.79 1b7t n GLU 124 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 1b7t h ILE 125 N 0.00 0.24 0.72 6.31 6.09 -1.00 0.31 117.51 130.17 1b7t h ILE 125 Ca 0.00 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.45 1b7t h ILE 125 Cb 0.00 0.36 0.01 0.00 0.47 0.00 0.00 36.82 37.65 1b7t h ILE 125 CO 0.00 0.00 -0.34 0.40 -3.07 0.00 0.00 178.15 175.14 1b7t h ILE 126 N 0.00 0.00 -0.89 2.19 2.04 -1.21 -1.75 117.51 117.90 1b7t h ILE 126 Ca 0.41 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 66.18 1b7t h ILE 126 Cb 2.06 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 38.07 1b7t h ILE 126 CO -0.00 0.00 0.53 0.11 0.00 0.00 0.00 178.15 178.79 1b7t h LYS 127 N -1.14 0.88 0.00 2.37 1.57 0.08 0.15 116.57 120.48 1b7t h LYS 127 Ca -0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1b7t h LYS 127 Cb 0.74 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1b7t h LYS 127 CO 0.16 0.58 0.00 1.28 -0.57 0.00 0.00 179.45 180.90 1b7t n LEU 128 N -4.67 0.00 0.00 2.94 4.77 0.16 -1.92 117.00 118.28 1b7t n LEU 128 Ca 0.15 0.76 0.00 0.00 -0.03 0.00 0.00 56.01 56.88 1b7t n LEU 128 Cb 0.26 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1b7t n LEU 128 CO 0.28 -0.26 0.37 0.35 -1.33 0.00 0.00 177.39 176.80 1b7t n THR 129 N -1.38 0.89 -3.90 -5.08 -2.24 -0.66 -4.80 114.28 97.10 1b7t n THR 129 Ca 0.00 0.28 -0.25 0.00 -2.27 0.00 0.00 64.05 61.80 1b7t n THR 129 Cb 0.00 -1.28 -0.00 0.00 -2.10 0.00 0.00 70.33 66.95 1b7t n THR 129 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b7t n ASP 130 N -1.18 -1.07 -4.74 3.42 5.68 0.46 -4.91 116.55 114.21 1b7t n ASP 130 Ca 0.00 -0.94 -0.41 0.00 -0.50 0.00 0.00 54.79 52.94 1b7t n ASP 130 Cb 0.05 -3.36 -0.03 0.00 -1.14 0.00 0.00 41.12 36.64 1b7t n ASP 130 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1b7t s LEU 131 N -6.93 4.45 0.02 -2.12 2.96 -0.69 -5.01 118.68 111.35 1b7t s LEU 131 Ca 0.11 2.29 0.05 0.00 -0.22 0.00 0.00 54.13 56.35 1b7t s LEU 131 Cb -0.06 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 1b7t s LEU 131 CO 0.87 -0.40 -0.15 -1.10 -1.32 0.00 0.00 176.35 174.25 1b7t s GLN 132 N -0.31 1.05 0.29 1.98 -0.21 -1.26 -4.88 119.66 116.32 1b7t s GLN 132 Ca 0.53 -0.69 0.03 0.00 0.02 0.00 0.00 55.36 55.24 1b7t s GLN 132 Cb -0.34 -1.05 -0.03 0.00 1.00 0.00 0.00 33.01 32.59 1b7t s GLN 132 CO 0.38 0.27 0.45 -1.21 -2.12 0.00 0.00 175.29 173.06 1b7t s GLU 133 N -0.88 3.46 0.00 2.91 2.02 -1.26 -4.72 118.70 120.24 1b7t s GLU 133 Ca 0.03 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1b7t s GLU 133 Cb -0.07 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.38 1b7t s GLU 133 CO 0.01 0.29 0.00 -0.40 0.02 0.00 0.00 175.26 175.18 1b7t n ASP 134 N -1.56 0.00 -0.05 -0.19 5.68 -0.89 -4.87 116.55 114.67 1b7t n ASP 134 Ca -0.07 -0.18 -0.02 0.00 -0.50 0.00 0.00 54.79 54.02 1b7t n ASP 134 Cb 0.56 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.79 1b7t n ASP 134 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1b7t h LEU 135 N 0.00 0.60 -0.04 -2.12 3.38 -2.00 -2.13 115.31 113.00 1b7t h LEU 135 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1b7t h LEU 135 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1b7t h LEU 135 CO 0.00 0.67 -0.04 -0.62 0.09 0.00 0.00 178.44 178.53 1b7t n GLU 136 N -4.26 0.37 -2.24 1.13 -0.58 -1.26 -4.92 120.64 108.89 1b7t n GLU 136 Ca 0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 57.16 56.71 1b7t n GLU 136 Cb 0.26 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1b7t n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b7t n GLY 137 N 1.34 0.59 3.62 0.62 0.00 -0.80 -5.01 105.19 105.55 1b7t n GLY 137 Ca 0.12 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 1b7t n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b7t s ASN 138 N -2.99 4.38 0.01 1.61 -0.87 -1.26 -2.18 114.94 113.64 1b7t s ASN 138 Ca 0.01 -0.74 0.00 0.00 -1.57 0.00 0.00 52.86 50.57 1b7t s ASN 138 Cb -0.00 -0.73 -0.01 0.00 -0.02 0.00 0.00 41.25 40.48 1b7t s ASN 138 CO 0.01 -0.03 -0.02 0.68 -2.57 0.00 0.00 177.10 175.17 1b7t s VAL 139 N -2.37 0.13 -0.61 1.60 -7.23 0.82 -2.11 120.40 110.63 1b7t s VAL 139 Ca 0.32 -0.43 -0.28 0.00 -1.81 0.00 0.00 61.98 59.78 1b7t s VAL 139 Cb -0.06 -0.18 0.02 0.00 0.56 0.00 0.00 36.38 36.72 1b7t s VAL 139 CO 0.19 -0.19 1.38 -0.54 -0.31 0.00 0.00 175.10 175.63 1b7t s LYS 140 N -0.65 3.25 0.29 4.82 -0.14 -1.26 -2.52 119.74 123.52 1b7t s LYS 140 Ca -0.06 0.26 0.22 0.00 -1.36 0.00 0.00 55.97 55.02 1b7t s LYS 140 Cb -0.05 -4.14 1.07 0.00 -1.68 0.00 0.00 37.83 33.03 1b7t s LYS 140 CO -0.00 -2.02 1.66 2.48 -0.76 0.00 0.00 175.35 176.70 1b7t n TYR 141 N 9.61 0.73 -0.08 3.18 4.11 -1.12 -2.10 117.16 131.49 1b7t n TYR 141 Ca 0.10 0.35 -0.13 0.00 -0.00 0.00 0.00 57.90 58.22 1b7t n TYR 141 Cb 0.49 -1.05 -0.05 0.00 -0.00 0.00 0.00 39.34 38.72 1b7t n TYR 141 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1b7t h GLU 142 N 0.00 0.49 0.76 -3.48 4.81 -1.88 -2.57 114.58 112.71 1b7t h GLU 142 Ca 0.00 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 1b7t h GLU 142 Cb 0.13 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1b7t h GLU 142 CO 0.00 0.79 -0.46 -0.44 -0.73 0.00 0.00 179.01 178.17 1b7t h ASP 143 N 0.19 -1.17 -0.55 1.04 3.32 -1.80 -2.71 116.42 114.74 1b7t h ASP 143 Ca 0.04 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.22 1b7t h ASP 143 Cb 0.67 0.34 -0.09 0.00 0.22 0.00 0.00 39.33 40.47 1b7t h ASP 143 CO 0.04 -0.72 -0.54 0.15 -1.72 0.00 0.00 179.24 176.45 1b7t h PHE 144 N -1.15 -1.67 -1.03 4.55 3.57 -1.59 0.79 116.94 120.40 1b7t h PHE 144 Ca -0.10 0.09 0.26 0.00 3.53 0.00 0.00 57.97 61.75 1b7t h PHE 144 Cb 0.92 0.80 -0.11 0.00 2.79 0.00 0.00 35.95 40.35 1b7t h PHE 144 CO -0.10 -0.43 0.63 0.28 -2.23 0.00 0.00 178.31 176.46 1b7t h VAL 145 N -0.27 0.52 -0.60 1.41 2.07 -1.43 -0.20 116.25 117.75 1b7t h VAL 145 Ca 0.09 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1b7t h VAL 145 Cb 0.51 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1b7t h VAL 145 CO -0.66 0.09 0.06 0.11 0.02 0.00 0.00 177.57 177.19 1b7t h LYS 146 N 0.49 1.00 0.58 1.57 1.57 -0.53 -1.76 116.57 119.47 1b7t h LYS 146 Ca 0.63 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 59.11 1b7t h LYS 146 Cb 1.39 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.59 1b7t h LYS 146 CO -0.39 0.95 -0.28 0.87 -0.57 0.00 0.00 179.45 180.02 1b7t h LYS 147 N 0.93 -0.74 -0.99 3.15 1.57 -0.41 0.17 116.57 120.25 1b7t h LYS 147 Ca 0.18 0.05 0.32 0.00 -1.87 0.00 0.00 60.65 59.33 1b7t h LYS 147 Cb 0.46 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 32.79 1b7t h LYS 147 CO 0.02 -0.50 0.52 0.28 -0.57 0.00 0.00 179.45 179.20 1b7t h VAL 148 N -1.17 0.28 -0.23 0.50 2.07 -1.43 1.50 116.25 117.77 1b7t h VAL 148 Ca -0.08 -0.10 -0.16 0.00 0.82 0.00 0.00 66.70 67.18 1b7t h VAL 148 Cb 0.59 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1b7t h VAL 148 CO 0.13 0.05 -0.52 0.24 0.02 0.00 0.00 177.57 177.49 1b7t h MET 149 N 0.29 0.65 0.13 1.57 2.86 -1.23 -3.31 114.93 115.89 1b7t h MET 149 Ca 0.72 -0.40 0.01 0.00 -2.06 0.00 0.00 59.70 57.97 1b7t h MET 149 Cb 1.64 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 33.31 1b7t h MET 149 CO -0.63 1.01 -0.43 0.00 1.06 0.00 0.00 176.91 177.92 1b7t h ALA 150 N 0.91 -0.94 0.00 6.32 0.00 0.52 -3.50 119.26 122.58 1b7t h ALA 150 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1b7t h ALA 150 Cb 1.08 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1b7t h ALA 150 CO 0.10 -1.04 0.00 0.41 0.00 0.00 0.00 179.25 178.73 1b7t n GLY 151 N -1.40 2.53 0.15 0.00 0.00 -0.86 -4.80 105.19 100.81 1b7t n GLY 151 Ca -0.07 -1.96 0.02 0.00 0.00 0.00 0.00 46.02 44.01 1b7t n GLY 151 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1b7t h PRO 152 N 0.00 0.00 -4.11 1.61 0.11 -1.91 -3.39 132.00 124.31 1b7t h PRO 152 Ca 0.00 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.50 1b7t h PRO 152 Cb 0.00 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 30.72 1b7t h PRO 152 CO 0.00 0.53 -0.76 0.71 -0.21 0.00 0.00 178.00 178.28 1b7t s TYR 153 N -3.39 2.42 -2.93 0.65 2.02 -1.26 -5.13 117.35 109.73 1b7t s TYR 153 Ca 0.00 -2.01 0.25 0.00 -0.37 0.00 0.00 57.07 54.94 1b7t s TYR 153 Cb 0.11 -1.93 0.31 0.00 -0.40 0.00 0.00 41.96 40.05 1b7t s TYR 153 CO 0.73 -0.84 1.33 -0.35 -1.57 0.00 0.00 175.55 174.84