#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pbj h VAL 3 N 0.00 0.61 0.00 1.55 2.07 -0.77 0.36 116.25 120.06 1pbj h VAL 3 Ca 0.00 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1pbj h VAL 3 Cb 0.00 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1pbj h VAL 3 CO 0.00 0.08 -0.01 1.05 0.02 0.00 0.00 177.57 178.71 1pbj h GLU 4 N 0.42 0.00 0.00 1.57 4.11 -1.55 -1.93 114.58 117.20 1pbj h GLU 4 Ca 0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.86 1pbj h GLU 4 Cb 0.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1pbj h GLU 4 CO -0.44 0.01 -0.04 -0.44 0.07 0.00 0.00 179.01 178.17 1pbj h ASP 5 N 0.00 0.00 -2.27 3.06 3.32 -1.21 -3.48 116.42 115.84 1pbj h ASP 5 Ca -0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1pbj h ASP 5 Cb 0.06 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.19 1pbj h ASP 5 CO 0.00 0.04 -0.63 1.33 -1.72 0.00 0.00 179.24 178.25 1pbj n VAL 6 N -3.11 2.91 -3.75 -1.35 0.24 -0.73 -5.02 118.33 107.52 1pbj n VAL 6 Ca 0.03 -5.50 -0.18 0.00 -2.04 0.00 0.00 64.34 56.65 1pbj n VAL 6 Cb 0.52 -1.55 -0.17 0.00 -1.47 0.00 0.00 33.84 31.18 1pbj n VAL 6 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1pbj s VAL 8 N -4.03 -0.03 -0.21 3.34 1.01 0.09 -4.90 120.40 115.67 1pbj s VAL 8 Ca 0.47 0.28 0.22 0.00 0.00 0.00 0.00 61.98 62.95 1pbj s VAL 8 Cb 0.25 -0.16 -0.21 0.00 0.00 0.00 0.00 36.38 36.27 1pbj s VAL 8 CO -0.11 0.14 0.73 0.35 0.00 0.00 0.00 175.10 176.21 1pbj n THR 9 N 4.67 0.20 -2.46 3.92 -2.24 -1.26 -1.11 114.28 116.01 1pbj n THR 9 Ca -0.17 -0.46 -0.43 0.00 -2.27 0.00 0.00 64.05 60.73 1pbj n THR 9 Cb 0.50 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1pbj n THR 9 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1pbj n ASP 10 N -2.31 4.79 -4.86 3.42 4.64 -1.26 -4.77 116.55 116.21 1pbj n ASP 10 Ca -0.02 -2.94 -0.34 0.00 -1.38 0.00 0.00 54.79 50.12 1pbj n ASP 10 Cb 0.54 -1.66 -0.06 0.00 -1.04 0.00 0.00 41.12 38.90 1pbj n ASP 10 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1pbj s VAL 11 N 3.01 4.87 0.13 5.18 -7.23 -1.26 -5.06 120.40 120.04 1pbj s VAL 11 Ca 0.49 0.69 -0.27 0.00 -1.81 0.00 0.00 61.98 61.08 1pbj s VAL 11 Cb 0.05 -3.67 -0.07 0.00 0.56 0.00 0.00 36.38 33.25 1pbj s VAL 11 CO 0.02 0.07 0.82 -1.81 -0.31 0.00 0.00 175.10 173.89 1pbj s ASP 12 N -2.05 7.39 0.24 4.85 1.01 -1.26 -4.98 116.67 121.88 1pbj s ASP 12 Ca 0.44 1.66 0.10 0.00 0.71 0.00 0.00 52.55 55.45 1pbj s ASP 12 Cb -0.13 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 1pbj s ASP 12 CO 0.20 0.11 -0.17 0.42 0.21 0.00 0.00 175.17 175.93 1pbj s THR 13 N -0.68 2.11 -0.05 -1.27 -4.23 -1.26 -0.59 115.64 109.68 1pbj s THR 13 Ca 0.39 -2.30 -0.07 0.00 -1.18 0.00 0.00 61.69 58.53 1pbj s THR 13 Cb -0.23 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.46 1pbj s THR 13 CO 0.27 -0.49 0.17 -0.51 -0.54 0.00 0.00 174.62 173.52 1pbj s ILE 14 N -2.70 0.02 0.53 2.99 2.07 -0.33 -4.83 121.20 118.95 1pbj s ILE 14 Ca 0.26 -0.19 -0.20 0.00 -1.41 0.00 0.00 60.65 59.11 1pbj s ILE 14 Cb -0.03 -0.30 -0.06 0.00 0.13 0.00 0.00 42.46 42.19 1pbj s ILE 14 CO 0.11 -0.10 1.13 -0.62 -1.91 0.00 0.00 174.94 173.54 1pbj s ASP 15 N -0.31 5.80 0.65 4.50 2.15 -1.26 -0.78 116.67 127.43 1pbj s ASP 15 Ca -0.04 2.18 0.42 0.00 0.43 0.00 0.00 52.55 55.54 1pbj s ASP 15 Cb -0.03 -2.58 2.33 0.00 -0.30 0.00 0.00 42.92 42.34 1pbj s ASP 15 CO 0.01 -1.16 2.35 -0.29 -0.17 0.00 0.00 175.17 175.90 1pbj h ILE 16 N 1.29 0.08 -0.01 4.11 2.10 -1.52 -0.98 117.51 122.59 1pbj h ILE 16 Ca -0.50 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.42 1pbj h ILE 16 Cb 1.26 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 1pbj h ILE 16 CO 0.57 0.00 -0.08 0.35 -1.08 0.00 0.00 178.15 177.91 1pbj n THR 17 N -3.20 0.00 -1.16 2.19 -2.24 -1.26 -3.93 114.28 104.68 1pbj n THR 17 Ca -0.03 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.31 1pbj n THR 17 Cb 0.08 0.21 0.15 0.00 -2.10 0.00 0.00 70.33 68.67 1pbj n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pbj s ALA 18 N -2.22 1.29 0.44 6.98 0.00 -0.37 -4.82 121.76 123.06 1pbj s ALA 18 Ca 0.34 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.21 1pbj s ALA 18 Cb 0.21 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1pbj s ALA 18 CO 0.41 -2.57 0.13 -1.54 0.00 0.00 0.00 175.76 172.20 1pbj s SER 19 N -3.39 4.26 0.54 0.00 1.04 -1.26 -0.59 113.70 114.30 1pbj s SER 19 Ca 0.64 -1.26 0.32 0.00 0.48 0.00 0.00 55.95 56.13 1pbj s SER 19 Cb -0.18 -0.21 1.49 0.00 0.10 0.00 0.00 66.02 67.22 1pbj s SER 19 CO 0.57 -0.63 2.05 -0.07 0.98 0.00 0.00 173.24 176.15 1pbj h LEU 20 N 1.43 0.00 -0.82 2.42 3.38 -0.75 -1.38 115.31 119.60 1pbj h LEU 20 Ca -0.43 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 1pbj h LEU 20 Cb 1.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1pbj h LEU 20 CO 0.72 0.08 -0.11 -0.08 0.09 0.00 0.00 178.44 179.14 1pbj h GLU 21 N 0.00 0.77 -0.48 1.13 4.81 -1.73 -0.23 114.58 118.86 1pbj h GLU 21 Ca -0.00 -0.25 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 1pbj h GLU 21 Cb 0.41 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1pbj h GLU 21 CO 0.01 0.85 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.64 1pbj h ASP 22 N 0.70 0.87 -0.68 1.04 3.32 -1.58 -0.94 116.42 119.14 1pbj h ASP 22 Ca 0.12 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 1pbj h ASP 22 Cb 0.59 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1pbj h ASP 22 CO 0.04 1.00 0.29 0.58 -1.72 0.00 0.00 179.24 179.43 1pbj h VAL 23 N 0.73 1.24 -0.28 -1.35 2.07 -1.16 -0.31 116.25 117.19 1pbj h VAL 23 Ca 0.13 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1pbj h VAL 23 Cb 0.59 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1pbj h VAL 23 CO 0.04 0.29 0.16 0.25 0.02 0.00 0.00 177.57 178.32 1pbj h LEU 24 N 0.97 0.34 -0.81 2.57 5.85 -0.88 -2.21 115.31 121.14 1pbj h LEU 24 Ca 0.23 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1pbj h LEU 24 Cb 0.18 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1pbj h LEU 24 CO -0.02 0.32 0.27 -0.09 -0.34 0.00 0.00 178.44 178.58 1pbj h ARG 25 N 0.34 1.15 -0.44 1.25 2.43 -0.85 -0.44 114.38 117.81 1pbj h ARG 25 Ca 0.10 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1pbj h ARG 25 Cb 0.05 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1pbj h ARG 25 CO -0.02 0.95 0.21 -0.91 -1.51 0.00 0.00 179.97 178.70 1pbj h ASN 26 N 1.11 0.54 0.02 -3.80 2.35 -0.87 0.82 115.58 115.76 1pbj h ASN 26 Ca 0.25 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1pbj h ASN 26 Cb 0.26 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1pbj h ASN 26 CO -0.01 0.47 -0.01 0.22 -1.65 0.00 0.00 177.43 176.44 1pbj h TYR 27 N 0.61 -0.03 -0.52 1.19 3.20 -0.74 -1.75 116.97 118.93 1pbj h TYR 27 Ca 0.15 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 1pbj h TYR 27 Cb 0.07 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1pbj h TYR 27 CO 0.00 0.54 -0.12 0.28 -1.64 0.00 0.00 178.16 177.23 1pbj h VAL 28 N -0.62 1.27 0.06 1.81 2.07 -0.90 -0.27 116.25 119.67 1pbj h VAL 28 Ca -0.00 -1.26 -0.30 0.00 0.82 0.00 0.00 66.70 65.95 1pbj h VAL 28 Cb 0.58 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1pbj h VAL 28 CO 0.01 0.44 -1.63 -0.33 0.02 0.00 0.00 177.57 176.08 1pbj h GLU 29 N 0.87 0.13 0.00 1.57 5.08 -0.97 -3.41 114.58 117.85 1pbj h GLU 29 Ca 0.13 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1pbj h GLU 29 Cb 0.67 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1pbj h GLU 29 CO 0.05 0.88 0.00 0.09 -1.00 0.00 0.00 179.01 179.03 1pbj n ASN 30 N -3.29 1.26 -1.93 1.42 5.03 -0.70 -5.01 115.26 112.04 1pbj n ASN 30 Ca -0.18 -1.44 -0.18 0.00 0.87 0.00 0.00 54.58 53.66 1pbj n ASN 30 Cb 1.04 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.78 1pbj n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pbj n ALA 31 N -0.22 -0.49 -2.65 5.41 0.00 -0.11 -4.94 120.51 117.51 1pbj n ALA 31 Ca 0.00 0.17 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 1pbj n ALA 31 Cb 0.18 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 1pbj n ALA 31 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pbj s LYS 32 N -4.66 4.20 0.04 0.00 1.02 -0.96 -4.93 119.74 114.45 1pbj s LYS 32 Ca 0.00 0.66 0.25 0.00 0.02 0.00 0.00 55.97 56.90 1pbj s LYS 32 Cb 0.00 -3.59 0.45 0.00 -0.52 0.00 0.00 37.83 34.17 1pbj s LYS 32 CO 0.00 -0.29 1.37 0.41 -0.92 0.00 0.00 175.35 175.93 1pbj n GLY 33 N 3.81 -1.31 3.68 -3.33 0.00 -1.26 -3.10 105.19 103.68 1pbj n GLY 33 Ca -0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 1pbj n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pbj s SER 34 N -3.46 -0.27 -0.04 1.61 1.04 -1.26 -1.15 113.70 110.17 1pbj s SER 34 Ca 0.09 -0.31 -0.10 0.00 0.48 0.00 0.00 55.95 56.12 1pbj s SER 34 Cb 0.16 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.82 1pbj s SER 34 CO 0.71 -0.92 0.23 -0.44 0.98 0.00 0.00 173.24 173.79 1pbj s SER 35 N -2.82 -0.15 -0.11 7.02 0.01 -0.45 -4.83 113.70 112.38 1pbj s SER 35 Ca 0.09 0.16 -0.26 0.00 1.31 0.00 0.00 55.95 57.26 1pbj s SER 35 Cb -0.02 0.36 -0.02 0.00 0.21 0.00 0.00 66.02 66.55 1pbj s SER 35 CO -0.01 -0.27 0.85 -0.69 0.41 0.00 0.00 173.24 173.53 1pbj s VAL 36 N -0.72 4.90 0.13 3.43 1.01 0.24 -1.40 120.40 127.99 1pbj s VAL 36 Ca -0.08 1.71 -0.30 0.00 0.00 0.00 0.00 61.98 63.31 1pbj s VAL 36 Cb -0.04 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 1pbj s VAL 36 CO 0.02 0.09 0.97 -0.69 0.00 0.00 0.00 175.10 175.49 1pbj s VAL 37 N 1.68 4.41 -0.06 2.92 1.01 0.55 -1.19 120.40 129.73 1pbj s VAL 37 Ca 0.41 2.03 0.06 0.00 0.00 0.00 0.00 61.98 64.48 1pbj s VAL 37 Cb -0.18 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 1pbj s VAL 37 CO 0.17 0.33 -0.23 -0.69 0.00 0.00 0.00 175.10 174.67 1pbj s VAL 38 N -0.11 1.88 -0.24 2.92 1.01 0.04 -0.48 120.40 125.43 1pbj s VAL 38 Ca 0.47 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1pbj s VAL 38 Cb -0.24 -1.59 0.05 0.00 0.00 0.00 0.00 36.38 34.60 1pbj s VAL 38 CO 0.30 0.52 -0.10 -0.75 0.00 0.00 0.00 175.10 175.08 1pbj s LYS 39 N -0.08 2.10 -1.33 2.72 2.47 0.10 -1.19 119.74 124.52 1pbj s LYS 39 Ca -0.04 -1.12 -0.08 0.00 -1.56 0.00 0.00 55.97 53.17 1pbj s LYS 39 Cb -0.13 -2.70 0.00 0.00 -1.46 0.00 0.00 37.83 33.54 1pbj s LYS 39 CO 0.03 -0.52 0.52 0.39 0.16 0.00 0.00 175.35 175.93 1pbj n GLU 40 N 4.56 -2.50 -0.93 4.03 -0.58 -1.26 -1.36 120.64 122.59 1pbj n GLU 40 Ca -0.14 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1pbj n GLU 40 Cb 0.44 -4.27 0.00 0.00 -0.57 0.00 0.00 31.44 27.04 1pbj n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pbj n GLY 41 N -1.93 0.80 3.43 0.62 0.00 -1.26 -5.01 105.19 101.83 1pbj n GLY 41 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1pbj n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pbj s VAL 42 N -3.36 3.40 -0.05 1.61 1.01 -0.47 -5.08 120.40 117.46 1pbj s VAL 42 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1pbj s VAL 42 Cb 0.00 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1pbj s VAL 42 CO 0.00 0.51 1.21 -0.13 0.00 0.00 0.00 175.10 176.69 1pbj s ARG 43 N 0.32 4.35 0.00 2.72 0.52 -1.26 -0.72 118.95 124.88 1pbj s ARG 43 Ca -0.08 1.69 0.00 0.00 -0.52 0.00 0.00 55.73 56.82 1pbj s ARG 43 Cb -0.15 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.76 1pbj s ARG 43 CO 0.05 -0.46 0.27 1.33 0.02 0.00 0.00 175.30 176.50 1pbj n VAL 44 N 4.63 0.00 -2.45 3.52 0.24 0.37 -4.69 118.33 119.95 1pbj n VAL 44 Ca 0.11 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1pbj n VAL 44 Cb 0.46 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 1pbj n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pbj n GLY 45 N 0.28 -1.45 3.11 7.63 0.00 -1.23 -4.74 105.19 108.80 1pbj n GLY 45 Ca 0.00 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 1pbj n GLY 45 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pbj s ILE 46 N -2.72 1.01 0.02 -0.61 2.07 0.09 -0.33 121.20 120.73 1pbj s ILE 46 Ca 0.00 -0.84 0.05 0.00 -1.41 0.00 0.00 60.65 58.46 1pbj s ILE 46 Cb 0.00 -0.90 -0.02 0.00 0.13 0.00 0.00 42.46 41.67 1pbj s ILE 46 CO 0.00 0.07 -0.16 0.54 -1.91 0.00 0.00 174.94 173.48 1pbj s VAL 47 N -0.69 1.24 0.25 4.00 0.11 -0.49 -1.44 120.40 123.38 1pbj s VAL 47 Ca 0.02 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 1pbj s VAL 47 Cb -0.07 -1.08 -0.05 0.00 -1.53 0.00 0.00 36.38 33.66 1pbj s VAL 47 CO 0.01 0.17 0.12 0.42 -3.33 0.00 0.00 175.10 172.49 1pbj s THR 48 N -0.65 0.34 0.41 5.04 -4.23 -1.26 -1.34 115.64 113.96 1pbj s THR 48 Ca 0.04 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 58.90 1pbj s THR 48 Cb -0.07 -2.57 0.38 0.00 1.34 0.00 0.00 72.50 71.57 1pbj s THR 48 CO 0.01 0.00 2.15 0.71 -0.54 0.00 0.00 174.62 176.95 1pbj h THR 49 N 2.42 0.21 -0.41 3.99 1.35 -1.48 -1.32 112.91 117.67 1pbj h THR 49 Ca -0.36 -0.34 -0.10 0.00 -0.55 0.00 0.00 66.41 65.05 1pbj h THR 49 Cb 1.25 1.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 1pbj h THR 49 CO 0.56 0.04 -0.17 -0.25 -0.25 0.00 0.00 175.52 175.46 1pbj h TRP 50 N 0.00 0.86 -0.59 4.73 2.91 -1.96 -0.66 115.95 121.24 1pbj h TRP 50 Ca -0.00 -0.17 -0.03 0.00 1.13 0.00 0.00 58.89 59.81 1pbj h TRP 50 Cb 0.27 -0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 28.68 1pbj h TRP 50 CO 0.00 0.88 0.22 -0.44 -1.03 0.00 0.00 178.44 178.07 1pbj h ASP 51 N 0.68 0.78 -0.29 2.65 3.32 -1.64 -0.25 116.42 121.67 1pbj h ASP 51 Ca 0.11 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1pbj h ASP 51 Cb 0.66 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1pbj h ASP 51 CO 0.05 0.71 0.10 0.58 -1.72 0.00 0.00 179.24 178.95 1pbj h VAL 52 N 0.84 1.20 -0.94 -1.35 2.07 -1.15 -2.00 116.25 114.92 1pbj h VAL 52 Ca 0.20 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1pbj h VAL 52 Cb 0.18 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1pbj h VAL 52 CO -0.02 0.21 0.62 0.25 0.02 0.00 0.00 177.57 178.65 1pbj h LEU 53 N 0.31 1.06 -0.88 2.57 5.85 -0.61 -0.85 115.31 122.76 1pbj h LEU 53 Ca 0.09 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1pbj h LEU 53 Cb 0.23 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1pbj h LEU 53 CO -0.00 0.75 0.49 -0.33 -0.34 0.00 0.00 178.44 179.00 1pbj h GLU 54 N 1.24 1.22 -0.58 1.25 5.08 -0.86 -0.33 114.58 121.61 1pbj h GLU 54 Ca 0.36 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1pbj h GLU 54 Cb -0.09 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.90 1pbj h GLU 54 CO -0.09 0.89 -0.05 0.00 -1.00 0.00 0.00 179.01 178.76 1pbj h ALA 55 N 1.26 0.80 -0.62 3.43 0.00 -0.66 -2.11 119.26 121.37 1pbj h ALA 55 Ca 0.31 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1pbj h ALA 55 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1pbj h ALA 55 CO -0.05 0.67 0.32 0.82 0.00 0.00 0.00 179.25 181.01 1pbj h ILE 56 N 0.95 1.21 -0.39 0.00 2.04 -0.74 -0.21 117.51 120.37 1pbj h ILE 56 Ca 0.16 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1pbj h ILE 56 Cb 0.62 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1pbj h ILE 56 CO 0.04 0.23 0.17 0.00 0.00 0.00 0.00 178.15 178.60 1pbj h ALA 57 N 1.14 1.57 -0.00 1.87 0.00 -0.87 -1.47 119.26 121.51 1pbj h ALA 57 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1pbj h ALA 57 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1pbj h ALA 57 CO -0.03 0.34 -0.22 0.39 0.00 0.00 0.00 179.25 179.73 1pbj n GLU 58 N -4.40 0.18 -1.32 0.00 -0.58 -0.81 -4.94 120.64 108.78 1pbj n GLU 58 Ca 0.03 -0.07 -0.03 0.00 -0.42 0.00 0.00 57.16 56.67 1pbj n GLU 58 Cb 0.13 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 1pbj n GLU 58 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pbj n GLY 59 N 1.44 0.55 3.78 0.62 0.00 -0.33 -5.02 105.19 106.23 1pbj n GLY 59 Ca 0.08 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1pbj n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pbj s ASP 60 N -2.94 5.48 -0.42 1.61 1.01 -0.24 -4.97 116.67 116.20 1pbj s ASP 60 Ca 0.00 1.96 -0.27 0.00 0.71 0.00 0.00 52.55 54.95 1pbj s ASP 60 Cb 0.00 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.40 1pbj s ASP 60 CO 0.00 -1.38 0.98 -0.62 0.21 0.00 0.00 175.17 174.37 1pbj s ASP 61 N -2.50 6.64 0.50 0.27 -1.08 -1.26 -4.75 116.67 114.49 1pbj s ASP 61 Ca 0.67 0.46 0.18 0.00 -0.52 0.00 0.00 52.55 53.33 1pbj s ASP 61 Cb -0.19 -2.48 1.24 0.00 -1.46 0.00 0.00 42.92 40.03 1pbj s ASP 61 CO 0.37 -1.00 2.07 -0.07 0.52 0.00 0.00 175.17 177.06 1pbj h LEU 62 N 10.46 0.09 -1.29 -1.34 3.38 -1.93 -0.60 115.31 124.07 1pbj h LEU 62 Ca -0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1pbj h LEU 62 Cb 1.07 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1pbj h LEU 62 CO 1.03 0.06 -0.23 0.00 0.09 0.00 0.00 178.44 179.39 1pbj h ALA 63 N 1.85 1.09 0.00 1.53 0.00 -1.92 -2.44 119.26 119.38 1pbj h ALA 63 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pbj h ALA 63 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pbj h ALA 63 CO -0.01 0.28 -0.67 0.39 0.00 0.00 0.00 179.25 179.24 1pbj n GLU 64 N -3.49 0.19 -3.15 0.00 -0.58 -0.25 -4.75 120.64 108.61 1pbj n GLU 64 Ca -0.00 0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 1pbj n GLU 64 Cb 0.39 -1.60 -0.07 0.00 -0.57 0.00 0.00 31.44 29.59 1pbj n GLU 64 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1pbj s VAL 65 N -3.12 4.90 0.40 2.62 1.01 -1.12 -5.03 120.40 120.06 1pbj s VAL 65 Ca 0.07 0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 1pbj s VAL 65 Cb 0.15 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1pbj s VAL 65 CO 0.73 -0.42 0.85 -0.54 0.00 0.00 0.00 175.10 175.71 1pbj s LYS 66 N 2.65 4.05 0.54 2.72 -0.14 -1.26 -1.09 119.74 127.21 1pbj s LYS 66 Ca 0.22 0.84 0.22 0.00 -1.36 0.00 0.00 55.97 55.88 1pbj s LYS 66 Cb -0.15 -2.30 1.46 0.00 -1.68 0.00 0.00 37.83 35.17 1pbj s LYS 66 CO 0.16 0.01 2.17 -0.39 -0.76 0.00 0.00 175.35 176.55 1pbj h VAL 67 N 1.70 0.81 0.00 3.17 -1.51 -1.02 -0.60 116.25 118.80 1pbj h VAL 67 Ca -0.48 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1pbj h VAL 67 Cb 1.18 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 1pbj h VAL 67 CO 0.63 0.02 0.00 4.11 -1.23 0.00 0.00 177.57 181.10 1pbj h TRP 68 N 0.00 0.00 0.00 5.19 5.08 -1.83 -2.52 115.95 121.86 1pbj h TRP 68 Ca -0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 1pbj h TRP 68 Cb 0.05 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.20 1pbj h TRP 68 CO 0.00 0.00 -0.11 0.93 -1.28 0.00 0.00 178.44 177.98 1pbj h GLU 69 N 0.00 0.00 -2.32 0.12 5.08 -1.47 -3.49 114.58 112.50 1pbj h GLU 69 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1pbj h GLU 69 Cb 0.41 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.26 1pbj h GLU 69 CO 0.00 0.11 -0.77 1.33 -1.00 0.00 0.00 179.01 178.69 1pbj n VAL 70 N -3.19 1.04 -3.54 3.13 0.24 -0.95 -5.07 118.33 109.99 1pbj n VAL 70 Ca 0.02 -4.65 -0.14 0.00 -2.04 0.00 0.00 64.34 57.53 1pbj n VAL 70 Cb 0.44 -2.03 -0.05 0.00 -1.47 0.00 0.00 33.84 30.73 1pbj n VAL 70 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1pbj s GLU 72 N -1.69 0.84 0.24 7.34 2.02 -0.52 -4.94 118.70 122.00 1pbj s GLU 72 Ca 0.35 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.47 1pbj s GLU 72 Cb 0.11 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.74 1pbj s GLU 72 CO -0.09 -0.28 0.00 -2.13 0.02 0.00 0.00 175.26 172.79 1pbj n ARG 73 N 0.68 0.00 -0.23 1.61 0.63 -1.26 -0.73 116.66 117.36 1pbj n ARG 73 Ca -0.14 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.80 1pbj n ARG 73 Cb 0.58 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.63 1pbj n ARG 73 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1pbj h ASP 74 N 0.00 0.34 0.77 6.15 3.58 -1.98 -1.94 116.42 123.34 1pbj h ASP 74 Ca 0.00 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1pbj h ASP 74 Cb 0.00 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1pbj h ASP 74 CO 0.00 0.18 -0.11 0.18 -2.88 0.00 0.00 179.24 176.61 1pbj n LEU 75 N -4.94 0.15 -0.63 2.28 4.77 -1.26 -3.64 117.00 113.73 1pbj n LEU 75 Ca 0.11 0.32 0.08 0.00 -0.03 0.00 0.00 56.01 56.48 1pbj n LEU 75 Cb 0.30 -0.39 0.21 0.00 -2.33 0.00 0.00 43.42 41.21 1pbj n LEU 75 CO 0.23 0.03 0.65 1.33 -1.33 0.00 0.00 177.39 178.30 1pbj n VAL 76 N -1.41 2.18 -3.85 4.08 0.24 -0.75 -4.94 118.33 113.87 1pbj n VAL 76 Ca 0.08 -2.13 -0.33 0.00 -2.04 0.00 0.00 64.34 59.93 1pbj n VAL 76 Cb 0.32 -0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 32.39 1pbj n VAL 76 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1pbj s THR 77 N -2.90 5.36 0.04 3.34 2.01 -1.06 -0.15 115.64 122.28 1pbj s THR 77 Ca 0.39 -0.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.12 1pbj s THR 77 Cb 0.33 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 69.26 1pbj s THR 77 CO 0.06 0.24 0.25 -0.51 -0.69 0.00 0.00 174.62 173.96 1pbj s ILE 78 N -1.42 0.09 0.36 1.82 2.07 -0.01 -4.90 121.20 119.21 1pbj s ILE 78 Ca 0.32 -0.78 -0.18 0.00 -1.41 0.00 0.00 60.65 58.59 1pbj s ILE 78 Cb -0.13 -0.91 -0.10 0.00 0.13 0.00 0.00 42.46 41.45 1pbj s ILE 78 CO 0.22 -0.43 0.83 -0.55 -1.91 0.00 0.00 174.94 173.10 1pbj s SER 79 N -2.05 6.89 0.29 4.50 0.15 -1.26 -1.23 113.70 120.99 1pbj s SER 79 Ca -0.05 1.47 0.24 0.00 0.70 0.00 0.00 55.95 58.31 1pbj s SER 79 Cb -0.01 -2.45 1.06 0.00 -1.71 0.00 0.00 66.02 62.91 1pbj s SER 79 CO -0.03 -0.24 1.71 -0.81 1.20 0.00 0.00 173.24 175.07 1pbj n PRO 80 N -0.35 0.19 0.16 5.44 -0.04 -1.26 -2.23 135.00 136.91 1pbj n PRO 80 Ca 0.04 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 1pbj n PRO 80 Cb 0.53 -1.92 0.30 0.00 -0.04 0.00 0.00 33.50 32.38 1pbj n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pbj h ARG 81 N 0.00 0.00 -7.10 0.54 2.47 -1.93 -1.53 114.38 106.82 1pbj h ARG 81 Ca 0.00 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.18 1pbj h ARG 81 Cb 0.27 0.00 0.13 0.00 -1.65 0.00 0.00 29.97 28.72 1pbj h ARG 81 CO 0.00 0.00 0.50 0.00 0.56 0.00 0.00 179.97 181.03 1pbj s ALA 82 N -3.16 2.47 0.71 0.04 0.00 -0.95 -4.75 121.76 116.12 1pbj s ALA 82 Ca 0.09 1.11 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 1pbj s ALA 82 Cb 0.09 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1pbj s ALA 82 CO 0.63 -1.37 1.08 0.95 0.00 0.00 0.00 175.76 177.04 1pbj s THR 83 N -1.49 3.76 0.29 0.00 -4.23 -1.26 -0.54 115.64 112.17 1pbj s THR 83 Ca 0.80 0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 61.85 1pbj s THR 83 Cb -0.34 -3.46 0.26 0.00 1.34 0.00 0.00 72.50 70.31 1pbj s THR 83 CO 0.36 -0.75 1.96 0.40 -0.54 0.00 0.00 174.62 176.05 1pbj h ILE 84 N -0.70 1.22 -0.68 2.99 1.08 -1.95 -0.75 117.51 118.73 1pbj h ILE 84 Ca -0.45 -0.41 -0.04 0.00 -0.39 0.00 0.00 64.86 63.58 1pbj h ILE 84 Cb 1.23 -0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1pbj h ILE 84 CO 0.61 0.22 0.27 0.50 -0.69 0.00 0.00 178.15 179.06 1pbj h LYS 85 N 1.18 1.01 -0.59 2.37 3.64 -1.99 -0.07 116.57 122.13 1pbj h LYS 85 Ca 0.32 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1pbj h LYS 85 Cb -0.13 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.50 1pbj h LYS 85 CO -0.07 0.84 0.17 0.93 -2.27 0.00 0.00 179.45 179.05 1pbj h GLU 86 N 0.96 0.90 -0.41 1.90 5.08 -1.69 0.97 114.58 122.29 1pbj h GLU 86 Ca 0.23 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1pbj h GLU 86 Cb 0.21 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1pbj h GLU 86 CO -0.02 0.79 0.09 0.00 -1.00 0.00 0.00 179.01 178.87 1pbj h ALA 87 N 1.31 0.55 -0.82 3.43 0.00 -0.57 -1.18 119.26 121.97 1pbj h ALA 87 Ca 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pbj h ALA 87 Cb 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1pbj h ALA 87 CO -0.01 0.24 0.45 0.00 0.00 0.00 0.00 179.25 179.93 1pbj h ALA 88 N 0.95 1.05 -0.80 0.00 0.00 -0.54 -2.54 119.26 117.37 1pbj h ALA 88 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pbj h ALA 88 Cb 0.33 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1pbj h ALA 88 CO 0.00 0.56 0.44 0.93 0.00 0.00 0.00 179.25 181.19 1pbj h GLU 89 N 1.14 1.12 -1.60 0.00 5.08 -0.48 -0.39 114.58 119.46 1pbj h GLU 89 Ca 0.29 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1pbj h GLU 89 Cb 0.03 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1pbj h GLU 89 CO -0.05 0.82 0.00 1.17 -1.00 0.00 0.00 179.01 179.96 1pbj n LYS 90 N -4.42 0.41 0.00 2.33 4.81 -0.48 -0.92 118.16 119.90 1pbj n LYS 90 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1pbj n LYS 90 Cb 0.09 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 33.85 1pbj n LYS 90 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1pbj n VAL 92 N 0.81 0.00 -0.28 3.15 0.31 -0.16 -1.58 118.33 120.58 1pbj n VAL 92 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1pbj n VAL 92 Cb 0.20 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.28 1pbj n VAL 92 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1pbj h LYS 93 N 0.00 1.14 -0.26 5.55 3.64 -1.28 -2.77 116.57 122.58 1pbj h LYS 93 Ca 0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1pbj h LYS 93 Cb 0.00 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1pbj h LYS 93 CO 0.00 0.82 0.00 0.09 -2.27 0.00 0.00 179.45 178.09 1pbj n ASN 94 N -4.35 3.08 -3.95 4.20 3.02 -0.62 -4.98 115.26 111.66 1pbj n ASN 94 Ca 0.09 -1.95 -0.31 0.00 -0.03 0.00 0.00 54.58 52.38 1pbj n ASN 94 Cb 0.09 -0.16 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 1pbj n ASN 94 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1pbj n VAL 95 N 1.28 -3.43 -4.25 2.41 0.31 -1.05 -4.98 118.33 108.62 1pbj n VAL 95 Ca 0.18 -0.63 -0.20 0.00 -0.01 0.00 0.00 64.34 63.68 1pbj n VAL 95 Cb 0.57 -2.79 -0.12 0.00 -0.91 0.00 0.00 33.84 30.59 1pbj n VAL 95 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1pbj s VAL 96 N -3.84 1.44 -0.50 2.52 -7.23 -1.26 -5.04 120.40 106.49 1pbj s VAL 96 Ca 0.19 -1.62 0.23 0.00 -1.81 0.00 0.00 61.98 58.97 1pbj s VAL 96 Cb -0.08 -1.48 -0.00 0.00 0.56 0.00 0.00 36.38 35.37 1pbj s VAL 96 CO 0.91 -0.28 1.17 1.87 -0.31 0.00 0.00 175.10 178.45 1pbj n TRP 97 N 0.77 0.63 -4.01 2.82 -0.00 -1.26 -4.60 117.44 111.79 1pbj n TRP 97 Ca -0.17 0.18 -0.11 0.00 -0.00 0.00 0.00 57.50 57.40 1pbj n TRP 97 Cb 0.56 -0.71 -0.12 0.00 -0.00 0.00 0.00 31.31 31.04 1pbj n TRP 97 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 1pbj s ARG 98 N -3.24 0.36 0.01 5.87 0.52 -1.26 -0.72 118.95 120.49 1pbj s ARG 98 Ca 0.03 -0.55 0.06 0.00 -0.52 0.00 0.00 55.73 54.75 1pbj s ARG 98 Cb 0.12 -0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.48 1pbj s ARG 98 CO 0.76 0.01 -0.18 -0.51 0.02 0.00 0.00 175.30 175.39 1pbj s LEU 99 N -1.21 2.09 0.15 2.53 1.43 0.01 -4.97 118.68 118.71 1pbj s LEU 99 Ca -0.10 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 1pbj s LEU 99 Cb -0.08 -0.90 -0.07 0.00 0.03 0.00 0.00 46.19 45.17 1pbj s LEU 99 CO -0.00 0.18 0.94 -0.76 0.23 0.00 0.00 176.35 176.93 1pbj s LEU 100 N -0.72 4.55 -0.24 1.79 1.43 0.79 -0.98 118.68 125.30 1pbj s LEU 100 Ca 0.06 1.82 -0.09 0.00 -1.03 0.00 0.00 54.13 54.89 1pbj s LEU 100 Cb -0.08 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1pbj s LEU 100 CO 0.00 0.02 0.13 -0.69 0.23 0.00 0.00 176.35 176.04 1pbj s VAL 101 N -0.42 5.06 -0.06 -1.59 1.01 0.50 -0.83 120.40 124.07 1pbj s VAL 101 Ca 0.44 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.54 1pbj s VAL 101 Cb -0.24 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1pbj s VAL 101 CO 0.30 0.35 -0.20 -0.70 0.00 0.00 0.00 175.10 174.85 1pbj s GLU 102 N 1.11 2.59 -0.06 2.72 2.12 -0.36 -0.22 118.70 126.60 1pbj s GLU 102 Ca 0.06 -0.81 -0.04 0.00 0.36 0.00 0.00 54.97 54.53 1pbj s GLU 102 Cb -0.14 -2.28 0.02 0.00 0.26 0.00 0.00 34.13 32.00 1pbj s GLU 102 CO 0.04 0.46 0.16 -2.00 -0.54 0.00 0.00 175.26 173.38 1pbj s GLU 103 N -0.33 0.15 -1.46 4.30 2.12 -0.23 -4.20 118.70 119.05 1pbj s GLU 103 Ca 0.02 0.28 -0.10 0.00 0.36 0.00 0.00 54.97 55.53 1pbj s GLU 103 Cb -0.13 -0.01 0.06 0.00 0.26 0.00 0.00 34.13 34.31 1pbj s GLU 103 CO 0.02 -0.08 0.94 -0.25 -0.54 0.00 0.00 175.26 175.36 1pbj n ASP 104 N 3.47 -4.15 0.00 -1.70 8.00 -1.26 -1.79 116.55 119.12 1pbj n ASP 104 Ca -0.18 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1pbj n ASP 104 Cb 0.56 -4.05 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 1pbj n ASP 104 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1pbj n ASP 105 N -2.90 -0.93 -4.43 -2.24 8.00 -1.26 -4.99 116.55 107.80 1pbj n ASP 105 Ca -0.04 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.18 1pbj n ASP 105 Cb 0.56 -1.62 -0.12 0.00 -0.02 0.00 0.00 41.12 39.92 1pbj n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1pbj s GLU 106 N -0.70 1.54 -0.26 -1.24 2.02 -0.74 -5.09 118.70 114.23 1pbj s GLU 106 Ca 0.00 -1.35 -0.29 0.00 0.02 0.00 0.00 54.97 53.35 1pbj s GLU 106 Cb 0.00 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 32.29 1pbj s GLU 106 CO 0.00 0.44 1.16 0.42 0.02 0.00 0.00 175.26 177.30 1pbj s ILE 107 N -1.24 4.42 -1.21 -1.63 1.01 -1.26 -1.06 121.20 120.22 1pbj s ILE 107 Ca 0.17 1.67 0.14 0.00 0.00 0.00 0.00 60.65 62.63 1pbj s ILE 107 Cb -0.10 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 1pbj s ILE 107 CO 0.08 -0.33 0.75 2.30 0.00 0.00 0.00 174.94 177.75 1pbj n ILE 108 N 5.69 0.00 -2.16 2.92 -5.35 0.69 -4.96 119.36 116.19 1pbj n ILE 108 Ca 0.13 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1pbj n ILE 108 Cb 0.46 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.51 1pbj n ILE 108 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pbj n GLY 109 N 1.06 -1.34 2.92 3.28 0.00 -1.18 -4.57 105.19 105.37 1pbj n GLY 109 Ca 0.05 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 1pbj n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pbj s VAL 110 N -2.67 0.22 -0.04 1.61 1.01 -0.26 -0.37 120.40 119.89 1pbj s VAL 110 Ca 0.00 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1pbj s VAL 110 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 1pbj s VAL 110 CO 0.00 0.02 -0.25 -0.51 0.00 0.00 0.00 175.10 174.37 1pbj s ILE 111 N -0.17 1.99 0.37 2.22 2.07 -0.15 -0.73 121.20 126.80 1pbj s ILE 111 Ca -0.00 -1.05 0.08 0.00 -1.41 0.00 0.00 60.65 58.28 1pbj s ILE 111 Cb -0.02 -1.67 -0.07 0.00 0.13 0.00 0.00 42.46 40.83 1pbj s ILE 111 CO -0.00 0.56 -0.05 -0.94 -1.91 0.00 0.00 174.94 172.60 1pbj s SER 112 N -0.29 3.74 0.40 4.50 1.04 -1.26 -0.81 113.70 121.02 1pbj s SER 112 Ca 0.01 -1.28 0.09 0.00 0.48 0.00 0.00 55.95 55.26 1pbj s SER 112 Cb -0.12 -0.36 0.84 0.00 0.10 0.00 0.00 66.02 66.48 1pbj s SER 112 CO 0.02 -0.32 1.97 0.00 0.98 0.00 0.00 173.24 175.89 1pbj h ALA 113 N 1.92 1.59 -0.68 5.32 0.00 -1.28 -2.08 119.26 124.06 1pbj h ALA 113 Ca -0.43 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.37 1pbj h ALA 113 Cb 1.25 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1pbj h ALA 113 CO 0.75 0.30 0.42 1.15 0.00 0.00 0.00 179.25 181.86 1pbj h THR 114 N 0.28 1.07 -0.59 0.00 2.02 -1.95 0.10 112.91 113.84 1pbj h THR 114 Ca 0.06 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1pbj h THR 114 Cb 0.24 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1pbj h THR 114 CO 0.01 0.15 0.28 0.44 0.37 0.00 0.00 175.52 176.77 1pbj h ASP 115 N 0.81 0.78 -0.34 4.18 3.32 -1.75 -1.12 116.42 122.30 1pbj h ASP 115 Ca 0.28 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1pbj h ASP 115 Cb 0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1pbj h ASP 115 CO -0.12 0.69 -0.06 0.40 -1.72 0.00 0.00 179.24 178.43 1pbj h ILE 116 N 0.81 1.27 -0.66 0.35 2.04 -1.05 -1.29 117.51 118.99 1pbj h ILE 116 Ca 0.20 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 1pbj h ILE 116 Cb 0.12 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1pbj h ILE 116 CO -0.03 0.36 0.23 -0.07 0.00 0.00 0.00 178.15 178.64 1pbj h LEU 117 N 0.42 0.94 -0.77 1.44 4.07 -0.61 -1.04 115.31 119.76 1pbj h LEU 117 Ca 0.09 -0.19 -0.05 0.00 0.08 0.00 0.00 57.88 57.80 1pbj h LEU 117 Cb 0.54 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 1pbj h LEU 117 CO 0.03 0.88 0.27 0.03 -1.08 0.00 0.00 178.44 178.57 1pbj h ARG 118 N 0.95 1.18 -0.24 1.13 3.08 -1.11 -2.66 114.38 116.71 1pbj h ARG 118 Ca 0.22 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1pbj h ARG 118 Cb 0.26 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1pbj h ARG 118 CO -0.01 0.98 -0.21 0.00 -1.07 0.00 0.00 179.97 179.65 1pbj h ALA 119 N 1.14 1.19 0.00 0.04 0.00 -0.84 -3.51 119.26 117.28 1pbj h ALA 119 Ca 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pbj h ALA 119 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pbj h ALA 119 CO -0.01 0.52 0.00 1.17 0.00 0.00 0.00 179.25 180.92