#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpu s LEU 3 N 0.00 4.42 -0.17 -4.42 1.43 -1.26 -1.27 118.68 117.41 1wpu s LEU 3 Ca 0.00 2.15 -0.29 0.00 -1.03 0.00 0.00 54.13 54.95 1wpu s LEU 3 Cb 0.00 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.62 1wpu s LEU 3 CO 0.00 -0.42 1.05 -2.28 0.23 0.00 0.00 176.35 174.93 1wpu s HIS 4 N 0.46 3.37 0.36 0.29 5.65 0.55 -4.77 115.29 121.19 1wpu s HIS 4 Ca 0.56 1.48 0.14 0.00 0.25 0.00 0.00 55.06 57.48 1wpu s HIS 4 Cb -0.32 -3.26 0.98 0.00 -1.18 0.00 0.00 32.58 28.81 1wpu s HIS 4 CO 0.33 -0.50 1.77 1.57 -0.65 0.00 0.00 174.74 177.25 1wpu h LYS 5 N 7.36 0.49 -0.03 2.88 -0.00 -1.94 0.53 116.57 125.86 1wpu h LYS 5 Ca -0.25 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 1wpu h LYS 5 Cb 1.10 -0.11 0.00 0.00 -0.00 0.00 0.00 32.23 33.22 1wpu h LYS 5 CO 0.92 0.33 0.00 0.39 -0.00 0.00 0.00 179.45 181.09 1wpu n GLU 6 N -4.71 1.46 -1.55 0.07 1.02 -1.26 -4.05 120.64 111.62 1wpu n GLU 6 Ca 0.25 -0.67 -0.01 0.00 -0.02 0.00 0.00 57.16 56.71 1wpu n GLU 6 Cb 0.78 -1.46 0.08 0.00 -0.02 0.00 0.00 31.44 30.82 1wpu n GLU 6 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wpu n ARG 7 N -0.17 1.39 -2.20 3.49 1.74 0.17 -5.01 116.66 116.07 1wpu n ARG 7 Ca 0.20 -3.03 -0.32 0.00 -0.77 0.00 0.00 57.85 53.93 1wpu n ARG 7 Cb 0.27 -1.16 -0.04 0.00 -1.02 0.00 0.00 32.46 30.51 1wpu n ARG 7 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wpu s ARG 8 N -2.28 2.85 0.30 5.56 0.52 -1.17 -4.20 118.95 120.53 1wpu s ARG 8 Ca 0.37 -0.43 0.06 0.00 -0.52 0.00 0.00 55.73 55.21 1wpu s ARG 8 Cb 0.37 -5.05 0.77 0.00 0.52 0.00 0.00 34.95 31.56 1wpu s ARG 8 CO -0.08 -2.98 1.74 0.97 0.02 0.00 0.00 175.30 174.97 1wpu h ILE 9 N 7.07 0.59 0.45 1.52 2.10 -1.91 -0.51 117.51 126.82 1wpu h ILE 9 Ca 0.08 -0.20 -0.02 0.00 1.08 0.00 0.00 64.86 65.80 1wpu h ILE 9 Cb 1.02 -0.05 0.00 0.00 -1.09 0.00 0.00 36.82 36.70 1wpu h ILE 9 CO 1.27 0.11 -0.22 1.23 -1.08 0.00 0.00 178.15 179.46 1wpu h GLY 10 N 0.59 -0.63 0.79 8.18 0.00 -1.98 -1.63 103.07 108.39 1wpu h GLY 10 Ca 0.59 0.23 0.05 0.00 0.00 0.00 0.00 47.33 48.20 1wpu h GLY 10 CO -0.45 -0.23 0.61 -0.09 0.00 0.00 0.00 176.54 176.38 1wpu h ARG 11 N -0.86 1.11 -0.58 4.80 2.43 -1.88 -2.09 114.38 117.31 1wpu h ARG 11 Ca -0.06 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 1wpu h ARG 11 Cb 0.57 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1wpu h ARG 11 CO 0.10 0.73 0.05 -0.07 -1.51 0.00 0.00 179.97 179.28 1wpu h LEU 12 N 1.14 0.95 -0.85 3.80 3.38 -1.10 -1.44 115.31 121.19 1wpu h LEU 12 Ca 0.40 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1wpu h LEU 12 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1wpu h LEU 12 CO -0.15 0.99 0.05 0.77 0.09 0.00 0.00 178.44 180.19 1wpu h SER 13 N 0.87 0.86 -0.25 -0.43 4.64 -0.86 -2.10 113.55 116.28 1wpu h SER 13 Ca 0.17 -0.20 -0.13 0.00 -0.47 0.00 0.00 61.79 61.16 1wpu h SER 13 Cb 0.47 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1wpu h SER 13 CO 0.02 0.90 -0.35 0.58 -0.87 0.00 0.00 176.83 177.10 1wpu h VAL 14 N 0.85 1.31 -0.17 0.95 2.07 -1.23 -1.83 116.25 118.19 1wpu h VAL 14 Ca 0.17 -1.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 1wpu h VAL 14 Cb 0.43 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1wpu h VAL 14 CO 0.02 0.49 -0.13 -0.07 0.02 0.00 0.00 177.57 177.90 1wpu h LEU 15 N 0.41 0.26 -0.12 2.57 3.38 -1.17 0.65 115.31 121.30 1wpu h LEU 15 Ca 0.03 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1wpu h LEU 15 Cb 0.94 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1wpu h LEU 15 CO 0.08 0.42 -0.14 0.25 0.09 0.00 0.00 178.44 179.14 1wpu h LEU 16 N 0.26 0.33 -0.91 1.67 5.85 -1.28 -3.20 115.31 118.03 1wpu h LEU 16 Ca 0.05 -0.50 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 1wpu h LEU 16 Cb 0.39 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1wpu h LEU 16 CO 0.02 0.77 -0.03 0.25 -0.34 0.00 0.00 178.44 179.11 1wpu h LEU 17 N -0.10 0.74 -1.57 2.25 5.85 -0.96 -3.00 115.31 118.52 1wpu h LEU 17 Ca 0.02 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1wpu h LEU 17 Cb 0.69 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1wpu h LEU 17 CO 0.03 0.83 0.00 0.18 -0.34 0.00 0.00 178.44 179.14 1wpu n LEU 18 N -4.21 2.14 -4.53 2.25 4.77 0.19 -4.85 117.00 112.77 1wpu n LEU 18 Ca 0.02 -1.08 -0.29 0.00 -0.03 0.00 0.00 56.01 54.63 1wpu n LEU 18 Cb 0.31 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 1wpu n LEU 18 CO 0.42 0.34 -0.46 0.20 -1.33 0.00 0.00 177.39 176.56 1wpu s ASN 19 N -0.33 4.10 -0.04 -1.43 0.01 -1.13 -5.02 114.94 111.09 1wpu s ASN 19 Ca 0.15 -0.51 0.11 0.00 -0.71 0.00 0.00 52.86 51.89 1wpu s ASN 19 Cb 0.11 -0.66 0.20 0.00 0.41 0.00 0.00 41.25 41.31 1wpu s ASN 19 CO 0.05 0.16 1.09 -0.62 -1.51 0.00 0.00 177.10 176.27 1wpu n GLU 20 N 0.63 0.36 -1.86 -0.60 1.02 -1.26 -5.03 120.64 113.91 1wpu n GLU 20 Ca -0.14 -1.73 -0.42 0.00 -0.02 0.00 0.00 57.16 54.85 1wpu n GLU 20 Cb 0.53 -0.65 -0.02 0.00 -0.02 0.00 0.00 31.44 31.28 1wpu n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wpu s ALA 21 N -0.79 3.78 0.40 0.62 0.00 -1.26 -4.87 121.76 119.64 1wpu s ALA 21 Ca 0.18 1.47 0.14 0.00 0.00 0.00 0.00 51.96 53.75 1wpu s ALA 21 Cb 0.18 -3.64 0.99 0.00 0.00 0.00 0.00 23.12 20.66 1wpu s ALA 21 CO -0.04 -0.86 1.86 0.93 0.00 0.00 0.00 175.76 177.65 1wpu h GLU 22 N 5.97 0.48 -1.46 0.00 5.08 -2.07 -3.34 114.58 119.24 1wpu h GLU 22 Ca -0.44 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 57.65 1wpu h GLU 22 Cb 1.21 -0.11 -0.24 0.00 0.50 0.00 0.00 28.75 30.11 1wpu h GLU 22 CO 0.87 0.32 -0.59 -1.21 -1.00 0.00 0.00 179.01 177.40 1wpu s GLU 23 N -5.51 0.83 -0.01 2.33 2.02 -1.26 -4.97 118.70 112.13 1wpu s GLU 23 Ca -0.09 -0.84 0.21 0.00 0.02 0.00 0.00 54.97 54.28 1wpu s GLU 23 Cb 0.22 -0.37 -0.27 0.00 0.10 0.00 0.00 34.13 33.82 1wpu s GLU 23 CO 0.78 -1.25 0.72 0.45 0.02 0.00 0.00 175.26 175.98 1wpu n SER 24 N 3.85 0.54 -2.95 -0.19 2.88 -1.26 -4.96 113.62 111.54 1wpu n SER 24 Ca 0.15 -0.53 -0.17 0.00 -1.33 0.00 0.00 58.87 56.98 1wpu n SER 24 Cb 0.52 1.44 -0.00 0.00 -0.75 0.00 0.00 64.21 65.41 1wpu n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1wpu n THR 25 N -1.85 -0.76 0.15 2.46 -1.04 -1.26 -4.81 114.28 107.17 1wpu n THR 25 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1wpu n THR 25 Cb 0.44 -1.65 0.19 0.00 -1.82 0.00 0.00 70.33 67.49 1wpu n THR 25 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1wpu h GLN 26 N -0.53 0.00 0.35 -2.82 4.15 -1.99 -2.64 115.11 111.64 1wpu h GLN 26 Ca -0.34 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.06 1wpu h GLN 26 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1wpu h GLN 26 CO 0.42 0.56 -0.17 0.28 -1.93 0.00 0.00 178.83 177.99 1wpu h VAL 27 N 0.00 0.65 -0.48 2.39 2.07 -2.00 -1.16 116.25 117.72 1wpu h VAL 27 Ca -0.01 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1wpu h VAL 27 Cb 1.12 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1wpu h VAL 27 CO 0.07 0.09 0.32 -0.33 0.02 0.00 0.00 177.57 177.74 1wpu h GLU 28 N -0.74 0.51 -0.17 1.57 5.08 -1.95 0.11 114.58 118.99 1wpu h GLU 28 Ca -0.05 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1wpu h GLU 28 Cb 0.50 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1wpu h GLU 28 CO 0.08 0.34 -0.00 1.49 -1.00 0.00 0.00 179.01 179.92 1wpu h GLU 29 N 0.53 0.31 -0.70 2.33 4.81 -1.33 0.12 114.58 120.65 1wpu h GLU 29 Ca 0.20 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1wpu h GLU 29 Cb 0.12 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1wpu h GLU 29 CO -0.05 0.52 0.24 -0.07 -0.73 0.00 0.00 179.01 178.93 1wpu h LEU 30 N 0.05 1.00 -1.01 1.64 3.38 -0.55 -2.12 115.31 117.70 1wpu h LEU 30 Ca 0.05 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1wpu h LEU 30 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1wpu h LEU 30 CO 0.01 0.92 -0.14 -0.33 0.09 0.00 0.00 178.44 178.99 1wpu h GLU 31 N 1.02 0.55 -0.18 1.13 5.08 -0.85 -1.35 114.58 119.98 1wpu h GLU 31 Ca 0.23 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1wpu h GLU 31 Cb 0.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1wpu h GLU 31 CO -0.01 0.68 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.41 1wpu h ARG 32 N 0.50 0.30 0.00 2.33 2.43 -0.34 -1.33 114.38 118.27 1wpu h ARG 32 Ca 0.09 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1wpu h ARG 32 Cb 0.54 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1wpu h ARG 32 CO 0.03 0.48 0.00 -0.25 -1.51 0.00 0.00 179.97 178.72 1wpu n ASP 33 N -4.21 0.00 0.00 -3.80 10.43 -0.72 -4.88 116.55 113.36 1wpu n ASP 33 Ca -0.00 -1.17 0.00 0.00 2.57 0.00 0.00 54.79 56.19 1wpu n ASP 33 Cb 0.32 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.28 1wpu n ASP 33 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1wpu n GLY 34 N 0.89 0.28 3.81 0.44 0.00 -0.50 -5.08 105.19 105.03 1wpu n GLY 34 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1wpu n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wpu s TRP 35 N -2.00 3.34 -0.21 1.61 0.52 -0.59 -4.90 118.94 116.72 1wpu s TRP 35 Ca 0.00 1.64 -0.09 0.00 0.02 0.00 0.00 56.10 57.67 1wpu s TRP 35 Cb 0.00 -2.90 -0.05 0.00 -1.15 0.00 0.00 33.47 29.38 1wpu s TRP 35 CO 0.00 -0.15 0.11 0.15 0.02 0.00 0.00 176.95 177.08 1wpu s LYS 36 N -2.96 4.04 0.06 4.98 -0.14 -0.70 -3.92 119.74 121.10 1wpu s LYS 36 Ca 0.60 -0.30 0.06 0.00 -1.36 0.00 0.00 55.97 54.98 1wpu s LYS 36 Cb -0.12 -3.37 -0.03 0.00 -1.68 0.00 0.00 37.83 32.63 1wpu s LYS 36 CO 0.16 0.18 -0.17 0.08 -0.76 0.00 0.00 175.35 174.84 1wpu s VAL 37 N 0.66 1.40 -0.06 3.17 1.01 -1.26 -1.34 120.40 123.98 1wpu s VAL 37 Ca 0.06 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 60.79 1wpu s VAL 37 Cb -0.13 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1wpu s VAL 37 CO 0.01 0.02 0.15 0.00 0.00 0.00 0.00 175.10 175.28 1wpu s LEU 39 N 0.88 2.11 0.00 0.00 1.43 -1.26 -0.85 118.68 120.99 1wpu s LEU 39 Ca -0.07 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.52 1wpu s LEU 39 Cb -0.09 -0.84 0.04 0.00 0.03 0.00 0.00 46.19 45.33 1wpu s LEU 39 CO -0.04 0.15 0.51 0.61 0.23 0.00 0.00 176.35 177.80 1wpu n GLY 40 N 2.19 1.30 3.22 -3.19 0.00 -0.50 -5.01 105.19 103.20 1wpu n GLY 40 Ca -0.16 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 1wpu n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wpu s LYS 41 N -2.05 0.48 -0.22 1.61 -2.85 -1.26 -0.79 119.74 114.65 1wpu s LYS 41 Ca 0.10 0.21 -0.23 0.00 -1.00 0.00 0.00 55.97 55.06 1wpu s LYS 41 Cb -0.03 0.22 0.06 0.00 -2.06 0.00 0.00 37.83 36.02 1wpu s LYS 41 CO 0.07 -0.09 0.63 0.54 0.10 0.00 0.00 175.35 176.60 1wpu s VAL 42 N -0.37 0.00 -0.00 1.79 0.11 0.13 -4.99 120.40 117.06 1wpu s VAL 42 Ca -0.05 -0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.02 1wpu s VAL 42 Cb -0.03 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 1wpu s VAL 42 CO 0.02 -0.01 -0.10 -0.83 -3.33 0.00 0.00 175.10 170.85 1wpu s GLY 43 N 0.18 0.52 -0.08 6.54 0.00 -1.26 -0.23 107.32 112.99 1wpu s GLY 43 Ca -0.01 -0.47 -0.32 0.00 0.00 0.00 0.00 44.72 43.92 1wpu s GLY 43 CO 0.02 -0.40 1.29 -0.45 0.00 0.00 0.00 173.10 173.56 1wpu s SER 44 N -0.32 -0.07 0.00 1.64 0.15 -0.15 -4.97 113.70 109.98 1wpu s SER 44 Ca 0.04 -0.08 0.12 0.00 0.70 0.00 0.00 55.95 56.73 1wpu s SER 44 Cb -0.04 0.13 0.26 0.00 -1.71 0.00 0.00 66.02 64.66 1wpu s SER 44 CO -0.00 -0.23 1.15 0.23 1.20 0.00 0.00 173.24 175.58 1wpu n MET 45 N -0.37 2.10 -4.07 5.44 2.81 -1.26 -1.72 117.12 120.04 1wpu n MET 45 Ca -0.06 -1.81 -0.32 0.00 -1.81 0.00 0.00 57.70 53.70 1wpu n MET 45 Cb 0.62 -1.28 -0.16 0.00 -0.71 0.00 0.00 33.22 31.69 1wpu n MET 45 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wpu s ASP 46 N -1.02 3.47 0.40 7.83 1.11 -1.26 -0.05 116.67 127.15 1wpu s ASP 46 Ca 0.22 -0.87 0.08 0.00 0.18 0.00 0.00 52.55 52.16 1wpu s ASP 46 Cb 0.13 -1.42 0.85 0.00 1.07 0.00 0.00 42.92 43.55 1wpu s ASP 46 CO 0.17 -0.08 2.03 0.00 1.18 0.00 0.00 175.17 178.47 1wpu h ALA 47 N 7.91 1.75 0.00 5.23 0.00 -1.93 -1.94 119.26 130.29 1wpu h ALA 47 Ca -0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1wpu h ALA 47 Cb 1.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1wpu h ALA 47 CO 0.55 0.20 -0.10 1.12 0.00 0.00 0.00 179.25 181.02 1wpu h HIS 48 N 0.59 0.00 -0.03 0.00 2.07 -1.98 -0.97 115.15 114.83 1wpu h HIS 48 Ca 0.20 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.58 1wpu h HIS 48 Cb 0.09 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.05 1wpu h HIS 48 CO -0.00 0.10 -0.66 0.87 -3.07 0.00 0.00 177.93 175.17 1wpu h LYS 49 N 0.00 0.12 -0.14 5.12 1.57 -1.78 -0.77 116.57 120.70 1wpu h LYS 49 Ca -0.00 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1wpu h LYS 49 Cb 0.19 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1wpu h LYS 49 CO 0.01 0.73 -0.15 0.28 -0.57 0.00 0.00 179.45 179.76 1wpu h VAL 50 N 0.09 1.35 -0.42 0.50 2.07 -1.20 -1.61 116.25 117.04 1wpu h VAL 50 Ca -0.01 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1wpu h VAL 50 Cb 1.17 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 1wpu h VAL 50 CO 0.09 0.39 0.25 0.40 0.02 0.00 0.00 177.57 178.73 1wpu h ILE 51 N -0.03 1.06 -0.70 4.57 2.04 -1.18 -2.42 117.51 120.84 1wpu h ILE 51 Ca 0.02 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1wpu h ILE 51 Cb 0.69 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1wpu h ILE 51 CO 0.04 0.09 0.18 0.00 0.00 0.00 0.00 178.15 178.46 1wpu h ALA 52 N 1.18 0.99 -0.55 1.87 0.00 -1.12 -1.47 119.26 120.15 1wpu h ALA 52 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wpu h ALA 52 Cb -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1wpu h ALA 52 CO -0.06 0.66 0.31 0.00 0.00 0.00 0.00 179.25 180.15 1wpu h ALA 53 N 1.13 0.71 -0.45 0.00 0.00 -1.04 0.16 119.26 119.77 1wpu h ALA 53 Ca 0.22 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1wpu h ALA 53 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1wpu h ALA 53 CO -0.00 0.22 0.03 0.82 0.00 0.00 0.00 179.25 180.32 1wpu h ILE 54 N 0.74 1.26 -0.00 0.00 2.04 -1.26 -1.51 117.51 118.77 1wpu h ILE 54 Ca 0.20 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1wpu h ILE 54 Cb 0.04 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1wpu h ILE 54 CO -0.03 0.34 0.00 -0.08 0.00 0.00 0.00 178.15 178.38 1wpu h GLU 55 N 0.64 0.00 -0.73 2.37 4.81 -1.03 -1.53 114.58 119.11 1wpu h GLU 55 Ca 0.13 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1wpu h GLU 55 Cb 0.45 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1wpu h GLU 55 CO 0.02 0.19 0.40 1.15 -0.73 0.00 0.00 179.01 180.03 1wpu h THR 56 N -0.18 1.22 -0.53 0.32 2.02 -0.95 -1.21 112.91 113.60 1wpu h THR 56 Ca 0.00 -0.55 -0.11 0.00 0.77 0.00 0.00 66.41 66.52 1wpu h THR 56 Cb 0.18 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1wpu h THR 56 CO -0.00 0.25 -0.09 0.00 0.37 0.00 0.00 175.52 176.04 1wpu h ALA 57 N 1.20 0.82 -0.51 6.16 0.00 -1.24 -1.14 119.26 124.56 1wpu h ALA 57 Ca 0.26 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1wpu h ALA 57 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1wpu h ALA 57 CO -0.04 0.66 -0.02 0.77 0.00 0.00 0.00 179.25 180.62 1wpu h SER 58 N 0.88 0.86 0.29 0.00 0.02 -0.92 -1.44 113.55 113.24 1wpu h SER 58 Ca 0.14 -0.23 -0.24 0.00 -0.84 0.00 0.00 61.79 60.62 1wpu h SER 58 Cb 0.65 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.97 1wpu h SER 58 CO 0.04 0.93 -1.01 0.11 -1.14 0.00 0.00 176.83 175.77 1wpu h LYS 59 N 0.81 0.47 -0.23 3.45 1.57 -1.10 0.16 116.57 121.69 1wpu h LYS 59 Ca 0.15 -0.53 -0.13 0.00 -1.87 0.00 0.00 60.65 58.27 1wpu h LYS 59 Cb 0.51 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1wpu h LYS 59 CO 0.03 1.18 -0.39 0.87 -0.57 0.00 0.00 179.45 180.57 1wpu h LYS 60 N 0.25 0.54 -0.00 3.15 6.56 -1.12 -2.89 116.57 123.06 1wpu h LYS 60 Ca -0.10 -0.26 0.00 0.00 -1.06 0.00 0.00 60.65 59.22 1wpu h LYS 60 Cb 1.66 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.32 1wpu h LYS 60 CO 0.18 0.84 -0.08 -1.13 -2.06 0.00 0.00 179.45 177.20 1wpu n SER 61 N -4.04 0.21 -0.02 0.86 3.41 -0.55 -4.93 113.62 108.57 1wpu n SER 61 Ca -0.01 -0.20 -0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1wpu n SER 61 Cb 0.50 -0.20 -0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1wpu n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wpu n GLY 62 N 1.33 0.44 0.15 5.00 0.00 -1.05 -4.92 105.19 106.14 1wpu n GLY 62 Ca 0.12 -0.69 -0.00 0.00 0.00 0.00 0.00 46.02 45.45 1wpu n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wpu h VAL 63 N 0.00 1.39 -4.12 1.61 2.07 -1.24 -3.45 116.25 112.52 1wpu h VAL 63 Ca -0.00 -1.86 -0.15 0.00 0.82 0.00 0.00 66.70 65.51 1wpu h VAL 63 Cb 0.02 2.00 -0.18 0.00 -1.52 0.00 0.00 31.29 31.61 1wpu h VAL 63 CO 0.01 0.53 -0.69 0.27 0.02 0.00 0.00 177.57 177.71 1wpu s ILE 64 N -3.79 0.19 0.36 4.57 -4.36 -1.17 -4.91 121.20 112.09 1wpu s ILE 64 Ca -0.02 -1.44 -0.28 0.00 -0.26 0.00 0.00 60.65 58.65 1wpu s ILE 64 Cb 0.13 -1.00 -0.11 0.00 1.25 0.00 0.00 42.46 42.73 1wpu s ILE 64 CO 0.75 -0.78 1.52 -1.10 0.24 0.00 0.00 174.94 175.57 1wpu s GLN 65 N -2.89 4.11 0.25 0.37 -0.21 -1.26 -4.50 119.66 115.53 1wpu s GLN 65 Ca -0.02 2.58 0.14 0.00 0.02 0.00 0.00 55.36 58.08 1wpu s GLN 65 Cb 0.00 -2.98 0.02 0.00 1.00 0.00 0.00 33.01 31.06 1wpu s GLN 65 CO -0.06 -0.57 1.39 0.77 -2.12 0.00 0.00 175.29 174.70 1wpu h SER 66 N 3.44 0.00 -2.43 5.90 0.02 -1.96 -3.44 113.55 115.08 1wpu h SER 66 Ca -0.50 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 59.94 1wpu h SER 66 Cb 1.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1wpu h SER 66 CO 0.68 0.56 -0.45 -1.61 -1.14 0.00 0.00 176.83 174.86 1wpu s GLU 67 N -2.93 3.44 0.00 3.45 8.01 -1.26 -5.01 118.70 124.39 1wpu s GLU 67 Ca 0.03 -0.66 0.00 0.00 0.01 0.00 0.00 54.97 54.36 1wpu s GLU 67 Cb 0.08 -2.94 0.00 0.00 -4.31 0.00 0.00 34.13 26.96 1wpu s GLU 67 CO 0.76 0.49 0.00 0.41 0.01 0.00 0.00 175.26 176.93 1wpu n GLY 68 N -0.84 -1.57 0.09 -1.39 0.00 -1.26 -4.87 105.19 95.35 1wpu n GLY 68 Ca -0.08 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 1wpu n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wpu n TYR 69 N -1.80 0.00 -0.35 1.61 9.36 -1.26 -4.63 117.16 120.09 1wpu n TYR 69 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1wpu n TYR 69 Cb 0.00 -0.70 -0.05 0.00 -0.63 0.00 0.00 39.34 37.96 1wpu n TYR 69 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1wpu n ARG 70 N -3.01 -0.32 0.10 2.98 0.63 -1.26 -0.08 116.66 115.70 1wpu n ARG 70 Ca -0.32 1.28 -0.03 0.00 -0.92 0.00 0.00 57.85 57.86 1wpu n ARG 70 Cb 0.85 -1.89 0.16 0.00 0.45 0.00 0.00 32.46 32.03 1wpu n ARG 70 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1wpu h GLU 71 N 0.00 0.19 -0.38 -0.14 5.08 -1.89 -1.83 114.58 115.61 1wpu h GLU 71 Ca 0.19 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1wpu h GLU 71 Cb 0.40 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1wpu h GLU 71 CO -0.81 0.69 -0.20 0.77 -1.00 0.00 0.00 179.01 178.47 1wpu h SER 72 N 0.15 0.73 -0.40 1.42 0.02 -1.29 -1.51 113.55 112.68 1wpu h SER 72 Ca -0.00 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1wpu h SER 72 Cb 1.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1wpu h SER 72 CO 0.08 0.92 0.18 -0.74 -1.14 0.00 0.00 176.83 176.14 1wpu h HIS 73 N 0.64 0.59 -0.51 3.45 -0.00 -0.15 0.01 115.15 119.18 1wpu h HIS 73 Ca 0.10 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 1wpu h HIS 73 Cb 0.69 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.89 1wpu h HIS 73 CO 0.03 0.50 0.26 0.00 -0.00 0.00 0.00 177.93 178.72 1wpu h ALA 74 N 1.03 0.66 -0.40 5.26 0.00 -1.09 -2.55 119.26 122.17 1wpu h ALA 74 Ca 0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1wpu h ALA 74 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1wpu h ALA 74 CO -0.02 0.21 -0.21 1.25 0.00 0.00 0.00 179.25 180.48 1wpu h LEU 75 N 0.68 0.80 -0.26 0.00 5.85 -1.08 -2.11 115.31 119.19 1wpu h LEU 75 Ca 0.18 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1wpu h LEU 75 Cb 0.09 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1wpu h LEU 75 CO -0.03 0.99 0.15 0.22 -0.34 0.00 0.00 178.44 179.43 1wpu h TYR 76 N 0.69 0.35 -0.13 1.25 5.03 -0.80 -0.16 116.97 123.21 1wpu h TYR 76 Ca 0.10 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.30 1wpu h TYR 76 Cb 0.72 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.87 1wpu h TYR 76 CO 0.04 0.29 -0.38 0.45 -1.32 0.00 0.00 178.16 177.24 1wpu h HIS 77 N 0.31 0.31 -0.52 -3.82 3.86 -1.41 -0.44 115.15 113.45 1wpu h HIS 77 Ca 0.09 -0.08 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 1wpu h HIS 77 Cb 0.05 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1wpu h HIS 77 CO -0.04 0.62 -0.09 0.00 0.86 0.00 0.00 177.93 179.27 1wpu h ALA 78 N 1.38 0.85 -0.57 2.45 0.00 -1.10 -1.40 119.26 120.86 1wpu h ALA 78 Ca 0.02 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1wpu h ALA 78 Cb 0.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1wpu h ALA 78 CO 0.06 0.65 0.00 1.15 0.00 0.00 0.00 179.25 181.12 1wpu h THR 79 N 0.86 1.26 -0.52 0.00 2.02 -0.55 -1.46 112.91 114.52 1wpu h THR 79 Ca 0.14 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.20 1wpu h THR 79 Cb 0.64 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1wpu h THR 79 CO 0.04 0.41 0.34 0.24 0.37 0.00 0.00 175.52 176.91 1wpu h MET 80 N 0.90 0.66 -0.80 6.66 2.86 -0.82 0.02 114.93 124.41 1wpu h MET 80 Ca 0.16 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1wpu h MET 80 Cb 0.54 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 1wpu h MET 80 CO 0.03 0.44 0.35 0.93 1.06 0.00 0.00 176.91 179.71 1wpu h GLU 81 N 0.68 1.18 -0.40 1.72 5.08 -1.01 -2.12 114.58 119.71 1wpu h GLU 81 Ca 0.20 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1wpu h GLU 81 Cb -0.05 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1wpu h GLU 81 CO -0.05 0.94 -0.10 0.00 -1.00 0.00 0.00 179.01 178.80 1wpu h ALA 82 N 1.18 1.09 0.00 3.43 0.00 -0.79 -2.56 119.26 121.62 1wpu h ALA 82 Ca 0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1wpu h ALA 82 Cb 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wpu h ALA 82 CO -0.03 0.56 -0.11 -0.07 0.00 0.00 0.00 179.25 179.61 1wpu h LEU 83 N 0.63 0.00 -0.91 0.00 3.38 -0.36 -2.47 115.31 115.59 1wpu h LEU 83 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1wpu h LEU 83 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1wpu h LEU 83 CO 0.03 0.11 0.23 0.45 0.09 0.00 0.00 178.44 179.36 1wpu h HIS 84 N 0.00 1.06 -0.11 1.13 3.86 -1.01 0.95 115.15 121.04 1wpu h HIS 84 Ca -0.00 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 59.01 1wpu h HIS 84 Cb 0.37 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1wpu h HIS 84 CO 0.00 0.83 -0.42 0.78 0.86 0.00 0.00 177.93 179.98 1wpu h GLY 85 N 1.07 0.27 0.90 2.45 0.00 -1.53 0.16 103.07 106.38 1wpu h GLY 85 Ca 0.23 -0.26 -0.19 0.00 0.00 0.00 0.00 47.33 47.11 1wpu h GLY 85 CO -0.01 0.23 -0.73 -2.08 0.00 0.00 0.00 176.54 173.95 1wpu h VAL 86 N 0.20 1.39 0.00 4.60 2.07 -1.08 -3.37 116.25 120.06 1wpu h VAL 86 Ca 0.02 -2.14 -0.10 0.00 0.82 0.00 0.00 66.70 65.30 1wpu h VAL 86 Cb 0.83 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1wpu h VAL 86 CO 0.07 0.63 -1.32 0.35 0.02 0.00 0.00 177.57 177.31 1wpu n THR 87 N -4.12 0.90 -3.78 2.57 -2.24 0.28 -4.85 114.28 103.04 1wpu n THR 87 Ca -0.11 -0.63 -0.35 0.00 -2.27 0.00 0.00 64.05 60.70 1wpu n THR 87 Cb 0.73 -0.53 0.04 0.00 -2.10 0.00 0.00 70.33 68.47 1wpu n THR 87 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wpu n ARG 88 N -2.76 -1.11 0.00 -0.78 1.74 0.56 -3.93 116.66 110.37 1wpu n ARG 88 Ca -0.06 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1wpu n ARG 88 Cb 0.72 -3.81 0.00 0.00 -1.02 0.00 0.00 32.46 28.35 1wpu n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wpu n GLY 89 N -1.78 3.43 3.00 -0.13 0.00 -1.26 -5.05 105.19 103.40 1wpu n GLY 89 Ca -0.11 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1wpu n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wpu s GLU 90 N 0.00 2.10 -1.55 1.61 0.41 -1.25 -5.02 118.70 114.99 1wpu s GLU 90 Ca 0.00 -0.66 -0.11 0.00 -0.41 0.00 0.00 54.97 53.79 1wpu s GLU 90 Cb 0.00 -2.21 -0.06 0.00 -1.78 0.00 0.00 34.13 30.08 1wpu s GLU 90 CO 0.00 -0.33 2.77 -0.12 -0.49 0.00 0.00 175.26 177.09 1wpu n MET 91 N 4.75 3.43 -4.06 1.61 1.56 -1.26 -4.78 117.12 118.37 1wpu n MET 91 Ca -0.15 -2.23 -0.14 0.00 -0.27 0.00 0.00 57.70 54.91 1wpu n MET 91 Cb 0.48 -2.87 -0.13 0.00 2.15 0.00 0.00 33.22 32.85 1wpu n MET 91 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wpu s LEU 92 N 0.56 2.10 0.00 -0.89 1.43 -1.26 -4.96 118.68 115.65 1wpu s LEU 92 Ca 0.64 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1wpu s LEU 92 Cb 0.17 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.24 1wpu s LEU 92 CO -0.06 -0.06 0.00 0.18 0.23 0.00 0.00 176.35 176.64 1wpu n LEU 93 N 2.42 0.00 -0.33 1.79 4.77 -1.26 -4.69 117.00 119.70 1wpu n LEU 93 Ca -0.17 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 55.95 1wpu n LEU 93 Cb 0.57 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 42.01 1wpu n LEU 93 CO 0.24 0.00 1.21 1.23 -1.33 0.00 0.00 177.39 178.74 1wpu h GLY 94 N 0.00 1.55 2.00 -0.72 0.00 0.08 0.95 103.07 106.92 1wpu h GLY 94 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1wpu h GLY 94 CO 0.00 -0.00 -0.02 1.48 0.00 0.00 0.00 176.54 178.00 1wpu h SER 95 N 0.73 0.00 -0.39 0.19 4.64 -1.87 0.27 113.55 117.12 1wpu h SER 95 Ca 0.54 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.74 1wpu h SER 95 Cb 0.88 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.90 1wpu h SER 95 CO -0.31 0.02 0.04 0.18 -0.87 0.00 0.00 176.83 175.89 1wpu n LEU 96 N -3.50 4.39 -3.71 5.97 4.77 0.25 -4.96 117.00 120.21 1wpu n LEU 96 Ca -0.03 -3.34 -0.25 0.00 -0.03 0.00 0.00 56.01 52.36 1wpu n LEU 96 Cb 0.11 -0.62 0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1wpu n LEU 96 CO 0.25 0.91 0.13 -0.11 -1.33 0.00 0.00 177.39 177.25 1wpu n LEU 97 N -0.72 -3.13 -4.08 2.23 7.94 0.08 -5.00 117.00 114.33 1wpu n LEU 97 Ca 0.30 -0.68 -0.09 0.00 -1.11 0.00 0.00 56.01 54.43 1wpu n LEU 97 Cb 1.05 -2.82 -0.10 0.00 0.53 0.00 0.00 43.42 42.07 1wpu n LEU 97 CO 0.22 0.52 -0.37 0.00 -1.11 0.00 0.00 177.39 176.65 1wpu s ARG 98 N -6.26 0.58 0.08 1.96 1.70 -0.70 -4.34 118.95 111.98 1wpu s ARG 98 Ca 0.45 -1.08 0.04 0.00 -0.47 0.00 0.00 55.73 54.67 1wpu s ARG 98 Cb -0.21 0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.21 1wpu s ARG 98 CO 0.78 -0.07 -0.11 -0.08 -1.08 0.00 0.00 175.30 174.75 1wpu s THR 99 N -3.16 0.91 0.07 4.99 -1.32 -0.02 -2.13 115.64 114.98 1wpu s THR 99 Ca 0.02 -1.48 0.07 0.00 -1.21 0.00 0.00 61.69 59.09 1wpu s THR 99 Cb 0.02 -1.18 -0.03 0.00 -1.51 0.00 0.00 72.50 69.80 1wpu s THR 99 CO -0.06 -0.46 -0.19 0.68 -2.21 0.00 0.00 174.62 172.37 1wpu s VAL 100 N -2.04 1.57 -0.20 5.08 -7.23 -0.70 -1.57 120.40 115.31 1wpu s VAL 100 Ca 0.01 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 1wpu s VAL 100 Cb -0.05 -1.41 0.05 0.00 0.56 0.00 0.00 36.38 35.52 1wpu s VAL 100 CO 0.00 0.02 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.92 1wpu s GLY 101 N -1.57 1.13 0.13 2.32 0.00 -0.36 -0.97 107.32 107.99 1wpu s GLY 101 Ca 0.05 -1.08 0.05 0.00 0.00 0.00 0.00 44.72 43.75 1wpu s GLY 101 CO 0.03 0.89 -0.12 1.08 0.00 0.00 0.00 173.10 174.98 1wpu s LEU 102 N 1.51 2.45 0.06 0.66 1.43 0.68 -1.36 118.68 124.11 1wpu s LEU 102 Ca -0.02 -0.88 0.09 0.00 -1.03 0.00 0.00 54.13 52.28 1wpu s LEU 102 Cb -0.17 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 1wpu s LEU 102 CO -0.07 -0.21 -0.22 -0.13 0.23 0.00 0.00 176.35 175.94 1wpu s ARG 103 N -3.07 1.86 0.06 1.70 0.52 -0.02 -0.69 118.95 119.31 1wpu s ARG 103 Ca 0.12 -1.09 -0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1wpu s ARG 103 Cb -0.02 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 1wpu s ARG 103 CO 0.02 0.51 -0.04 -0.59 0.02 0.00 0.00 175.30 175.22 1wpu s PHE 104 N -0.92 0.58 -0.00 -0.53 -0.12 0.03 -1.69 117.98 115.32 1wpu s PHE 104 Ca 0.14 -0.93 0.00 0.00 -0.05 0.00 0.00 56.93 56.09 1wpu s PHE 104 Cb -0.10 -0.39 0.00 0.00 -0.63 0.00 0.00 43.02 41.90 1wpu s PHE 104 CO 0.05 -0.29 -0.01 0.00 -0.05 0.00 0.00 175.22 174.92 1wpu s ALA 105 N -3.38 0.08 -0.11 1.99 0.00 -0.42 -1.41 121.76 118.51 1wpu s ALA 105 Ca 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1wpu s ALA 105 Cb 0.04 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1wpu s ALA 105 CO -0.07 0.01 -0.12 0.08 0.00 0.00 0.00 175.76 175.66 1wpu s VAL 106 N 0.06 1.29 -0.02 0.00 1.01 -0.03 -0.90 120.40 121.81 1wpu s VAL 106 Ca -0.00 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1wpu s VAL 106 Cb -0.01 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1wpu s VAL 106 CO -0.00 0.40 -0.23 -0.22 0.00 0.00 0.00 175.10 175.05 1wpu s LEU 107 N 1.22 2.04 -0.05 3.92 2.96 -0.40 -1.51 118.68 126.87 1wpu s LEU 107 Ca -0.03 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 1wpu s LEU 107 Cb -0.14 -1.18 0.02 0.00 0.50 0.00 0.00 46.19 45.39 1wpu s LEU 107 CO -0.04 0.28 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.62 1wpu s ARG 108 N -0.51 0.90 0.00 1.98 3.52 -0.45 -0.91 118.95 123.47 1wpu s ARG 108 Ca 0.08 -0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1wpu s ARG 108 Cb -0.09 -0.89 0.00 0.00 -1.56 0.00 0.00 34.95 32.41 1wpu s ARG 108 CO -0.01 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 1wpu n GLY 109 N 4.05 -1.85 3.50 8.12 0.00 -0.56 -1.71 105.19 116.74 1wpu n GLY 109 Ca -0.24 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1wpu n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wpu s ASN 110 N -1.31 6.12 0.00 1.61 3.84 -1.26 -0.41 114.94 123.53 1wpu s ASN 110 Ca 0.00 -0.59 0.28 0.00 0.21 0.00 0.00 52.86 52.77 1wpu s ASN 110 Cb 0.00 -2.17 1.13 0.00 -0.55 0.00 0.00 41.25 39.67 1wpu s ASN 110 CO 0.00 -0.37 1.79 -0.81 -2.79 0.00 0.00 177.10 174.92 1wpu n PRO 111 N 5.24 1.56 -3.48 0.43 -0.04 -1.26 -4.93 135.00 132.51 1wpu n PRO 111 Ca -0.11 -0.84 -0.21 0.00 -0.04 0.00 0.00 63.50 62.31 1wpu n PRO 111 Cb 0.48 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1wpu n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wpu s TYR 112 N -2.02 3.24 0.20 0.54 1.51 -1.26 -0.33 117.35 119.22 1wpu s TYR 112 Ca 0.39 -0.04 -0.01 0.00 -1.01 0.00 0.00 57.07 56.39 1wpu s TYR 112 Cb 0.21 -1.95 0.13 0.00 -0.11 0.00 0.00 41.96 40.24 1wpu s TYR 112 CO 0.35 0.04 1.49 0.93 -1.11 0.00 0.00 175.55 177.25 1wpu h GLU 113 N 0.85 0.44 -6.08 -0.62 5.08 -1.49 -3.42 114.58 109.34 1wpu h GLU 113 Ca -0.48 -0.31 -0.56 0.00 -1.00 0.00 0.00 59.36 57.01 1wpu h GLU 113 Cb 1.25 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 1wpu h GLU 113 CO 0.56 0.92 0.31 0.45 -1.00 0.00 0.00 179.01 180.25 1wpu s SER 114 N -6.93 7.07 0.42 1.42 0.15 -1.26 -4.93 113.70 109.62 1wpu s SER 114 Ca -0.06 1.30 0.29 0.00 0.70 0.00 0.00 55.95 58.18 1wpu s SER 114 Cb 0.11 -2.47 1.22 0.00 -1.71 0.00 0.00 66.02 63.17 1wpu s SER 114 CO 0.83 -0.29 1.87 1.05 1.20 0.00 0.00 173.24 177.89 1wpu h GLU 115 N 7.05 0.00 0.00 5.44 9.09 -1.98 -2.60 114.58 131.58 1wpu h GLU 115 Ca -0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.06 1wpu h GLU 115 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1wpu h GLU 115 CO 0.80 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.86 1wpu n ALA 116 N -1.94 1.62 0.49 1.06 0.00 -1.26 -2.35 120.51 118.13 1wpu n ALA 116 Ca 0.01 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.66 1wpu n ALA 116 Cb 0.26 -1.38 0.46 0.00 0.00 0.00 0.00 19.45 18.79 1wpu n ALA 116 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wpu n GLU 117 N -2.22 0.19 0.00 0.00 -0.58 -0.98 -4.99 120.64 112.05 1wpu n GLU 117 Ca 0.02 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1wpu n GLU 117 Cb 0.22 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 1wpu n GLU 117 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wpu n GLY 118 N 0.40 0.04 3.81 0.62 0.00 -0.99 -4.80 105.19 104.26 1wpu n GLY 118 Ca 0.03 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1wpu n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wpu s ASP 119 N -4.00 7.08 0.22 1.61 1.01 -1.26 -4.11 116.67 117.22 1wpu s ASP 119 Ca 0.00 1.57 0.04 0.00 0.71 0.00 0.00 52.55 54.87 1wpu s ASP 119 Cb 0.00 -2.48 -0.05 0.00 1.01 0.00 0.00 42.92 41.40 1wpu s ASP 119 CO 0.00 -0.10 -0.04 0.26 0.21 0.00 0.00 175.17 175.50 1wpu s TRP 120 N -1.74 1.58 0.00 4.23 0.52 0.45 -1.06 118.94 122.93 1wpu s TRP 120 Ca 0.50 -0.84 0.02 0.00 0.02 0.00 0.00 56.10 55.81 1wpu s TRP 120 Cb -0.15 -0.88 -0.01 0.00 -1.15 0.00 0.00 33.47 31.28 1wpu s TRP 120 CO 0.20 0.06 -0.08 -1.50 0.02 0.00 0.00 176.95 175.65 1wpu s ILE 121 N -3.31 0.61 -0.06 2.03 2.07 0.71 -1.50 121.20 121.75 1wpu s ILE 121 Ca 0.26 -0.41 0.04 0.00 -1.41 0.00 0.00 60.65 59.12 1wpu s ILE 121 Cb 0.04 -0.53 0.00 0.00 0.13 0.00 0.00 42.46 42.11 1wpu s ILE 121 CO 0.08 0.11 -0.17 0.00 -1.91 0.00 0.00 174.94 173.04 1wpu s ALA 122 N -0.31 1.60 -0.19 1.50 0.00 -0.09 -1.25 121.76 123.02 1wpu s ALA 122 Ca 0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1wpu s ALA 122 Cb -0.04 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.49 1wpu s ALA 122 CO -0.00 0.23 -0.13 0.08 0.00 0.00 0.00 175.76 175.94 1wpu s VAL 123 N 0.30 2.68 -0.04 0.00 1.01 -0.05 -1.27 120.40 123.03 1wpu s VAL 123 Ca -0.11 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.20 1wpu s VAL 123 Cb -0.14 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1wpu s VAL 123 CO 0.04 0.49 -0.23 -0.44 0.00 0.00 0.00 175.10 174.96 1wpu s SER 124 N 1.27 2.76 -0.02 3.32 0.01 -0.08 -0.99 113.70 119.97 1wpu s SER 124 Ca 0.03 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 56.90 1wpu s SER 124 Cb -0.14 -0.56 -0.01 0.00 0.21 0.00 0.00 66.02 65.52 1wpu s SER 124 CO -0.07 0.25 -0.17 -0.76 0.41 0.00 0.00 173.24 172.90 1wpu s LEU 125 N -0.30 2.02 -0.15 2.44 1.43 0.84 -1.30 118.68 123.66 1wpu s LEU 125 Ca 0.02 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 1wpu s LEU 125 Cb -0.11 -0.90 0.05 0.00 0.03 0.00 0.00 46.19 45.26 1wpu s LEU 125 CO 0.01 0.21 0.38 -0.47 0.23 0.00 0.00 176.35 176.72 1wpu s TYR 126 N -0.38 -0.49 -0.12 0.29 5.04 -0.68 -1.56 117.35 119.46 1wpu s TYR 126 Ca 0.06 1.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 1wpu s TYR 126 Cb -0.07 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.42 1wpu s TYR 126 CO -0.00 -0.26 0.00 0.41 -1.34 0.00 0.00 175.55 174.35 1wpu n GLY 127 N 3.53 -0.89 3.18 8.97 0.00 -0.72 -0.84 105.19 118.42 1wpu n GLY 127 Ca -0.18 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 1wpu n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wpu s THR 128 N -4.00 1.06 0.01 2.61 -4.23 -0.47 -0.92 115.64 109.70 1wpu s THR 128 Ca 0.00 -1.46 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 1wpu s THR 128 Cb 0.00 -1.20 -0.01 0.00 1.34 0.00 0.00 72.50 72.63 1wpu s THR 128 CO 0.00 -0.37 -0.08 -0.51 -0.54 0.00 0.00 174.62 173.12 1wpu s ILE 129 N -1.77 0.60 0.00 2.99 2.07 0.10 -1.23 121.20 123.96 1wpu s ILE 129 Ca 0.01 -0.52 0.00 0.00 -1.41 0.00 0.00 60.65 58.73 1wpu s ILE 129 Cb -0.07 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 41.98 1wpu s ILE 129 CO 0.02 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1wpu n GLY 130 N 2.52 0.48 3.78 1.50 0.00 -0.61 -1.52 105.19 111.35 1wpu n GLY 130 Ca -0.15 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 1wpu n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpu s ALA 131 N -1.00 2.43 0.00 4.61 0.00 -0.29 -0.84 121.76 126.66 1wpu s ALA 131 Ca 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 1wpu s ALA 131 Cb 0.00 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 19.73 1wpu s ALA 131 CO 0.00 -1.47 2.18 -2.30 0.00 0.00 0.00 175.76 174.17 1wpu n PRO 132 N -3.10 1.10 -3.66 0.00 -0.02 -1.26 -4.63 135.00 123.43 1wpu n PRO 132 Ca 0.09 -0.49 -0.17 0.00 -2.02 0.00 0.00 63.50 60.90 1wpu n PRO 132 Cb 0.53 -1.69 -0.16 0.00 -0.02 0.00 0.00 33.50 32.16 1wpu n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wpu s ILE 133 N 1.61 -0.25 0.03 4.25 1.01 -1.26 -5.11 121.20 121.48 1wpu s ILE 133 Ca 0.33 0.35 -0.38 0.00 0.00 0.00 0.00 60.65 60.96 1wpu s ILE 133 Cb 0.16 -0.29 -0.17 0.00 0.01 0.00 0.00 42.46 42.16 1wpu s ILE 133 CO 0.00 0.14 1.33 1.17 0.00 0.00 0.00 174.94 177.58 1wpu n LYS 134 N 5.32 0.93 0.00 2.79 4.81 -1.26 -1.43 118.16 129.32 1wpu n LYS 134 Ca -0.04 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1wpu n LYS 134 Cb 0.50 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.59 1wpu n LYS 134 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wpu n GLY 135 N 2.50 2.99 2.96 3.14 0.00 -1.26 -4.94 105.19 110.58 1wpu n GLY 135 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1wpu n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wpu n LEU 136 N 0.00 6.41 -3.62 0.99 4.77 -0.51 -4.86 117.00 120.17 1wpu n LEU 136 Ca 0.00 -4.50 -0.10 0.00 -0.03 0.00 0.00 56.01 51.38 1wpu n LEU 136 Cb 0.00 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 39.52 1wpu n LEU 136 CO 0.00 1.18 0.39 -1.83 -1.33 0.00 0.00 177.39 175.81 1wpu s GLU 137 N 1.20 1.45 0.22 3.23 -1.05 -1.26 -1.14 118.70 121.34 1wpu s GLU 137 Ca 0.42 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 1wpu s GLU 137 Cb 0.08 0.58 -0.04 0.00 -0.44 0.00 0.00 34.13 34.31 1wpu s GLU 137 CO -0.01 -0.64 0.15 -3.38 0.95 0.00 0.00 175.26 172.33 1wpu s HIS 138 N -3.83 1.27 0.78 4.83 -3.43 -0.58 -4.95 115.29 109.38 1wpu s HIS 138 Ca 0.06 -1.41 -0.11 0.00 -0.80 0.00 0.00 55.06 52.80 1wpu s HIS 138 Cb -0.02 -0.60 0.06 0.00 -1.43 0.00 0.00 32.58 30.59 1wpu s HIS 138 CO -0.05 -0.66 1.10 -1.21 -2.00 0.00 0.00 174.74 171.92 1wpu s GLU 139 N -4.05 2.18 -0.04 -0.38 2.02 -1.26 -0.72 118.70 116.44 1wpu s GLU 139 Ca 0.39 1.21 -0.13 0.00 0.02 0.00 0.00 54.97 56.46 1wpu s GLU 139 Cb 0.06 -1.89 0.02 0.00 0.10 0.00 0.00 34.13 32.43 1wpu s GLU 139 CO 0.14 -1.71 0.30 -0.08 0.02 0.00 0.00 175.26 173.94 1wpu s THR 140 N -2.86 0.04 0.04 3.63 -1.32 -0.09 -4.66 115.64 110.42 1wpu s THR 140 Ca 0.62 -0.36 -0.02 0.00 -1.21 0.00 0.00 61.69 60.72 1wpu s THR 140 Cb -0.18 -0.56 -0.02 0.00 -1.51 0.00 0.00 72.50 70.23 1wpu s THR 140 CO 0.56 -0.20 0.01 -0.36 -2.21 0.00 0.00 174.62 172.42 1wpu s PHE 141 N -0.91 0.34 -0.28 9.09 0.40 -1.26 -1.76 117.98 123.61 1wpu s PHE 141 Ca -0.10 -0.73 -0.23 0.00 -0.60 0.00 0.00 56.93 55.27 1wpu s PHE 141 Cb -0.05 -0.25 0.09 0.00 0.51 0.00 0.00 43.02 43.33 1wpu s PHE 141 CO 0.03 -0.33 0.83 0.20 0.70 0.00 0.00 175.22 176.66 1wpu s GLY 142 N -2.26 -0.39 -0.04 4.36 0.00 -0.60 -2.46 107.32 105.93 1wpu s GLY 142 Ca -0.03 2.39 0.00 0.00 0.00 0.00 0.00 44.72 47.08 1wpu s GLY 142 CO -0.06 1.95 -0.01 0.14 0.00 0.00 0.00 173.10 175.13 1wpu s VAL 143 N 0.62 0.24 -0.03 1.40 1.01 -1.26 -0.11 120.40 122.27 1wpu s VAL 143 Ca -0.01 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1wpu s VAL 143 Cb -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 1wpu s VAL 143 CO -0.06 0.17 -0.20 -0.83 0.00 0.00 0.00 175.10 174.18 1wpu s GLY 144 N 1.13 1.01 -0.03 4.51 0.00 -0.16 -4.12 107.32 109.65 1wpu s GLY 144 Ca -0.08 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 43.85 1wpu s GLY 144 CO -0.02 -0.58 -0.15 -0.42 0.00 0.00 0.00 173.10 171.94 1wpu s ILE 145 N -0.24 1.21 0.11 0.90 1.01 -1.26 -0.87 121.20 122.06 1wpu s ILE 145 Ca 0.02 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.94 1wpu s ILE 145 Cb -0.10 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.35 1wpu s ILE 145 CO 0.01 0.35 0.28 0.21 0.00 0.00 0.00 174.94 175.79 1wpu s ASN 146 N -0.07 -0.02 0.32 3.58 2.47 -0.38 -4.87 114.94 115.97 1wpu s ASN 146 Ca -0.00 -0.54 -0.13 0.00 0.42 0.00 0.00 52.86 52.61 1wpu s ASN 146 Cb -0.09 0.40 -0.08 0.00 -1.45 0.00 0.00 41.25 40.03 1wpu s ASN 146 CO 0.01 -0.80 0.71 -1.38 -3.72 0.00 0.00 177.10 171.92 1wpu s HIS 147 N -3.85 3.40 0.00 0.43 -3.43 -1.26 -0.21 115.29 110.37 1wpu s HIS 147 Ca 0.05 1.11 0.00 0.00 -0.80 0.00 0.00 55.06 55.43 1wpu s HIS 147 Cb 0.03 -2.46 0.00 0.00 -1.43 0.00 0.00 32.58 28.72 1wpu s HIS 147 CO -0.10 0.09 0.00 1.51 -2.00 0.00 0.00 174.74 174.24