#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wha s SER 2 N 0.00 1.28 0.05 1.61 0.01 -1.26 -5.16 113.70 110.24 1wha s SER 2 Ca 0.00 -0.49 0.07 0.00 1.31 0.00 0.00 55.95 56.84 1wha s SER 2 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 1wha s SER 2 CO 0.00 -0.07 -0.18 -0.94 0.41 0.00 0.00 173.24 172.46 1wha s SER 3 N -1.34 3.81 0.00 2.44 1.04 -1.26 -5.04 113.70 113.36 1wha s SER 3 Ca -0.03 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1wha s SER 3 Cb -0.09 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.43 1wha s SER 3 CO 0.01 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.08 1wha n GLY 4 N 1.43 2.36 0.09 7.32 0.00 -1.26 -5.07 105.19 110.07 1wha n GLY 4 Ca -0.16 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.30 1wha n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wha h SER 5 N 0.00 0.11 -1.88 1.61 0.87 -1.96 -3.47 113.55 108.83 1wha h SER 5 Ca 0.00 -0.85 -0.29 0.00 -1.23 0.00 0.00 61.79 59.42 1wha h SER 5 Cb 0.00 -0.04 0.16 0.00 -0.44 0.00 0.00 62.40 62.08 1wha h SER 5 CO 0.00 1.26 -0.71 -1.54 -0.53 0.00 0.00 176.83 175.31 1wha n SER 6 N -4.41 -2.80 -3.57 6.23 3.41 -1.26 -4.66 113.62 106.57 1wha n SER 6 Ca -0.18 -0.27 -0.25 0.00 -0.26 0.00 0.00 58.87 57.91 1wha n SER 6 Cb 0.63 -0.76 -0.16 0.00 -0.26 0.00 0.00 64.21 63.66 1wha n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wha s GLY 7 N -1.78 0.31 0.55 5.00 0.00 -0.19 -4.93 107.32 106.28 1wha s GLY 7 Ca 0.38 -0.41 -0.15 0.00 0.00 0.00 0.00 44.72 44.54 1wha s GLY 7 CO 0.42 1.92 1.00 0.50 0.00 0.00 0.00 173.10 176.94 1wha s ARG 8 N 2.17 3.80 0.39 2.90 0.52 -1.26 -2.44 118.95 125.02 1wha s ARG 8 Ca 0.05 0.95 0.05 0.00 -0.52 0.00 0.00 55.73 56.25 1wha s ARG 8 Cb -0.16 -2.11 -0.02 0.00 0.52 0.00 0.00 34.95 33.17 1wha s ARG 8 CO -0.17 -0.40 0.17 -1.01 0.02 0.00 0.00 175.30 173.91 1wha s HIS 9 N -2.71 1.76 -0.05 -0.53 3.76 -1.07 -4.98 115.29 111.46 1wha s HIS 9 Ca 0.59 -1.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.10 1wha s HIS 9 Cb -0.11 -1.03 0.03 0.00 1.11 0.00 0.00 32.58 32.58 1wha s HIS 9 CO 0.36 -0.46 0.01 0.54 -0.85 0.00 0.00 174.74 174.34 1wha s VAL 10 N -3.29 0.25 -0.10 -0.90 0.11 -1.26 -3.59 120.40 111.62 1wha s VAL 10 Ca 0.28 0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.50 1wha s VAL 10 Cb 0.02 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.49 1wha s VAL 10 CO 0.18 0.21 -0.16 0.00 -3.33 0.00 0.00 175.10 172.00 1wha s ALA 11 N 1.69 1.72 -0.23 1.54 0.00 -1.09 -5.00 121.76 120.38 1wha s ALA 11 Ca -0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 1wha s ALA 11 Cb -0.13 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.21 1wha s ALA 11 CO -0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 175.76 175.60 1wha s LEU 13 N 1.29 2.27 -0.30 0.00 1.43 -0.58 -4.94 118.68 117.85 1wha s LEU 13 Ca 0.00 -0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 52.26 1wha s LEU 13 Cb -0.16 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 1wha s LEU 13 CO -0.07 0.16 0.44 0.00 0.23 0.00 0.00 176.35 177.11 1wha s ALA 14 N -1.01 3.54 0.30 4.21 0.00 -1.26 -0.18 121.76 127.35 1wha s ALA 14 Ca 0.11 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 1wha s ALA 14 Cb -0.10 -2.84 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 1wha s ALA 14 CO 0.04 -0.86 1.19 0.50 0.00 0.00 0.00 175.76 176.63 1wha s ARG 15 N 2.20 4.52 -0.01 0.00 3.52 0.68 -4.87 118.95 124.98 1wha s ARG 15 Ca 0.17 1.98 0.04 0.00 -0.13 0.00 0.00 55.73 57.79 1wha s ARG 15 Cb -0.16 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1wha s ARG 15 CO 0.11 0.03 -0.12 0.45 -0.81 0.00 0.00 175.30 174.96 1wha s SER 16 N -0.68 1.46 0.33 -2.12 0.15 -1.26 -4.80 113.70 106.79 1wha s SER 16 Ca 0.47 -0.23 0.17 0.00 0.70 0.00 0.00 55.95 57.06 1wha s SER 16 Cb -0.35 -0.20 0.91 0.00 -1.71 0.00 0.00 66.02 64.67 1wha s SER 16 CO 0.46 0.14 1.45 1.21 1.20 0.00 0.00 173.24 177.70 1wha n GLU 17 N 2.85 0.11 0.11 5.44 2.13 -1.26 0.36 120.64 130.39 1wha n GLU 17 Ca -0.15 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1wha n GLU 17 Cb 0.55 -2.06 -0.02 0.00 0.27 0.00 0.00 31.44 30.19 1wha n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wha h ARG 18 N 0.00 0.00 0.00 5.31 2.47 -2.01 -3.48 114.38 116.67 1wha h ARG 18 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1wha h ARG 18 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1wha h ARG 18 CO 0.00 0.57 0.00 0.41 0.56 0.00 0.00 179.97 181.51 1wha n GLY 19 N 1.27 2.69 0.28 0.04 0.00 0.16 -4.99 105.19 104.64 1wha n GLY 19 Ca 0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 1wha n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wha n LEU 20 N 0.00 -0.72 0.00 0.99 4.77 -1.25 -4.78 117.00 116.02 1wha n LEU 20 Ca 0.00 1.26 0.00 0.00 -0.03 0.00 0.00 56.01 57.24 1wha n LEU 20 Cb 0.00 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1wha n LEU 20 CO 0.00 -1.01 0.00 0.61 -1.33 0.00 0.00 177.39 175.66 1wha n GLY 21 N -1.17 2.42 3.80 -0.72 0.00 -1.26 -4.75 105.19 103.51 1wha n GLY 21 Ca 0.01 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 1wha n GLY 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wha s PHE 22 N 0.00 3.23 0.37 1.61 -0.71 -1.26 -3.76 117.98 117.46 1wha s PHE 22 Ca 0.00 1.62 0.08 0.00 -1.04 0.00 0.00 56.93 57.60 1wha s PHE 22 Cb 0.00 -3.00 -0.06 0.00 -1.21 0.00 0.00 43.02 38.76 1wha s PHE 22 CO 0.00 -0.45 0.07 0.45 -1.34 0.00 0.00 175.22 173.96 1wha s SER 23 N -1.91 4.25 0.18 1.98 0.15 0.67 -4.93 113.70 114.08 1wha s SER 23 Ca 0.62 -1.06 0.11 0.00 0.70 0.00 0.00 55.95 56.32 1wha s SER 23 Cb -0.15 -0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 63.60 1wha s SER 23 CO 0.20 -0.37 -0.23 0.27 1.20 0.00 0.00 173.24 174.31 1wha s ILE 24 N -2.56 2.23 -0.14 6.45 -4.36 -1.26 -2.75 121.20 118.81 1wha s ILE 24 Ca 0.37 -1.98 -0.10 0.00 -0.26 0.00 0.00 60.65 58.68 1wha s ILE 24 Cb 0.02 -2.05 0.04 0.00 1.25 0.00 0.00 42.46 41.73 1wha s ILE 24 CO 0.20 -0.14 0.34 0.00 0.24 0.00 0.00 174.94 175.58 1wha s ALA 25 N -1.69 -0.84 0.00 2.27 0.00 0.39 -4.74 121.76 117.16 1wha s ALA 25 Ca 0.19 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1wha s ALA 25 Cb -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1wha s ALA 25 CO 0.09 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1wha n GLY 26 N 3.58 4.23 3.12 0.00 0.00 -0.96 -0.53 105.19 114.63 1wha n GLY 26 Ca -0.19 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 1wha n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wha n GLY 27 N 0.00 -3.11 3.68 -0.02 0.00 -1.11 -4.54 105.19 100.08 1wha n GLY 27 Ca 0.00 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 1wha n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wha s LYS 28 N -2.57 4.28 0.00 1.61 1.02 -1.26 -3.86 119.74 118.96 1wha s LYS 28 Ca 0.44 0.77 0.00 0.00 0.02 0.00 0.00 55.97 57.21 1wha s LYS 28 Cb -0.05 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1wha s LYS 28 CO 0.70 -0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.34 1wha n GLY 29 N 3.55 2.11 0.17 -3.33 0.00 -1.26 -3.20 105.19 103.23 1wha n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wha n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wha n SER 30 N 0.00 0.00 -3.65 1.61 7.64 -1.25 -5.08 113.62 112.89 1wha n SER 30 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1wha n SER 30 Cb 0.00 -0.17 -0.07 0.00 -1.01 0.00 0.00 64.21 62.96 1wha n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wha s THR 31 N -0.51 0.00 -0.94 0.44 2.01 -1.26 -5.08 115.64 110.30 1wha s THR 31 Ca 0.00 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 1wha s THR 31 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1wha s THR 31 CO 0.00 0.00 1.95 -2.16 -0.69 0.00 0.00 174.62 173.72 1wha s PRO 32 N 0.60 2.54 0.51 4.92 0.04 -1.26 -2.26 135.00 140.09 1wha s PRO 32 Ca -0.01 -0.42 0.44 0.00 0.04 0.00 0.00 61.00 61.06 1wha s PRO 32 Cb -0.04 -5.09 1.52 0.00 0.04 0.00 0.00 34.50 30.93 1wha s PRO 32 CO -0.12 -3.47 1.40 0.98 0.04 0.00 0.00 177.00 175.83 1wha n TYR 33 N 14.06 0.00 -3.79 0.56 9.36 -1.26 -4.22 117.16 131.87 1wha n TYR 33 Ca 0.41 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.50 1wha n TYR 33 Cb 0.47 -0.43 -0.11 0.00 -0.63 0.00 0.00 39.34 38.63 1wha n TYR 33 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1wha s ARG 34 N -4.65 0.36 -0.21 2.98 0.52 -1.26 -5.03 118.95 111.67 1wha s ARG 34 Ca -0.04 0.24 -0.36 0.00 -0.52 0.00 0.00 55.73 55.04 1wha s ARG 34 Cb 0.23 0.17 -0.13 0.00 0.52 0.00 0.00 34.95 35.75 1wha s ARG 34 CO 0.78 -0.06 1.91 0.00 0.02 0.00 0.00 175.30 177.96 1wha n ALA 35 N 2.63 0.60 -2.62 2.13 0.00 -1.26 -0.86 120.51 121.13 1wha n ALA 35 Ca -0.15 0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.45 1wha n ALA 35 Cb 0.58 -2.43 0.02 0.00 0.00 0.00 0.00 19.45 17.61 1wha n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 36 N 4.83 0.36 3.33 0.00 0.00 -1.26 -5.03 105.19 107.42 1wha n GLY 36 Ca 0.28 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1wha n GLY 36 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wha s ASP 37 N -2.97 4.31 -0.02 1.61 -4.77 -0.04 -4.96 116.67 109.83 1wha s ASP 37 Ca 0.13 -0.37 0.14 0.00 -3.30 0.00 0.00 52.55 49.15 1wha s ASP 37 Cb -0.06 -1.73 0.41 0.00 -1.09 0.00 0.00 42.92 40.46 1wha s ASP 37 CO 0.16 0.01 1.34 0.00 0.70 0.00 0.00 175.17 177.38 1wha n ALA 38 N 4.59 2.31 -2.09 2.11 0.00 -1.26 -4.81 120.51 121.36 1wha n ALA 38 Ca -0.18 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1wha n ALA 38 Cb 0.51 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1wha n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 39 N 0.72 2.40 2.71 0.00 0.00 -1.25 -4.22 105.19 105.54 1wha n GLY 39 Ca 0.16 -2.01 -0.20 0.00 0.00 0.00 0.00 46.02 43.96 1wha n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wha s ILE 40 N 2.09 0.03 0.15 -0.61 1.01 -1.26 -2.76 121.20 119.85 1wha s ILE 40 Ca 0.00 0.33 0.08 0.00 0.00 0.00 0.00 60.65 61.06 1wha s ILE 40 Cb 0.00 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 1wha s ILE 40 CO 0.00 0.19 -0.18 -0.36 0.00 0.00 0.00 174.94 174.59 1wha s PHE 41 N 2.01 1.77 -0.01 3.97 0.40 0.31 -0.29 117.98 126.14 1wha s PHE 41 Ca 0.04 -0.47 -0.30 0.00 -0.60 0.00 0.00 56.93 55.60 1wha s PHE 41 Cb -0.12 -0.91 -0.06 0.00 0.51 0.00 0.00 43.02 42.45 1wha s PHE 41 CO -0.03 0.28 1.48 0.08 0.70 0.00 0.00 175.22 177.73 1wha s VAL 42 N -1.86 3.63 -0.19 -0.44 1.01 -0.92 -0.46 120.40 121.17 1wha s VAL 42 Ca 0.13 0.96 0.12 0.00 0.00 0.00 0.00 61.98 63.19 1wha s VAL 42 Cb -0.07 -3.62 -0.23 0.00 0.00 0.00 0.00 36.38 32.47 1wha s VAL 42 CO 0.06 -0.02 0.11 -1.54 0.00 0.00 0.00 175.10 173.70 1wha n SER 43 N 5.84 0.71 -3.86 3.32 3.41 -1.11 -1.63 113.62 120.31 1wha n SER 43 Ca 0.14 0.04 -0.11 0.00 -0.26 0.00 0.00 58.87 58.69 1wha n SER 43 Cb 0.43 0.40 -0.09 0.00 -0.26 0.00 0.00 64.21 64.69 1wha n SER 43 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1wha s ARG 44 N -2.52 0.54 -0.02 4.33 3.00 -1.25 -4.95 118.95 118.09 1wha s ARG 44 Ca -0.16 -0.43 0.02 0.00 -1.00 0.00 0.00 55.73 54.16 1wha s ARG 44 Cb 0.07 0.23 0.00 0.00 0.00 0.00 0.00 34.95 35.25 1wha s ARG 44 CO 0.77 -0.14 -0.06 0.42 0.00 0.00 0.00 175.30 176.30 1wha s ILE 45 N -1.60 0.54 -0.37 4.11 1.01 -1.26 -0.24 121.20 123.39 1wha s ILE 45 Ca -0.13 -0.23 -0.27 0.00 0.00 0.00 0.00 60.65 60.02 1wha s ILE 45 Cb -0.06 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 1wha s ILE 45 CO 0.01 0.18 2.12 0.00 0.00 0.00 0.00 174.94 177.25 1wha s ALA 46 N 0.23 2.39 -0.04 9.38 0.00 -1.25 -4.84 121.76 127.64 1wha s ALA 46 Ca -0.03 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 1wha s ALA 46 Cb -0.07 -4.16 -0.05 0.00 0.00 0.00 0.00 23.12 18.83 1wha s ALA 46 CO -0.00 -3.35 1.57 -2.00 0.00 0.00 0.00 175.76 171.98 1wha s GLU 47 N 6.78 4.20 0.00 0.00 2.12 -1.26 -2.04 118.70 128.50 1wha s GLU 47 Ca 0.90 2.11 0.00 0.00 0.36 0.00 0.00 54.97 58.34 1wha s GLU 47 Cb -0.23 -3.85 0.00 0.00 0.26 0.00 0.00 34.13 30.31 1wha s GLU 47 CO 0.30 -0.78 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 1wha n GLY 48 N 3.98 2.69 0.00 -1.50 0.00 -1.26 -4.98 105.19 104.13 1wha n GLY 48 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1wha n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wha n GLY 49 N 0.00 -2.36 0.11 -0.02 0.00 -1.05 -4.49 105.19 97.37 1wha n GLY 49 Ca 0.00 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 1wha n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wha h ALA 50 N -2.00 0.14 -0.20 4.61 0.00 -1.85 -2.64 119.26 117.32 1wha h ALA 50 Ca 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 53.94 1wha h ALA 50 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1wha h ALA 50 CO 0.00 1.02 0.09 0.00 0.00 0.00 0.00 179.25 180.36 1wha h ALA 51 N 0.53 0.25 0.41 0.00 0.00 -1.85 -2.11 119.26 116.49 1wha h ALA 51 Ca -0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1wha h ALA 51 Cb 2.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1wha h ALA 51 CO 0.19 -0.18 -0.20 1.25 0.00 0.00 0.00 179.25 180.32 1wha h HIS 52 N 0.18 -0.51 -0.91 0.00 6.17 -1.54 -3.29 115.15 115.26 1wha h HIS 52 Ca 0.07 -0.01 0.17 0.00 0.71 0.00 0.00 60.37 61.30 1wha h HIS 52 Cb 0.13 0.17 -0.17 0.00 2.52 0.00 0.00 27.41 30.06 1wha h HIS 52 CO -0.02 -0.22 -0.28 0.00 0.71 0.00 0.00 177.93 178.12 1wha h ARG 53 N -1.06 -0.02 -0.86 5.26 3.08 -1.53 0.31 114.38 119.56 1wha h ARG 53 Ca -0.06 0.00 0.27 0.00 0.07 0.00 0.00 59.98 60.26 1wha h ARG 53 Cb 0.51 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.41 1wha h ARG 53 CO 0.09 -0.01 0.13 0.00 -1.07 0.00 0.00 179.97 179.11 1wha n ALA 54 N -3.46 0.55 0.00 0.04 0.00 -0.79 -4.75 120.51 112.09 1wha n ALA 54 Ca 0.12 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.47 1wha n ALA 54 Cb 0.44 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1wha n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wha n GLY 55 N -1.38 1.85 0.35 0.00 0.00 0.11 -4.68 105.19 101.44 1wha n GLY 55 Ca 0.23 -0.19 0.17 0.00 0.00 0.00 0.00 46.02 46.23 1wha n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wha h THR 56 N 0.00 0.58 -3.26 2.61 1.03 -1.85 -3.38 112.91 108.63 1wha h THR 56 Ca 0.00 -0.21 -0.55 0.00 -0.01 0.00 0.00 66.41 65.64 1wha h THR 56 Cb 0.00 -0.09 -0.02 0.00 -1.07 0.00 0.00 68.15 66.97 1wha h THR 56 CO 0.00 0.11 0.53 -0.76 -0.01 0.00 0.00 175.52 175.39 1wha s LEU 57 N -10.28 4.32 0.05 0.00 1.43 -1.26 -5.03 118.68 107.90 1wha s LEU 57 Ca -0.11 1.73 -0.02 0.00 -1.03 0.00 0.00 54.13 54.70 1wha s LEU 57 Cb 0.26 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 1wha s LEU 57 CO 0.80 -0.42 0.01 0.00 0.23 0.00 0.00 176.35 176.96 1wha s GLN 58 N 1.55 0.59 -0.09 1.70 0.00 -1.26 -4.84 119.66 117.31 1wha s GLN 58 Ca 0.53 -1.05 -0.30 0.00 -0.00 0.00 0.00 55.36 54.54 1wha s GLN 58 Cb -0.23 0.21 -0.04 0.00 0.00 0.00 0.00 33.01 32.96 1wha s GLN 58 CO 0.24 -0.12 1.38 0.08 0.00 0.00 0.00 175.29 176.87 1wha s VAL 59 N -3.41 3.98 0.00 3.63 1.01 -1.26 -3.20 120.40 121.14 1wha s VAL 59 Ca 0.02 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1wha s VAL 59 Cb 0.04 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1wha s VAL 59 CO -0.08 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1wha n GLY 60 N 3.72 1.76 3.62 4.51 0.00 -0.64 -4.97 105.19 113.19 1wha n GLY 60 Ca 0.14 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1wha n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wha n ASP 61 N 0.00 0.45 -4.78 1.61 9.92 -1.19 -4.60 116.55 117.95 1wha n ASP 61 Ca 0.00 0.65 -0.33 0.00 -0.53 0.00 0.00 54.79 54.58 1wha n ASP 61 Cb 0.00 -1.41 -0.07 0.00 -0.64 0.00 0.00 41.12 39.00 1wha n ASP 61 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1wha s ARG 62 N -3.41 3.06 -0.47 -1.24 3.52 -1.26 -2.17 118.95 116.98 1wha s ARG 62 Ca 0.73 -0.50 -0.14 0.00 -0.13 0.00 0.00 55.73 55.68 1wha s ARG 62 Cb -0.34 -2.85 0.08 0.00 -1.56 0.00 0.00 34.95 30.28 1wha s ARG 62 CO 0.51 0.64 0.38 0.08 -0.81 0.00 0.00 175.30 176.10 1wha s VAL 63 N -1.22 5.04 0.00 7.11 1.01 0.60 -2.86 120.40 130.10 1wha s VAL 63 Ca 0.24 -1.19 -0.25 0.00 0.00 0.00 0.00 61.98 60.78 1wha s VAL 63 Cb -0.12 -4.05 -0.17 0.00 0.00 0.00 0.00 36.38 32.04 1wha s VAL 63 CO 0.15 -0.60 1.23 -0.07 0.00 0.00 0.00 175.10 175.80 1wha h LEU 64 N 8.71 -0.28 -8.05 3.92 3.38 -1.16 -3.38 115.31 118.45 1wha h LEU 64 Ca -0.28 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.32 1wha h LEU 64 Cb 1.10 0.07 -0.19 0.00 0.09 0.00 0.00 40.66 41.73 1wha h LEU 64 CO 0.88 0.10 -0.69 -0.44 0.09 0.00 0.00 178.44 178.37 1wha s SER 65 N -5.19 0.31 -0.03 -0.43 0.01 -1.25 -1.09 113.70 106.03 1wha s SER 65 Ca -0.14 -0.63 0.04 0.00 1.31 0.00 0.00 55.95 56.52 1wha s SER 65 Cb 0.02 0.13 -0.00 0.00 0.21 0.00 0.00 66.02 66.37 1wha s SER 65 CO 0.56 -0.38 -0.15 -0.63 0.41 0.00 0.00 173.24 173.05 1wha s ILE 66 N -2.11 1.24 -1.74 1.44 1.01 0.31 -1.64 121.20 119.71 1wha s ILE 66 Ca -0.10 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 1wha s ILE 66 Cb -0.05 -1.07 0.14 0.00 0.01 0.00 0.00 42.46 41.49 1wha s ILE 66 CO -0.03 0.36 0.38 0.59 0.00 0.00 0.00 174.94 176.24 1wha n ASN 67 N 3.13 -0.82 -2.40 3.58 3.02 -0.09 -0.97 115.26 120.70 1wha n ASN 67 Ca -0.18 -1.24 -0.09 0.00 -0.03 0.00 0.00 54.58 53.04 1wha n ASN 67 Cb 0.53 -1.69 0.04 0.00 -0.61 0.00 0.00 39.78 38.06 1wha n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wha n GLY 68 N -1.67 -0.14 3.58 7.41 0.00 -1.26 -5.02 105.19 108.10 1wha n GLY 68 Ca -0.06 0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1wha n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wha s VAL 69 N -3.21 -0.57 -0.40 1.61 1.01 -0.15 -5.11 120.40 113.58 1wha s VAL 69 Ca 0.16 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.89 1wha s VAL 69 Cb -0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1wha s VAL 69 CO 0.40 0.01 1.80 -0.62 0.00 0.00 0.00 175.10 176.69 1wha s ASP 70 N 2.36 5.76 -0.18 3.32 2.15 -1.26 -0.53 116.67 128.29 1wha s ASP 70 Ca -0.07 1.07 0.13 0.00 0.43 0.00 0.00 52.55 54.11 1wha s ASP 70 Cb -0.09 -2.53 0.40 0.00 -0.30 0.00 0.00 42.92 40.40 1wha s ASP 70 CO -0.18 -1.86 1.21 1.33 -0.17 0.00 0.00 175.17 175.50 1wha n VAL 71 N 7.36 2.01 -0.09 1.11 0.24 -0.25 -4.74 118.33 123.98 1wha n VAL 71 Ca 0.22 -2.95 0.08 0.00 -2.04 0.00 0.00 64.34 59.66 1wha n VAL 71 Cb 0.48 -0.15 0.44 0.00 -1.47 0.00 0.00 33.84 33.13 1wha n VAL 71 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1wha h THR 72 N 1.31 0.99 0.00 3.34 1.35 -1.52 -2.94 112.91 115.44 1wha h THR 72 Ca -0.01 -0.19 -0.07 0.00 -0.55 0.00 0.00 66.41 65.59 1wha h THR 72 Cb 1.06 0.39 -0.14 0.00 -1.73 0.00 0.00 68.15 67.73 1wha h THR 72 CO 0.01 0.10 -0.62 -0.62 -0.25 0.00 0.00 175.52 174.14 1wha n GLU 73 N -4.48 0.60 -1.90 4.72 1.02 -1.26 -3.88 120.64 115.46 1wha n GLU 73 Ca 0.08 -2.19 -0.30 0.00 -0.02 0.00 0.00 57.16 54.73 1wha n GLU 73 Cb 0.25 -0.76 0.02 0.00 -0.02 0.00 0.00 31.44 30.93 1wha n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wha s ALA 74 N -1.27 3.03 0.63 0.62 0.00 -1.11 -4.96 121.76 118.70 1wha s ALA 74 Ca 0.27 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 1wha s ALA 74 Cb 0.28 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 1wha s ALA 74 CO -0.07 -0.86 1.04 1.03 0.00 0.00 0.00 175.76 176.90 1wha s ARG 75 N -5.24 3.29 0.08 0.00 0.52 -1.26 -4.41 118.95 111.93 1wha s ARG 75 Ca 0.56 1.02 -0.22 0.00 -0.52 0.00 0.00 55.73 56.57 1wha s ARG 75 Cb -0.11 -2.04 -0.08 0.00 0.52 0.00 0.00 34.95 33.24 1wha s ARG 75 CO 0.53 -0.82 1.35 1.25 0.02 0.00 0.00 175.30 177.63 1wha h HIS 76 N -0.04 -1.06 -0.53 -0.53 -0.00 -1.75 0.85 115.15 112.09 1wha h HIS 76 Ca -0.45 0.04 0.13 0.00 -0.00 0.00 0.00 60.37 60.09 1wha h HIS 76 Cb 1.21 0.48 -0.03 0.00 -0.00 0.00 0.00 27.41 29.07 1wha h HIS 76 CO 0.62 -0.35 0.37 -0.44 -0.00 0.00 0.00 177.93 178.13 1wha h ASP 77 N -0.36 0.13 0.50 3.26 3.32 -1.94 -0.13 116.42 121.21 1wha h ASP 77 Ca 0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1wha h ASP 77 Cb 0.43 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1wha h ASP 77 CO -0.30 0.08 -0.24 -0.74 -1.72 0.00 0.00 179.24 176.31 1wha h HIS 78 N 0.14 -0.63 -0.29 4.55 2.76 -1.30 0.10 115.15 120.50 1wha h HIS 78 Ca 0.25 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 1wha h HIS 78 Cb 0.80 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.95 1wha h HIS 78 CO -0.00 -0.33 -0.10 0.00 -1.30 0.00 0.00 177.93 176.21 1wha h ALA 79 N -0.40 1.31 -0.57 5.26 0.00 -0.37 -2.83 119.26 121.65 1wha h ALA 79 Ca -0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1wha h ALA 79 Cb 0.58 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1wha h ALA 79 CO 0.11 0.46 -0.03 0.28 0.00 0.00 0.00 179.25 180.08 1wha h VAL 80 N 0.44 1.27 -1.17 0.00 2.07 -0.93 -2.81 116.25 115.12 1wha h VAL 80 Ca 0.09 -1.17 0.34 0.00 0.82 0.00 0.00 66.70 66.78 1wha h VAL 80 Cb 0.44 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1wha h VAL 80 CO 0.02 0.42 1.10 -1.28 0.02 0.00 0.00 177.57 177.85 1wha h SER 81 N 0.91 0.00 0.40 0.57 0.87 -0.70 1.57 113.55 117.17 1wha h SER 81 Ca 0.16 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.41 1wha h SER 81 Cb 0.58 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 1wha h SER 81 CO 0.03 0.00 -1.76 -0.07 -0.53 0.00 0.00 176.83 174.51 1wha h LEU 82 N 0.00 0.14 0.14 2.23 3.38 -1.63 -2.82 115.31 116.74 1wha h LEU 82 Ca 0.56 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1wha h LEU 82 Cb 2.75 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 43.45 1wha h LEU 82 CO -0.01 1.27 -0.07 -0.07 0.09 0.00 0.00 178.44 179.66 1wha h LEU 83 N 0.03 -0.16 -0.08 1.67 3.38 0.21 -3.21 115.31 117.14 1wha h LEU 83 Ca -0.31 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1wha h LEU 83 Cb 2.01 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1wha h LEU 83 CO 0.09 0.42 -0.01 0.35 0.09 0.00 0.00 178.44 179.38 1wha n THR 84 N -4.90 0.00 -1.00 0.22 -2.24 0.65 -4.91 114.28 102.10 1wha n THR 84 Ca -0.08 -0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.33 1wha n THR 84 Cb 0.27 -0.41 0.09 0.00 -2.10 0.00 0.00 70.33 68.18 1wha n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wha n ALA 85 N -0.97 -2.64 -1.00 6.98 0.00 -1.07 -4.76 120.51 117.06 1wha n ALA 85 Ca 0.21 -0.47 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 1wha n ALA 85 Cb 0.16 -1.71 -0.07 0.00 0.00 0.00 0.00 19.45 17.83 1wha n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wha n ALA 86 N -2.95 6.12 -2.57 0.00 0.00 -1.26 -4.83 120.51 115.01 1wha n ALA 86 Ca 0.07 -2.41 -0.22 0.00 0.00 0.00 0.00 53.44 50.87 1wha n ALA 86 Cb 0.52 -2.89 -0.15 0.00 0.00 0.00 0.00 19.45 16.94 1wha n ALA 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wha s SER 87 N 2.46 1.67 0.09 0.00 1.04 -1.26 -5.05 113.70 112.66 1wha s SER 87 Ca 0.57 -0.28 -0.15 0.00 0.48 0.00 0.00 55.95 56.57 1wha s SER 87 Cb 0.19 -0.18 -0.09 0.00 0.10 0.00 0.00 66.02 66.05 1wha s SER 87 CO -0.03 0.16 1.41 1.55 0.98 0.00 0.00 173.24 177.31 1wha h PRO 88 N 5.68 0.66 -5.95 4.02 0.13 -1.88 -3.40 132.00 131.27 1wha h PRO 88 Ca -0.35 -0.35 -0.64 0.00 -0.87 0.00 0.00 66.00 63.79 1wha h PRO 88 Cb 1.16 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 1wha h PRO 88 CO 0.48 0.96 -0.54 0.95 -0.23 0.00 0.00 178.00 179.62 1wha s THR 89 N -4.36 5.07 -0.18 1.56 -4.23 -1.26 -0.23 115.64 112.01 1wha s THR 89 Ca -0.13 -0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 59.96 1wha s THR 89 Cb 0.08 -3.39 0.07 0.00 1.34 0.00 0.00 72.50 70.61 1wha s THR 89 CO 0.82 0.26 0.13 -0.63 -0.54 0.00 0.00 174.62 174.66 1wha s ILE 90 N -1.33 -0.16 0.19 2.99 1.01 0.74 -4.85 121.20 119.79 1wha s ILE 90 Ca 0.28 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 1wha s ILE 90 Cb -0.12 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 1wha s ILE 90 CO 0.20 -0.26 0.43 0.00 0.00 0.00 0.00 174.94 175.31 1wha s ALA 91 N 2.20 3.74 0.05 9.38 0.00 -1.26 -1.52 121.76 134.35 1wha s ALA 91 Ca 0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1wha s ALA 91 Cb -0.16 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1wha s ALA 91 CO -0.10 0.55 0.00 -0.51 0.00 0.00 0.00 175.76 175.70 1wha s LEU 92 N -2.92 2.33 -0.22 0.00 1.43 -0.33 -0.92 118.68 118.06 1wha s LEU 92 Ca 0.42 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1wha s LEU 92 Cb -0.12 0.31 0.06 0.00 0.03 0.00 0.00 46.19 46.47 1wha s LEU 92 CO 0.26 -0.60 -0.04 -0.22 0.23 0.00 0.00 176.35 175.97 1wha s LEU 93 N -2.84 2.22 0.35 1.79 2.96 -0.65 -2.69 118.68 119.83 1wha s LEU 93 Ca 0.06 -1.03 0.04 0.00 -0.22 0.00 0.00 54.13 52.97 1wha s LEU 93 Cb 0.07 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.68 1wha s LEU 93 CO -0.10 -0.23 0.52 -0.76 -1.32 0.00 0.00 176.35 174.46 1wha s LEU 94 N 1.49 3.93 -0.07 -0.68 1.43 -1.24 -0.58 118.68 122.97 1wha s LEU 94 Ca -0.04 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1wha s LEU 94 Cb -0.18 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.14 1wha s LEU 94 CO -0.07 -0.45 -0.10 -0.70 0.23 0.00 0.00 176.35 175.27 1wha s GLU 95 N -4.26 1.48 -0.11 1.70 -6.30 -1.13 -2.61 118.70 107.46 1wha s GLU 95 Ca 0.44 -0.31 0.01 0.00 -2.50 0.00 0.00 54.97 52.61 1wha s GLU 95 Cb -0.10 -1.33 -0.02 0.00 0.00 0.00 0.00 34.13 32.68 1wha s GLU 95 CO 0.33 -0.06 -0.13 0.50 0.02 0.00 0.00 175.26 175.92 1wha s ARG 96 N 0.97 3.15 -0.18 4.30 3.52 -1.02 -4.41 118.95 125.26 1wha s ARG 96 Ca -0.09 -0.68 -0.18 0.00 -0.13 0.00 0.00 55.73 54.65 1wha s ARG 96 Cb -0.15 -2.58 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 1wha s ARG 96 CO 0.00 0.34 0.49 -1.21 -0.81 0.00 0.00 175.30 174.11 1wha s GLU 97 N 0.03 4.22 -0.41 5.12 2.02 -1.26 -1.02 118.70 127.40 1wha s GLU 97 Ca -0.04 0.38 -0.04 0.00 0.02 0.00 0.00 54.97 55.29 1wha s GLU 97 Cb -0.14 -3.53 0.11 0.00 0.10 0.00 0.00 34.13 30.66 1wha s GLU 97 CO 0.04 -0.06 0.21 0.00 0.02 0.00 0.00 175.26 175.47 1wha s ALA 98 N 1.36 3.17 0.09 5.21 0.00 -1.26 -4.74 121.76 125.59 1wha s ALA 98 Ca 0.23 -2.47 0.00 0.00 0.00 0.00 0.00 51.96 49.73 1wha s ALA 98 Cb -0.15 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1wha s ALA 98 CO 0.09 -1.77 0.00 0.41 0.00 0.00 0.00 175.76 174.49 1wha n GLY 99 N 4.66 -1.04 3.94 0.00 0.00 -1.26 -4.78 105.19 106.71 1wha n GLY 99 Ca -0.04 0.35 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 1wha n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wha s SER 100 N -2.00 4.56 0.00 1.61 1.04 -1.26 -5.00 113.70 112.65 1wha s SER 100 Ca 0.00 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1wha s SER 100 Cb 0.00 -0.90 0.00 0.00 0.10 0.00 0.00 66.02 65.22 1wha s SER 100 CO 0.00 -1.76 0.00 0.61 0.98 0.00 0.00 173.24 173.07 1wha n GLY 101 N -3.01 -2.11 3.66 7.32 0.00 -1.26 -5.12 105.19 104.67 1wha n GLY 101 Ca 0.10 0.81 -0.42 0.00 0.00 0.00 0.00 46.02 46.50 1wha n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wha s PRO 102 N 0.33 4.21 -0.08 1.61 0.04 -1.26 -4.89 135.00 134.97 1wha s PRO 102 Ca 0.00 2.01 0.19 0.00 0.04 0.00 0.00 61.00 63.24 1wha s PRO 102 Cb 0.00 -3.87 -0.28 0.00 0.04 0.00 0.00 34.50 30.40 1wha s PRO 102 CO 0.00 -0.77 0.31 -1.13 0.04 0.00 0.00 177.00 175.45 1wha n SER 103 N 6.74 0.52 -3.92 6.66 3.41 -1.26 -4.97 113.62 120.81 1wha n SER 103 Ca 0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.64 1wha n SER 103 Cb 0.43 1.59 -0.14 0.00 -0.26 0.00 0.00 64.21 65.83 1wha n SER 103 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wha s SER 104 N -4.57 0.27 0.00 4.04 0.15 -1.26 -5.34 113.70 106.98 1wha s SER 104 Ca -0.08 -0.09 0.30 0.00 0.70 0.00 0.00 55.95 56.78 1wha s SER 104 Cb 0.10 -0.02 1.46 0.00 -1.71 0.00 0.00 66.02 65.86 1wha s SER 104 CO 0.79 -0.01 1.98 0.61 1.20 0.00 0.00 173.24 177.81