#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eny s SER 2 N 0.00 -0.43 0.37 1.61 0.01 -1.26 -5.18 113.70 108.82 2eny s SER 2 Ca 0.00 0.55 0.04 0.00 1.31 0.00 0.00 55.95 57.85 2eny s SER 2 Cb 0.00 0.59 -0.05 0.00 0.21 0.00 0.00 66.02 66.77 2eny s SER 2 CO 0.00 -0.42 0.07 -0.44 0.41 0.00 0.00 173.24 172.86 2eny s SER 3 N -0.83 2.75 0.00 2.44 0.01 -1.26 -4.79 113.70 112.02 2eny s SER 3 Ca -0.09 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.67 2eny s SER 3 Cb -0.03 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.35 2eny s SER 3 CO 0.05 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.58 2eny n GLY 4 N -0.83 2.99 0.06 3.44 0.00 -1.26 -4.79 105.19 104.80 2eny n GLY 4 Ca -0.05 -0.81 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 2eny n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2eny h SER 5 N 0.00 0.00 -0.20 1.61 0.87 -2.05 -3.38 113.55 110.40 2eny h SER 5 Ca 0.00 -0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2eny h SER 5 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 2eny h SER 5 CO 0.00 0.67 -0.14 0.77 -0.53 0.00 0.00 176.83 177.60 2eny h SER 6 N -1.00 -0.47 0.00 6.23 4.64 -1.86 -3.44 113.55 117.65 2eny h SER 6 Ca -0.02 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2eny h SER 6 Cb 0.31 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2eny h SER 6 CO -0.01 -0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.38 2eny n GLY 7 N -1.30 1.03 3.58 -0.77 0.00 -1.26 -4.43 105.19 102.04 2eny n GLY 7 Ca -0.02 0.56 -0.41 0.00 0.00 0.00 0.00 46.02 46.15 2eny n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2eny s HIS 8 N 0.00 1.81 -0.16 1.61 0.09 -1.26 -4.97 115.29 112.41 2eny s HIS 8 Ca 0.00 0.70 -0.02 0.00 -0.00 0.00 0.00 55.06 55.74 2eny s HIS 8 Cb 0.00 -4.13 -0.02 0.00 -0.00 0.00 0.00 32.58 28.44 2eny s HIS 8 CO 0.00 -2.62 -0.08 0.54 -0.00 0.00 0.00 174.74 172.59 2eny s VAL 9 N 7.57 3.43 0.31 -0.90 0.11 -1.26 -5.10 120.40 124.55 2eny s VAL 9 Ca 0.74 -0.51 -0.05 0.00 -2.93 0.00 0.00 61.98 59.22 2eny s VAL 9 Cb -0.18 -2.49 -0.00 0.00 -1.53 0.00 0.00 36.38 32.18 2eny s VAL 9 CO 0.29 0.49 0.46 -0.83 -3.33 0.00 0.00 175.10 172.18 2eny s GLY 10 N 0.63 1.23 -0.06 6.54 0.00 -1.26 -5.02 107.32 109.38 2eny s GLY 10 Ca -0.04 -1.36 -0.35 0.00 0.00 0.00 0.00 44.72 42.96 2eny s GLY 10 CO 0.03 -0.92 1.77 1.39 0.00 0.00 0.00 173.10 175.36 2eny n ILE 11 N -0.50 0.39 0.01 0.90 -0.00 -1.26 -2.73 119.36 116.17 2eny n ILE 11 Ca 0.00 -0.07 -0.06 0.00 -0.00 0.00 0.00 62.75 62.62 2eny n ILE 11 Cb 0.62 -1.64 -0.11 0.00 -0.00 0.00 0.00 39.64 38.50 2eny n ILE 11 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2eny h THR 12 N 4.93 0.94 -2.33 1.39 1.03 -1.74 -3.39 112.91 113.74 2eny h THR 12 Ca -0.47 -2.66 -0.64 0.00 -0.01 0.00 0.00 66.41 62.62 2eny h THR 12 Cb 1.28 2.42 -0.39 0.00 -1.07 0.00 0.00 68.15 70.39 2eny h THR 12 CO 0.93 0.53 -0.31 1.17 -0.01 0.00 0.00 175.52 177.83 2eny n LYS 13 N -3.08 3.00 -1.12 0.00 4.81 -0.90 -5.03 118.16 115.85 2eny n LYS 13 Ca -0.11 -4.67 -0.36 0.00 -0.87 0.00 0.00 58.31 52.29 2eny n LYS 13 Cb 0.97 -2.31 -0.00 0.00 0.02 0.00 0.00 35.03 33.71 2eny n LYS 13 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2eny n ARG 14 N 0.82 0.00 -1.01 1.64 1.85 -1.26 -4.03 116.66 114.67 2eny n ARG 14 Ca 0.30 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.82 2eny n ARG 14 Cb 0.39 -0.85 0.14 0.00 -1.05 0.00 0.00 32.46 31.09 2eny n ARG 14 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2eny s LEU 15 N 3.59 3.06 -0.03 2.89 1.43 -1.26 -4.97 118.68 123.39 2eny s LEU 15 Ca 0.51 2.30 0.05 0.00 -1.03 0.00 0.00 54.13 55.96 2eny s LEU 15 Cb -0.57 -4.58 -0.01 0.00 0.03 0.00 0.00 46.19 41.06 2eny s LEU 15 CO 0.53 -2.77 -0.18 -0.75 0.23 0.00 0.00 176.35 173.41 2eny s LYS 16 N -4.30 1.64 0.34 1.70 2.20 -1.26 -4.94 119.74 115.12 2eny s LYS 16 Ca 0.71 -0.65 -0.28 0.00 -0.36 0.00 0.00 55.97 55.38 2eny s LYS 16 Cb -0.27 -1.51 -0.12 0.00 -1.51 0.00 0.00 37.83 34.42 2eny s LYS 16 CO 0.53 0.34 1.39 2.41 -0.36 0.00 0.00 175.35 179.65 2eny n THR 17 N 2.83 1.86 -3.88 3.43 -1.04 -1.26 -4.77 114.28 111.45 2eny n THR 17 Ca -0.16 -0.47 -0.23 0.00 -2.04 0.00 0.00 64.05 61.15 2eny n THR 17 Cb 0.53 -1.73 -0.17 0.00 -1.82 0.00 0.00 70.33 67.14 2eny n THR 17 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2eny s MET 18 N -1.77 0.84 -0.12 -2.82 -1.94 -0.94 -5.00 119.30 107.55 2eny s MET 18 Ca 0.56 -0.01 -0.02 0.00 -1.71 0.00 0.00 55.69 54.52 2eny s MET 18 Cb -0.54 -1.07 -0.03 0.00 2.01 0.00 0.00 34.83 35.21 2eny s MET 18 CO 0.61 -0.25 -0.05 -2.00 -0.01 0.00 0.00 175.02 173.32 2eny s GLU 19 N 1.71 3.30 0.18 2.03 -6.30 -1.26 -2.58 118.70 115.78 2eny s GLU 19 Ca 0.02 -0.53 -0.08 0.00 -2.50 0.00 0.00 54.97 51.88 2eny s GLU 19 Cb -0.13 -2.78 -0.01 0.00 0.00 0.00 0.00 34.13 31.20 2eny s GLU 19 CO -0.05 0.42 0.27 0.14 0.02 0.00 0.00 175.26 176.07 2eny s VAL 20 N -0.14 0.05 0.12 3.70 -7.23 -0.73 -4.98 120.40 111.19 2eny s VAL 20 Ca 0.02 -1.52 -0.21 0.00 -1.81 0.00 0.00 61.98 58.46 2eny s VAL 20 Cb -0.13 -2.00 -0.07 0.00 0.56 0.00 0.00 36.38 34.74 2eny s VAL 20 CO 0.03 -0.23 0.65 -0.22 -0.31 0.00 0.00 175.10 175.02 2eny s LEU 21 N -3.01 4.54 -0.35 1.32 1.98 -1.26 -3.36 118.68 118.54 2eny s LEU 21 Ca 0.21 1.40 -0.42 0.00 -2.89 0.00 0.00 54.13 52.44 2eny s LEU 21 Cb 0.04 -3.08 -0.17 0.00 0.66 0.00 0.00 46.19 43.63 2eny s LEU 21 CO 0.03 0.24 1.75 1.21 -1.89 0.00 0.00 176.35 177.69 2eny n GLU 22 N 1.60 0.79 0.00 1.98 2.13 0.10 -0.48 120.64 126.76 2eny n GLU 22 Ca -0.08 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.02 2eny n GLU 22 Cb 0.50 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.27 2eny n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2eny n GLY 23 N 4.42 2.31 2.37 8.31 0.00 -0.99 -4.68 105.19 116.94 2eny n GLY 23 Ca 0.30 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 2eny n GLY 23 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2eny n GLU 24 N 0.00 -3.98 -3.89 1.61 1.02 0.36 -4.07 120.64 111.69 2eny n GLU 24 Ca 0.00 -1.05 -0.22 0.00 -0.02 0.00 0.00 57.16 55.86 2eny n GLU 24 Cb 0.00 -1.40 -0.17 0.00 -0.02 0.00 0.00 31.44 29.85 2eny n GLU 24 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2eny s SER 25 N -2.76 1.40 0.47 1.62 1.04 -1.26 -3.00 113.70 111.21 2eny s SER 25 Ca 0.48 -0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.85 2eny s SER 25 Cb -0.09 -0.46 -0.03 0.00 0.10 0.00 0.00 66.02 65.55 2eny s SER 25 CO 0.41 -0.15 0.13 0.00 0.98 0.00 0.00 173.24 174.61 2eny s SER 27 N -3.92 0.52 -0.43 0.00 1.04 -1.26 -0.61 113.70 109.03 2eny s SER 27 Ca 0.27 0.31 -0.17 0.00 0.48 0.00 0.00 55.95 56.84 2eny s SER 27 Cb 0.03 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.42 2eny s SER 27 CO 0.15 -0.22 0.45 -0.36 0.98 0.00 0.00 173.24 174.24 2eny s PHE 28 N 1.97 3.16 -0.01 5.02 0.08 -1.21 -4.93 117.98 122.06 2eny s PHE 28 Ca -0.00 -0.43 -0.17 0.00 0.12 0.00 0.00 56.93 56.45 2eny s PHE 28 Cb -0.12 -2.96 -0.06 0.00 -0.57 0.00 0.00 43.02 39.31 2eny s PHE 28 CO -0.06 -0.74 0.48 -1.21 -0.10 0.00 0.00 175.22 173.60 2eny s GLU 29 N 2.14 4.14 -0.06 0.44 2.02 -1.26 -3.01 118.70 123.11 2eny s GLU 29 Ca 0.12 0.53 -0.03 0.00 0.02 0.00 0.00 54.97 55.62 2eny s GLU 29 Cb -0.18 -3.29 0.04 0.00 0.10 0.00 0.00 34.13 30.80 2eny s GLU 29 CO 0.13 0.51 0.12 0.00 0.02 0.00 0.00 175.26 176.03 2eny s VAL 31 N 2.09 3.29 0.17 0.00 1.01 -1.26 -1.85 120.40 123.85 2eny s VAL 31 Ca 0.02 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2eny s VAL 31 Cb -0.12 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2eny s VAL 31 CO -0.05 0.56 0.20 -0.76 0.00 0.00 0.00 175.10 175.06 2eny s LEU 32 N -0.28 4.02 0.18 3.92 1.43 -1.26 -2.12 118.68 124.56 2eny s LEU 32 Ca 0.03 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 2eny s LEU 32 Cb -0.13 -2.60 0.15 0.00 0.03 0.00 0.00 46.19 43.64 2eny s LEU 32 CO 0.03 0.05 1.75 -1.28 0.23 0.00 0.00 176.35 177.13 2eny h SER 33 N 2.18 0.19 -3.39 2.29 0.87 -1.83 -3.39 113.55 110.46 2eny h SER 33 Ca -0.48 0.05 -0.66 0.00 -1.23 0.00 0.00 61.79 59.47 2eny h SER 33 Cb 1.20 0.03 -0.27 0.00 -0.44 0.00 0.00 62.40 62.92 2eny h SER 33 CO 0.65 0.14 -0.72 -2.28 -0.53 0.00 0.00 176.83 174.08 2eny s HIS 34 N -6.13 2.95 -0.26 2.24 5.65 -1.26 -5.02 115.29 113.45 2eny s HIS 34 Ca -0.13 -0.90 -0.39 0.00 0.25 0.00 0.00 55.06 53.89 2eny s HIS 34 Cb 0.14 -2.09 -0.15 0.00 -1.18 0.00 0.00 32.58 29.31 2eny s HIS 34 CO 0.73 -0.51 1.79 -0.85 -0.65 0.00 0.00 174.74 175.25 2eny n GLU 35 N 4.69 1.30 -1.43 2.88 0.28 -1.26 -4.83 120.64 122.26 2eny n GLU 35 Ca -0.18 0.47 -0.30 0.00 -0.16 0.00 0.00 57.16 56.99 2eny n GLU 35 Cb 0.51 -2.20 0.02 0.00 1.43 0.00 0.00 31.44 31.20 2eny n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2eny n SER 36 N 5.80 7.03 -0.21 -1.84 3.41 -1.26 -4.65 113.62 121.90 2eny n SER 36 Ca 0.27 -3.47 -0.02 0.00 -0.26 0.00 0.00 58.87 55.39 2eny n SER 36 Cb 0.16 -1.10 0.09 0.00 -0.26 0.00 0.00 64.21 63.10 2eny n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2eny h ALA 37 N 2.44 0.81 0.19 7.33 0.00 -1.99 -3.16 119.26 124.88 2eny h ALA 37 Ca 0.47 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 2eny h ALA 37 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2eny h ALA 37 CO 1.16 -0.07 -0.09 1.03 0.00 0.00 0.00 179.25 181.28 2eny h SER 38 N 0.54 -0.22 -2.98 0.00 0.87 -2.01 -3.44 113.55 106.32 2eny h SER 38 Ca 0.29 -0.16 -0.53 0.00 -1.23 0.00 0.00 61.79 60.16 2eny h SER 38 Cb 0.25 0.06 0.04 0.00 -0.44 0.00 0.00 62.40 62.31 2eny h SER 38 CO -0.22 0.31 0.83 -1.81 -0.53 0.00 0.00 176.83 175.41 2eny s ASP 39 N -5.35 6.63 0.95 6.23 1.11 -1.19 -4.99 116.67 120.05 2eny s ASP 39 Ca -0.08 2.59 -0.12 0.00 0.18 0.00 0.00 52.55 55.13 2eny s ASP 39 Cb 0.00 -2.60 0.16 0.00 1.07 0.00 0.00 42.92 41.55 2eny s ASP 39 CO 0.27 -0.77 1.09 -2.16 1.18 0.00 0.00 175.17 174.77 2eny s PRO 40 N 0.78 0.86 0.17 8.23 0.04 -1.26 -4.79 135.00 139.02 2eny s PRO 40 Ca 0.67 0.68 0.09 0.00 0.04 0.00 0.00 61.00 62.48 2eny s PRO 40 Cb -0.42 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 2eny s PRO 40 CO 0.34 -2.48 -0.19 0.00 0.04 0.00 0.00 177.00 174.71 2eny s ALA 41 N -2.95 2.09 -0.09 8.56 0.00 -1.26 -3.79 121.76 124.32 2eny s ALA 41 Ca 0.64 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 51.09 2eny s ALA 41 Cb -0.18 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.75 2eny s ALA 41 CO 0.57 0.25 -0.12 1.41 0.00 0.00 0.00 175.76 177.88 2eny s MET 42 N -2.84 1.77 -0.16 0.00 1.75 -0.32 -5.02 119.30 114.48 2eny s MET 42 Ca 0.17 -0.40 -0.05 0.00 -1.25 0.00 0.00 55.69 54.16 2eny s MET 42 Cb -0.06 -1.57 -0.03 0.00 2.84 0.00 0.00 34.83 36.02 2eny s MET 42 CO 0.07 -0.07 -0.01 -1.58 -0.65 0.00 0.00 175.02 172.77 2eny s TRP 43 N 1.02 3.07 -0.02 4.11 0.52 -1.26 -1.78 118.94 124.61 2eny s TRP 43 Ca -0.07 -0.24 0.00 0.00 0.02 0.00 0.00 56.10 55.80 2eny s TRP 43 Cb -0.15 -1.99 0.02 0.00 -1.15 0.00 0.00 33.47 30.20 2eny s TRP 43 CO -0.01 -0.02 0.01 0.95 0.02 0.00 0.00 176.95 177.90 2eny s THR 44 N 0.43 0.04 -0.05 2.01 -4.23 -0.21 -0.77 115.64 112.86 2eny s THR 44 Ca -0.02 0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.57 2eny s THR 44 Cb -0.14 -0.12 0.04 0.00 1.34 0.00 0.00 72.50 73.61 2eny s THR 44 CO 0.02 0.08 0.09 0.54 -0.54 0.00 0.00 174.62 174.82 2eny s VAL 45 N 0.70 -0.14 0.00 2.29 0.11 -1.23 -0.78 120.40 121.35 2eny s VAL 45 Ca -0.06 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2eny s VAL 45 Cb -0.09 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 2eny s VAL 45 CO -0.02 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 2eny n GLY 46 N 4.95 1.36 0.00 6.54 0.00 -1.06 -3.69 105.19 113.28 2eny n GLY 46 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2eny n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eny n GLY 47 N 0.00 0.00 3.47 -0.02 0.00 -1.26 -4.97 105.19 102.40 2eny n GLY 47 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2eny n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eny s LYS 48 N 0.00 0.61 -0.31 1.61 1.02 -1.24 -5.11 119.74 116.31 2eny s LYS 48 Ca 0.00 0.93 -0.28 0.00 0.02 0.00 0.00 55.97 56.64 2eny s LYS 48 Cb 0.00 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.44 2eny s LYS 48 CO 0.00 -0.12 2.15 0.99 -0.92 0.00 0.00 175.35 177.45 2eny s THR 49 N 1.03 3.12 0.40 2.17 2.01 -1.26 -3.50 115.64 119.61 2eny s THR 49 Ca -0.06 0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.13 2eny s THR 49 Cb -0.06 -3.19 -0.00 0.00 0.01 0.00 0.00 72.50 69.27 2eny s THR 49 CO -0.09 -0.13 0.49 0.68 -0.69 0.00 0.00 174.62 174.87 2eny s VAL 50 N 8.77 3.09 0.00 3.82 -7.23 0.05 -4.94 120.40 123.97 2eny s VAL 50 Ca 0.94 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2eny s VAL 50 Cb -0.27 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.60 2eny s VAL 50 CO 0.32 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 2eny n GLY 51 N -1.71 0.75 3.74 2.32 0.00 -1.25 -4.12 105.19 104.92 2eny n GLY 51 Ca 0.05 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 2eny n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eny s SER 52 N -1.37 0.16 0.29 1.61 0.15 -0.31 -4.75 113.70 109.49 2eny s SER 52 Ca 0.00 -1.16 0.12 0.00 0.70 0.00 0.00 55.95 55.61 2eny s SER 52 Cb 0.00 0.80 0.97 0.00 -1.71 0.00 0.00 66.02 66.08 2eny s SER 52 CO 0.00 -1.57 1.32 -0.24 1.20 0.00 0.00 173.24 173.95 2eny n SER 53 N -1.30 0.17 -3.71 5.45 2.88 -1.26 -4.36 113.62 111.49 2eny n SER 53 Ca -0.06 1.40 -0.21 0.00 -1.33 0.00 0.00 58.87 58.67 2eny n SER 53 Cb 0.60 -0.63 0.15 0.00 -0.75 0.00 0.00 64.21 63.58 2eny n SER 53 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2eny n SER 54 N -5.00 -2.93 -0.35 -3.46 7.64 -1.26 -4.79 113.62 103.48 2eny n SER 54 Ca 0.28 -0.35 -0.09 0.00 1.01 0.00 0.00 58.87 59.72 2eny n SER 54 Cb 0.94 -0.79 -0.08 0.00 -1.01 0.00 0.00 64.21 63.27 2eny n SER 54 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2eny n ARG 55 N -1.76 -0.36 -1.55 1.43 3.00 -1.26 -4.23 116.66 111.93 2eny n ARG 55 Ca 0.05 1.29 -0.52 0.00 -0.01 0.00 0.00 57.85 58.66 2eny n ARG 55 Cb 0.41 -1.90 -0.07 0.00 0.00 0.00 0.00 32.46 30.90 2eny n ARG 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2eny n PHE 56 N -4.96 1.84 -3.98 -1.55 3.72 -1.26 -4.49 117.46 106.78 2eny n PHE 56 Ca 0.02 0.28 -0.31 0.00 -0.05 0.00 0.00 57.45 57.39 2eny n PHE 56 Cb 0.21 -2.54 -0.15 0.00 -0.94 0.00 0.00 39.48 36.06 2eny n PHE 56 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2eny s GLN 57 N 5.23 1.73 -0.04 -1.08 2.00 -1.11 -1.16 119.66 125.23 2eny s GLN 57 Ca 1.04 -1.24 -0.21 0.00 -2.00 0.00 0.00 55.36 52.96 2eny s GLN 57 Cb -0.87 -2.74 -0.05 0.00 0.80 0.00 0.00 33.01 30.15 2eny s GLN 57 CO 0.53 -0.66 0.59 0.00 -0.50 0.00 0.00 175.29 175.25 2eny s ALA 58 N 1.24 3.45 0.11 1.58 0.00 -1.26 -1.72 121.76 125.16 2eny s ALA 58 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 51.96 51.95 2eny s ALA 58 Cb -0.19 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 2eny s ALA 58 CO -0.07 0.07 -0.08 0.95 0.00 0.00 0.00 175.76 176.63 2eny s THR 59 N 0.22 0.81 -0.20 0.00 -4.23 0.16 -4.98 115.64 107.42 2eny s THR 59 Ca 0.31 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 58.87 2eny s THR 59 Cb -0.17 -1.69 0.06 0.00 1.34 0.00 0.00 72.50 72.04 2eny s THR 59 CO 0.16 -0.82 0.01 -0.60 -0.54 0.00 0.00 174.62 172.83 2eny s ARG 60 N -3.73 0.91 -0.24 3.99 3.52 -1.26 -0.35 118.95 121.79 2eny s ARG 60 Ca 0.12 -0.54 -0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2eny s ARG 60 Cb 0.04 -2.18 0.07 0.00 -1.56 0.00 0.00 34.95 31.32 2eny s ARG 60 CO -0.03 -0.61 0.01 -1.14 -0.81 0.00 0.00 175.30 172.72 2eny s GLN 61 N 1.75 1.14 -0.42 5.12 2.00 -0.35 -4.91 119.66 123.99 2eny s GLN 61 Ca -0.02 -0.87 -0.10 0.00 -2.00 0.00 0.00 55.36 52.37 2eny s GLN 61 Cb -0.17 -2.36 0.01 0.00 0.80 0.00 0.00 33.01 31.29 2eny s GLN 61 CO -0.07 -0.70 0.51 0.41 -0.50 0.00 0.00 175.29 174.94 2eny n GLY 62 N 4.80 -1.17 3.74 2.59 0.00 -1.26 -3.41 105.19 110.47 2eny n GLY 62 Ca -0.08 0.85 -0.27 0.00 0.00 0.00 0.00 46.02 46.52 2eny n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2eny n ARG 63 N -0.67 -0.87 -3.71 1.61 1.85 -1.26 -4.87 116.66 108.74 2eny n ARG 63 Ca 0.07 0.08 -0.13 0.00 -1.00 0.00 0.00 57.85 56.88 2eny n ARG 63 Cb 0.41 -2.99 -0.13 0.00 -1.05 0.00 0.00 32.46 28.70 2eny n ARG 63 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2eny s LYS 64 N -5.78 0.18 -0.18 2.89 2.20 -1.22 -4.17 119.74 113.65 2eny s LYS 64 Ca 0.32 0.57 -0.14 0.00 -0.36 0.00 0.00 55.97 56.36 2eny s LYS 64 Cb -0.19 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.98 2eny s LYS 64 CO 0.73 -0.20 0.31 0.71 -0.36 0.00 0.00 175.35 176.54 2eny s TYR 65 N 1.58 3.42 -0.19 4.03 2.02 -0.77 -1.21 117.35 126.23 2eny s TYR 65 Ca -0.06 0.57 0.01 0.00 -0.37 0.00 0.00 57.07 57.22 2eny s TYR 65 Cb -0.11 -2.39 0.03 0.00 -0.40 0.00 0.00 41.96 39.09 2eny s TYR 65 CO -0.08 0.14 -0.18 0.42 -1.57 0.00 0.00 175.55 174.29 2eny s ILE 66 N 0.78 2.02 -0.73 2.71 1.09 0.52 -2.01 121.20 125.59 2eny s ILE 66 Ca 0.16 -1.03 -0.10 0.00 -1.10 0.00 0.00 60.65 58.58 2eny s ILE 66 Cb -0.14 -1.89 0.19 0.00 -1.06 0.00 0.00 42.46 39.56 2eny s ILE 66 CO 0.05 0.42 0.62 -0.22 -0.10 0.00 0.00 174.94 175.71 2eny s LEU 67 N 1.28 6.16 -0.43 2.97 2.96 -1.16 -0.67 118.68 129.79 2eny s LEU 67 Ca 0.02 -2.67 -0.27 0.00 -0.22 0.00 0.00 54.13 50.99 2eny s LEU 67 Cb -0.14 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2eny s LEU 67 CO -0.11 -0.52 1.95 -0.69 -1.32 0.00 0.00 176.35 175.66 2eny s VAL 68 N 0.20 3.33 -0.47 1.68 1.01 -0.70 -3.36 120.40 122.09 2eny s VAL 68 Ca 0.16 0.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.20 2eny s VAL 68 Cb -0.15 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.68 2eny s VAL 68 CO -0.06 -0.46 0.77 -0.69 0.00 0.00 0.00 175.10 174.66 2eny s VAL 69 N 8.47 4.65 -0.04 2.92 1.01 0.23 -2.76 120.40 134.88 2eny s VAL 69 Ca 0.81 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 63.04 2eny s VAL 69 Cb -0.20 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 2eny s VAL 69 CO 0.29 -0.77 0.10 -0.13 0.00 0.00 0.00 175.10 174.59 2eny s ARG 70 N 3.27 3.21 -1.23 2.72 0.52 -1.26 -2.32 118.95 123.85 2eny s ARG 70 Ca 0.28 -0.37 -0.01 0.00 -0.52 0.00 0.00 55.73 55.10 2eny s ARG 70 Cb -0.13 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.38 2eny s ARG 70 CO 0.21 0.69 1.00 0.39 0.02 0.00 0.00 175.30 177.60 2eny n GLU 71 N 1.41 -6.63 -1.66 3.54 -0.58 -1.24 -4.78 120.64 110.70 2eny n GLU 71 Ca -0.15 0.82 -0.45 0.00 -0.42 0.00 0.00 57.16 56.97 2eny n GLU 71 Cb 0.53 -5.80 -0.03 0.00 -0.57 0.00 0.00 31.44 25.57 2eny n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2eny n ALA 72 N -4.26 0.87 -2.46 0.62 0.00 -1.16 -4.79 120.51 109.32 2eny n ALA 72 Ca -0.25 0.41 -0.26 0.00 0.00 0.00 0.00 53.44 53.35 2eny n ALA 72 Cb 0.66 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.76 2eny n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2eny s ALA 73 N -0.20 2.68 -1.46 0.00 0.00 -1.26 -2.34 121.76 119.18 2eny s ALA 73 Ca 0.67 -1.71 0.15 0.00 0.00 0.00 0.00 51.96 51.07 2eny s ALA 73 Cb -0.67 -0.36 0.76 0.00 0.00 0.00 0.00 23.12 22.85 2eny s ALA 73 CO 0.51 0.37 1.40 -0.35 0.00 0.00 0.00 175.76 177.70 2eny n PRO 74 N -0.12 0.23 -0.10 0.00 -0.04 -1.26 -2.57 135.00 131.13 2eny n PRO 74 Ca -0.09 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 2eny n PRO 74 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 2eny n PRO 74 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eny n SER 75 N -1.27 0.87 0.22 3.54 2.88 -1.26 -4.30 113.62 114.30 2eny n SER 75 Ca 0.07 -0.02 0.07 0.00 -1.33 0.00 0.00 58.87 57.67 2eny n SER 75 Cb 0.11 0.34 0.50 0.00 -0.75 0.00 0.00 64.21 64.41 2eny n SER 75 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2eny h ASP 76 N 0.00 0.00 -2.87 -3.46 3.32 -1.87 -3.44 116.42 108.10 2eny h ASP 76 Ca -0.54 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.23 2eny h ASP 76 Cb 2.10 0.00 0.13 0.00 0.22 0.00 0.00 39.33 41.78 2eny h ASP 76 CO -0.01 0.26 0.12 0.00 -1.72 0.00 0.00 179.24 177.89 2eny n ALA 77 N -2.36 -2.15 0.00 3.45 0.00 -1.20 -3.53 120.51 114.72 2eny n ALA 77 Ca -0.01 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2eny n ALA 77 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2eny n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eny n GLY 78 N -2.28 3.03 3.57 0.00 0.00 -1.13 -4.77 105.19 103.62 2eny n GLY 78 Ca 0.11 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.26 2eny n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eny s GLU 79 N 0.00 0.49 0.10 1.61 2.12 -1.26 -4.64 118.70 117.12 2eny s GLU 79 Ca 0.00 1.13 0.01 0.00 0.36 0.00 0.00 54.97 56.47 2eny s GLU 79 Cb 0.00 0.56 -0.04 0.00 0.26 0.00 0.00 34.13 34.92 2eny s GLU 79 CO 0.00 -0.15 0.25 0.08 -0.54 0.00 0.00 175.26 174.90 2eny s VAL 80 N 2.43 5.36 -0.09 3.70 1.01 0.03 -2.58 120.40 130.26 2eny s VAL 80 Ca -0.06 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 2eny s VAL 80 Cb -0.08 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.66 2eny s VAL 80 CO -0.18 0.04 0.23 -0.69 0.00 0.00 0.00 175.10 174.49 2eny s VAL 81 N -1.61 -0.03 -0.15 2.92 1.01 0.04 -2.38 120.40 120.19 2eny s VAL 81 Ca 0.35 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 2eny s VAL 81 Cb -0.12 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 35.97 2eny s VAL 81 CO 0.28 0.04 0.04 0.12 0.00 0.00 0.00 175.10 175.58 2eny s PHE 82 N 0.90 0.74 0.16 5.22 5.36 -1.18 -1.04 117.98 128.14 2eny s PHE 82 Ca -0.06 -0.53 0.04 0.00 -0.96 0.00 0.00 56.93 55.42 2eny s PHE 82 Cb -0.08 -0.88 -0.04 0.00 -0.34 0.00 0.00 43.02 41.68 2eny s PHE 82 CO -0.06 -0.50 0.19 -1.54 -1.46 0.00 0.00 175.22 171.85 2eny s SER 83 N 1.95 5.82 -0.28 6.13 1.04 -0.73 -1.10 113.70 126.53 2eny s SER 83 Ca 0.01 -0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.26 2eny s SER 83 Cb -0.15 -1.62 0.11 0.00 0.10 0.00 0.00 66.02 64.46 2eny s SER 83 CO -0.07 0.07 0.85 0.54 0.98 0.00 0.00 173.24 175.60 2eny s VAL 84 N -1.74 0.00 -0.23 5.02 0.11 -0.28 -1.17 120.40 122.11 2eny s VAL 84 Ca 0.32 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2eny s VAL 84 Cb -0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 2eny s VAL 84 CO 0.25 0.00 0.00 -2.11 -3.33 0.00 0.00 175.10 169.91 2eny n ARG 85 N 3.77 -2.77 0.00 1.54 1.85 -1.25 0.13 116.66 119.93 2eny n ARG 85 Ca -0.18 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 2eny n ARG 85 Cb 0.58 -4.63 0.00 0.00 -1.05 0.00 0.00 32.46 27.35 2eny n ARG 85 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2eny n GLY 86 N -0.55 3.09 3.43 2.89 0.00 -1.26 -5.07 105.19 107.73 2eny n GLY 86 Ca -0.03 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 2eny n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eny n LEU 87 N 0.00 -1.09 -3.62 0.99 4.77 0.34 -5.03 117.00 113.36 2eny n LEU 87 Ca 0.00 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.89 2eny n LEU 87 Cb 0.00 -1.19 -0.06 0.00 -2.33 0.00 0.00 43.42 39.84 2eny n LEU 87 CO 0.00 -3.15 0.47 -0.89 -1.33 0.00 0.00 177.39 172.49 2eny s THR 88 N -2.38 -0.20 0.30 -5.08 2.01 -1.26 -1.12 115.64 107.91 2eny s THR 88 Ca 0.64 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.65 2eny s THR 88 Cb -0.21 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.31 2eny s THR 88 CO 0.65 0.00 0.11 -1.20 -0.69 0.00 0.00 174.62 173.49 2eny n SER 89 N 4.36 2.45 -3.60 3.53 7.64 -0.26 -4.95 113.62 122.79 2eny n SER 89 Ca -0.17 -2.20 -0.16 0.00 1.01 0.00 0.00 58.87 57.35 2eny n SER 89 Cb 0.56 0.10 -0.07 0.00 -1.01 0.00 0.00 64.21 63.80 2eny n SER 89 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2eny s LYS 90 N -3.16 0.90 0.24 1.43 1.02 -1.26 -3.07 119.74 115.84 2eny s LYS 90 Ca 0.08 0.38 -0.10 0.00 0.02 0.00 0.00 55.97 56.34 2eny s LYS 90 Cb -0.01 0.43 -0.01 0.00 -0.52 0.00 0.00 37.83 37.72 2eny s LYS 90 CO 0.05 -0.24 0.41 0.00 -0.92 0.00 0.00 175.35 174.66 2eny s ALA 91 N -0.76 0.04 -0.10 5.17 0.00 -1.00 -4.61 121.76 120.50 2eny s ALA 91 Ca -0.08 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 2eny s ALA 91 Cb -0.02 1.13 -0.03 0.00 0.00 0.00 0.00 23.12 24.20 2eny s ALA 91 CO 0.06 -0.81 -0.04 -1.12 0.00 0.00 0.00 175.76 173.86 2eny s SER 92 N -3.05 4.89 -0.20 0.00 0.01 -1.26 -0.79 113.70 113.30 2eny s SER 92 Ca 0.26 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.51 2eny s SER 92 Cb 0.01 -1.48 0.05 0.00 0.21 0.00 0.00 66.02 64.81 2eny s SER 92 CO 0.10 0.30 -0.06 -0.22 0.41 0.00 0.00 173.24 173.77 2eny s LEU 93 N -0.43 2.11 -0.21 2.44 2.96 -1.26 -2.22 118.68 122.07 2eny s LEU 93 Ca 0.07 -0.91 -0.14 0.00 -0.22 0.00 0.00 54.13 52.93 2eny s LEU 93 Cb -0.12 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 2eny s LEU 93 CO 0.02 -0.20 0.31 -0.63 -1.32 0.00 0.00 176.35 174.54 2eny s ILE 94 N 1.49 5.26 -0.31 6.68 1.09 -1.06 -2.84 121.20 131.50 2eny s ILE 94 Ca -0.02 0.52 -0.01 0.00 -1.10 0.00 0.00 60.65 60.04 2eny s ILE 94 Cb -0.17 -3.64 0.10 0.00 -1.06 0.00 0.00 42.46 37.69 2eny s ILE 94 CO -0.07 0.30 0.11 -0.69 -0.10 0.00 0.00 174.94 174.48 2eny s VAL 95 N 1.14 0.75 0.31 2.92 1.01 -1.26 -1.77 120.40 123.50 2eny s VAL 95 Ca 0.15 -1.37 -0.05 0.00 0.00 0.00 0.00 61.98 60.71 2eny s VAL 95 Cb -0.14 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 2eny s VAL 95 CO 0.06 -0.70 0.59 -0.13 0.00 0.00 0.00 175.10 174.92 2eny s ARG 96 N 1.61 3.64 0.42 2.72 0.52 -1.21 -4.39 118.95 122.26 2eny s ARG 96 Ca 0.10 0.05 -0.22 0.00 -0.52 0.00 0.00 55.73 55.15 2eny s ARG 96 Cb -0.18 -2.61 -0.11 0.00 0.52 0.00 0.00 34.95 32.58 2eny s ARG 96 CO -0.25 0.17 0.95 -1.83 0.02 0.00 0.00 175.30 174.36 2eny s GLU 97 N -3.65 4.27 0.40 3.54 1.03 -1.26 0.00 118.70 123.02 2eny s GLU 97 Ca 0.45 1.15 -0.24 0.00 0.03 0.00 0.00 54.97 56.36 2eny s GLU 97 Cb -0.11 -2.26 -0.09 0.00 -0.80 0.00 0.00 34.13 30.87 2eny s GLU 97 CO 0.31 0.00 1.03 0.50 -1.33 0.00 0.00 175.26 175.77 2eny s ARG 98 N -3.03 4.19 0.16 -4.83 3.52 -1.26 -4.82 118.95 112.88 2eny s ARG 98 Ca 0.61 1.44 0.08 0.00 -0.13 0.00 0.00 55.73 57.73 2eny s ARG 98 Cb -0.10 -2.50 -0.04 0.00 -1.56 0.00 0.00 34.95 30.74 2eny s ARG 98 CO 0.15 -0.11 -0.17 -1.12 -0.81 0.00 0.00 175.30 173.24 2eny s SER 99 N -1.66 2.53 0.45 -2.12 0.01 -1.26 -5.11 113.70 106.54 2eny s SER 99 Ca 0.58 -0.87 -0.22 0.00 1.31 0.00 0.00 55.95 56.75 2eny s SER 99 Cb -0.20 -0.14 -0.08 0.00 0.21 0.00 0.00 66.02 65.81 2eny s SER 99 CO 0.25 -0.07 1.08 -0.83 0.41 0.00 0.00 173.24 174.08 2eny s GLY 100 N -2.69 2.68 -0.37 3.44 0.00 -1.26 -4.96 107.32 104.16 2eny s GLY 100 Ca 0.15 0.75 -0.28 0.00 0.00 0.00 0.00 44.72 45.34 2eny s GLY 100 CO 0.06 1.15 1.72 2.56 0.00 0.00 0.00 173.10 178.59 2eny s PRO 101 N -2.81 3.33 0.34 2.90 0.04 -1.26 -4.96 135.00 132.58 2eny s PRO 101 Ca 0.63 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.63 2eny s PRO 101 Cb -0.22 -4.18 -0.11 0.00 0.04 0.00 0.00 34.50 30.03 2eny s PRO 101 CO 0.27 -1.87 1.54 -1.54 0.04 0.00 0.00 177.00 175.45 2eny s SER 102 N 5.78 6.33 -0.46 6.66 1.04 -1.26 -4.74 113.70 127.05 2eny s SER 102 Ca 0.74 3.03 -0.37 0.00 0.48 0.00 0.00 55.95 59.83 2eny s SER 102 Cb -0.20 -2.66 -0.17 0.00 0.10 0.00 0.00 66.02 63.10 2eny s SER 102 CO 0.32 -0.91 1.89 -1.20 0.98 0.00 0.00 173.24 174.32 2eny n SER 103 N 1.16 0.62 0.00 7.02 7.64 -1.26 -5.33 113.62 123.48 2eny n SER 103 Ca 0.04 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2eny n SER 103 Cb 0.38 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2eny n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64