#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eny n SER 2 N 0.00 -1.98 -4.57 1.61 7.64 -1.26 -4.88 113.62 110.18 2eny n SER 2 Ca 0.00 0.82 -0.42 0.00 1.01 0.00 0.00 58.87 60.28 2eny n SER 2 Cb 0.00 -1.00 -0.06 0.00 -1.01 0.00 0.00 64.21 62.14 2eny n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2eny s SER 3 N -1.01 6.47 0.00 6.43 0.15 -1.26 -4.94 113.70 119.54 2eny s SER 3 Ca 0.62 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.46 2eny s SER 3 Cb -0.58 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.38 2eny s SER 3 CO 0.60 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2eny n GLY 4 N 4.65 4.37 3.74 9.45 0.00 -1.26 -5.11 105.19 121.03 2eny n GLY 4 Ca 0.00 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 2eny n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eny s SER 5 N 0.00 6.97 -0.25 1.61 0.01 -1.26 -5.02 113.70 115.76 2eny s SER 5 Ca 0.00 2.38 -0.26 0.00 1.31 0.00 0.00 55.95 59.38 2eny s SER 5 Cb 0.00 -2.62 0.09 0.00 0.21 0.00 0.00 66.02 63.70 2eny s SER 5 CO 0.00 -0.44 0.82 -0.94 0.41 0.00 0.00 173.24 173.09 2eny s SER 6 N 0.02 -0.63 0.00 2.44 1.04 -1.26 -5.10 113.70 110.21 2eny s SER 6 Ca 0.53 1.15 0.00 0.00 0.48 0.00 0.00 55.95 58.11 2eny s SER 6 Cb -0.35 1.14 0.00 0.00 0.10 0.00 0.00 66.02 66.91 2eny s SER 6 CO 0.40 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2eny n GLY 7 N 2.27 -1.90 3.67 7.32 0.00 -1.26 -5.16 105.19 110.14 2eny n GLY 7 Ca -0.14 0.70 -0.30 0.00 0.00 0.00 0.00 46.02 46.28 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 2.13 0.28 1.61 4.02 -1.26 -5.13 115.29 116.95 2eny s HIS 8 Ca 0.00 -0.86 -0.29 0.00 1.02 0.00 0.00 55.06 54.94 2eny s HIS 8 Cb 0.00 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.58 29.83 2eny s HIS 8 CO 0.00 0.28 0.99 0.54 1.02 0.00 0.00 174.74 177.57 2eny s VAL 9 N -2.85 3.92 -0.14 -0.90 0.11 -1.26 -5.06 120.40 114.22 2eny s VAL 9 Ca 0.20 1.83 -0.09 0.00 -2.93 0.00 0.00 61.98 60.99 2eny s VAL 9 Cb 0.05 -4.12 0.05 0.00 -1.53 0.00 0.00 36.38 30.83 2eny s VAL 9 CO 0.10 0.36 0.35 -0.83 -3.33 0.00 0.00 175.10 171.75 2eny s GLY 10 N -1.22 -0.26 -0.18 6.54 0.00 -1.26 -5.06 107.32 105.89 2eny s GLY 10 Ca 0.45 1.26 -0.30 0.00 0.00 0.00 0.00 44.72 46.12 2eny s GLY 10 CO 0.32 1.38 0.94 1.39 0.00 0.00 0.00 173.10 177.13 2eny n ILE 11 N 3.95 0.00 0.02 0.90 5.41 -1.26 -4.25 119.36 124.13 2eny n ILE 11 Ca -0.22 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.37 2eny n ILE 11 Cb 0.55 -0.18 -0.14 0.00 -0.71 0.00 0.00 39.64 39.16 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 2.80 0.86 -3.65 1.39 1.03 -1.87 -3.44 112.91 110.04 2eny h THR 12 Ca -0.33 -2.60 -0.70 0.00 -0.01 0.00 0.00 66.41 62.77 2eny h THR 12 Cb 0.98 2.56 -0.28 0.00 -1.07 0.00 0.00 68.15 70.34 2eny h THR 12 CO 0.57 0.75 -0.59 -0.54 -0.01 0.00 0.00 175.52 175.70 2eny s LYS 13 N -2.59 2.63 0.31 0.00 1.02 -1.21 -5.06 119.74 114.84 2eny s LYS 13 Ca -0.13 -1.20 -0.17 0.00 0.02 0.00 0.00 55.97 54.50 2eny s LYS 13 Cb 0.07 -3.51 -0.09 0.00 -0.52 0.00 0.00 37.83 33.78 2eny s LYS 13 CO 0.81 -0.69 0.75 -0.98 -0.92 0.00 0.00 175.35 174.33 2eny s ARG 14 N 1.42 4.09 0.10 1.68 1.70 -1.26 -4.04 118.95 122.64 2eny s ARG 14 Ca -0.01 0.76 -0.31 0.00 -0.47 0.00 0.00 55.73 55.71 2eny s ARG 14 Cb -0.20 -2.52 -0.09 0.00 -0.57 0.00 0.00 34.95 31.57 2eny s ARG 14 CO 0.03 0.20 1.68 -0.51 -1.08 0.00 0.00 175.30 175.62 2eny s LEU 15 N -2.75 4.37 0.04 -1.89 1.43 -1.26 -4.99 118.68 113.62 2eny s LEU 15 Ca 0.52 2.59 -0.04 0.00 -1.03 0.00 0.00 54.13 56.18 2eny s LEU 15 Cb -0.12 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2eny s LEU 15 CO 0.18 -0.91 0.25 -0.75 0.23 0.00 0.00 176.35 175.35 2eny s LYS 16 N 2.36 3.51 0.24 1.70 2.20 -1.26 -4.71 119.74 123.78 2eny s LYS 16 Ca 0.75 -0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.82 2eny s LYS 16 Cb -0.42 -3.04 -0.10 0.00 -1.51 0.00 0.00 37.83 32.76 2eny s LYS 16 CO 0.33 0.62 1.41 0.99 -0.36 0.00 0.00 175.35 178.33 2eny s THR 17 N -1.42 2.78 0.34 3.43 2.01 -1.26 -4.83 115.64 116.68 2eny s THR 17 Ca 0.32 0.66 0.09 0.00 0.31 0.00 0.00 61.69 63.06 2eny s THR 17 Cb -0.13 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 2eny s THR 17 CO 0.21 0.11 0.06 -0.04 -0.69 0.00 0.00 174.62 174.27 2eny s MET 18 N -0.38 2.20 -0.14 4.92 -1.94 -1.23 -5.04 119.30 117.70 2eny s MET 18 Ca 0.58 -1.66 -0.04 0.00 -1.71 0.00 0.00 55.69 52.87 2eny s MET 18 Cb -0.41 -2.03 0.05 0.00 2.01 0.00 0.00 34.83 34.45 2eny s MET 18 CO 0.43 0.13 0.07 -1.21 -0.01 0.00 0.00 175.02 174.43 2eny s GLU 19 N -3.76 0.18 0.36 2.03 2.02 -1.26 -3.02 118.70 115.24 2eny s GLU 19 Ca 0.36 -0.03 0.03 0.00 0.02 0.00 0.00 54.97 55.35 2eny s GLU 19 Cb -0.01 -1.54 -0.04 0.00 0.10 0.00 0.00 34.13 32.64 2eny s GLU 19 CO 0.21 -0.57 0.12 0.14 0.02 0.00 0.00 175.26 175.18 2eny s VAL 20 N 2.08 0.68 -0.12 2.63 -7.23 -1.15 -5.06 120.40 112.24 2eny s VAL 20 Ca 0.02 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.15 2eny s VAL 20 Cb -0.15 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 2eny s VAL 20 CO -0.07 0.00 0.02 -0.22 -0.31 0.00 0.00 175.10 174.52 2eny s LEU 21 N -3.51 3.67 0.13 1.32 2.96 -1.26 -2.48 118.68 119.50 2eny s LEU 21 Ca 0.30 0.13 -0.22 0.00 -0.22 0.00 0.00 54.13 54.12 2eny s LEU 21 Cb 0.05 -1.87 -0.13 0.00 0.50 0.00 0.00 46.19 44.74 2eny s LEU 21 CO 0.15 0.31 0.44 1.21 -1.32 0.00 0.00 176.35 177.14 2eny n GLU 22 N 2.64 0.00 0.00 1.98 0.00 -0.14 -0.31 120.64 124.80 2eny n GLU 22 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.98 2eny n GLU 22 Cb 0.53 -0.79 0.00 0.00 0.00 0.00 0.00 31.44 31.18 2eny n GLU 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2eny n GLY 23 N 1.43 2.00 3.25 8.31 0.00 -1.08 -4.75 105.19 114.35 2eny n GLY 23 Ca 0.14 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.46 -4.52 1.61 -0.58 0.57 -4.19 120.64 111.07 2eny n GLU 24 Ca 0.00 -0.71 -0.25 0.00 -0.42 0.00 0.00 57.16 55.78 2eny n GLU 24 Cb 0.00 -1.78 -0.17 0.00 -0.57 0.00 0.00 31.44 28.93 2eny n GLU 24 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2eny s SER 25 N -2.15 1.85 0.36 1.62 1.04 -1.26 -3.59 113.70 111.57 2eny s SER 25 Ca 0.56 -0.31 0.09 0.00 0.48 0.00 0.00 55.95 56.77 2eny s SER 25 Cb -0.13 -0.85 -0.06 0.00 0.10 0.00 0.00 66.02 65.08 2eny s SER 25 CO 0.58 0.02 0.00 0.00 0.98 0.00 0.00 173.24 174.82 2eny s SER 27 N -3.71 0.93 0.75 0.00 1.04 -1.26 0.45 113.70 111.90 2eny s SER 27 Ca 0.35 0.21 -0.07 0.00 0.48 0.00 0.00 55.95 56.93 2eny s SER 27 Cb 0.03 0.08 0.11 0.00 0.10 0.00 0.00 66.02 66.33 2eny s SER 27 CO 0.19 -0.25 1.06 -0.36 0.98 0.00 0.00 173.24 174.86 2eny s PHE 28 N 2.23 2.30 -0.10 5.02 0.40 -1.14 -4.90 117.98 121.79 2eny s PHE 28 Ca 0.04 0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 56.49 2eny s PHE 28 Cb -0.12 -3.31 0.03 0.00 0.51 0.00 0.00 43.02 40.12 2eny s PHE 28 CO -0.04 -1.72 0.27 -1.21 0.70 0.00 0.00 175.22 173.21 2eny s GLU 29 N -5.33 0.30 -0.09 0.44 8.01 -1.26 -3.25 118.70 117.53 2eny s GLU 29 Ca 0.64 0.39 -0.04 0.00 0.01 0.00 0.00 54.97 55.98 2eny s GLU 29 Cb -0.08 0.12 0.05 0.00 -4.31 0.00 0.00 34.13 29.91 2eny s GLU 29 CO 0.46 -0.05 0.18 0.00 0.01 0.00 0.00 175.26 175.86 2eny s VAL 31 N 1.82 2.23 0.12 0.00 1.01 -1.26 -0.45 120.40 123.87 2eny s VAL 31 Ca -0.03 -1.78 0.07 0.00 0.00 0.00 0.00 61.98 60.24 2eny s VAL 31 Cb -0.12 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2eny s VAL 31 CO -0.06 0.05 -0.07 -0.76 0.00 0.00 0.00 175.10 174.26 2eny s LEU 32 N -2.13 3.14 0.27 3.92 1.43 -1.23 -3.33 118.68 120.76 2eny s LEU 32 Ca 0.14 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2eny s LEU 32 Cb -0.10 -1.90 0.37 0.00 0.03 0.00 0.00 46.19 44.59 2eny s LEU 32 CO 0.06 0.16 1.75 -1.28 0.23 0.00 0.00 176.35 177.27 2eny h SER 33 N 3.42 0.66 -3.54 2.29 0.87 -1.90 -3.39 113.55 111.95 2eny h SER 33 Ca -0.48 -0.18 -0.71 0.00 -1.23 0.00 0.00 61.79 59.19 2eny h SER 33 Cb 1.17 -0.18 -0.28 0.00 -0.44 0.00 0.00 62.40 62.68 2eny h SER 33 CO 0.54 0.79 -0.51 -2.28 -0.53 0.00 0.00 176.83 174.84 2eny s HIS 34 N -4.80 3.31 0.59 2.24 5.65 -1.26 -5.06 115.29 115.94 2eny s HIS 34 Ca -0.08 -1.42 -0.14 0.00 0.25 0.00 0.00 55.06 53.67 2eny s HIS 34 Cb 0.14 -2.69 -0.12 0.00 -1.18 0.00 0.00 32.58 28.73 2eny s HIS 34 CO 0.80 -0.78 -0.34 -0.85 -0.65 0.00 0.00 174.74 172.92 2eny n GLU 35 N 4.90 0.00 -5.22 2.88 0.00 -1.26 -4.95 120.64 116.98 2eny n GLU 35 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.73 2eny n GLU 35 Cb 0.44 -0.82 -0.16 0.00 0.00 0.00 0.00 31.44 30.89 2eny n GLU 35 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2eny s SER 36 N -0.82 3.14 -0.17 -1.84 0.01 -1.26 -5.03 113.70 107.72 2eny s SER 36 Ca 0.41 -0.51 -0.15 0.00 1.31 0.00 0.00 55.95 57.00 2eny s SER 36 Cb -0.30 -1.10 -0.07 0.00 0.21 0.00 0.00 66.02 64.77 2eny s SER 36 CO 0.60 0.21 -0.32 0.00 0.41 0.00 0.00 173.24 174.15 2eny n ALA 37 N 3.18 1.16 -2.52 1.44 0.00 -1.26 -4.70 120.51 117.82 2eny n ALA 37 Ca -0.18 -0.80 -0.15 0.00 0.00 0.00 0.00 53.44 52.31 2eny n ALA 37 Cb 0.52 0.08 0.02 0.00 0.00 0.00 0.00 19.45 20.08 2eny n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2eny n SER 38 N -4.31 3.07 -4.24 0.00 3.41 -1.26 -5.00 113.62 105.29 2eny n SER 38 Ca -0.21 -3.04 -0.43 0.00 -0.26 0.00 0.00 58.87 54.93 2eny n SER 38 Cb 0.56 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 2eny n SER 38 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2eny s ASP 39 N -3.49 6.11 -0.10 4.04 1.11 -1.26 -5.05 116.67 118.04 2eny s ASP 39 Ca 0.38 -2.59 -0.29 0.00 0.18 0.00 0.00 52.55 50.22 2eny s ASP 39 Cb 0.40 -2.07 -0.04 0.00 1.07 0.00 0.00 42.92 42.28 2eny s ASP 39 CO -0.04 -0.54 1.52 -2.16 1.18 0.00 0.00 175.17 175.13 2eny s PRO 40 N 0.33 4.19 0.32 8.23 0.04 -1.26 -4.91 135.00 141.94 2eny s PRO 40 Ca 0.15 2.00 0.07 0.00 0.04 0.00 0.00 61.00 63.27 2eny s PRO 40 Cb -0.17 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 2eny s PRO 40 CO -0.05 -0.81 0.25 0.00 0.04 0.00 0.00 177.00 176.43 2eny s ALA 41 N 3.89 3.74 -0.02 8.56 0.00 -1.26 -4.51 121.76 132.16 2eny s ALA 41 Ca 0.67 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2eny s ALA 41 Cb -0.29 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.69 2eny s ALA 41 CO 0.25 0.07 -0.05 1.41 0.00 0.00 0.00 175.76 177.44 2eny s MET 42 N -3.94 0.62 0.05 0.00 1.75 -1.10 -5.05 119.30 111.64 2eny s MET 42 Ca 0.39 -0.14 -0.03 0.00 -1.25 0.00 0.00 55.69 54.66 2eny s MET 42 Cb -0.06 -0.64 -0.04 0.00 2.84 0.00 0.00 34.83 36.93 2eny s MET 42 CO 0.26 0.01 0.25 -1.58 -0.65 0.00 0.00 175.02 173.31 2eny s TRP 43 N 0.43 3.53 -0.09 4.11 0.52 -1.26 -3.00 118.94 123.19 2eny s TRP 43 Ca -0.05 0.40 -0.04 0.00 0.02 0.00 0.00 56.10 56.42 2eny s TRP 43 Cb -0.09 -1.87 0.04 0.00 -1.15 0.00 0.00 33.47 30.41 2eny s TRP 43 CO -0.00 0.57 0.20 0.95 0.02 0.00 0.00 176.95 178.69 2eny s THR 44 N -1.47 -0.06 -0.16 2.01 -4.23 -0.95 -4.03 115.64 106.76 2eny s THR 44 Ca 0.33 0.17 -0.03 0.00 -1.18 0.00 0.00 61.69 60.99 2eny s THR 44 Cb -0.13 -0.32 0.05 0.00 1.34 0.00 0.00 72.50 73.44 2eny s THR 44 CO 0.23 0.07 0.04 0.54 -0.54 0.00 0.00 174.62 174.96 2eny s VAL 45 N 1.30 0.35 -0.67 2.29 0.11 -1.22 -2.03 120.40 120.53 2eny s VAL 45 Ca -0.09 -0.29 -0.01 0.00 -2.93 0.00 0.00 61.98 58.66 2eny s VAL 45 Cb -0.11 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 2eny s VAL 45 CO -0.07 -0.10 0.17 0.61 -3.33 0.00 0.00 175.10 172.37 2eny n GLY 46 N 5.13 0.13 3.12 6.54 0.00 -1.26 -3.70 105.19 115.16 2eny n GLY 46 Ca -0.08 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.05 -0.63 3.32 -0.02 0.00 -1.26 -5.04 105.19 100.52 2eny n GLY 47 Ca -0.06 0.28 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.72 0.45 -0.85 1.61 1.02 -1.24 -5.10 119.74 110.92 2eny s LYS 48 Ca 0.21 0.77 -0.24 0.00 0.02 0.00 0.00 55.97 56.73 2eny s LYS 48 Cb -0.03 0.07 0.05 0.00 -0.52 0.00 0.00 37.83 37.41 2eny s LYS 48 CO 0.66 -0.13 1.29 0.99 -0.92 0.00 0.00 175.35 177.24 2eny s THR 49 N 1.05 3.95 -0.15 2.17 2.01 -1.26 -3.43 115.64 119.98 2eny s THR 49 Ca -0.07 -0.27 -0.21 0.00 0.31 0.00 0.00 61.69 61.45 2eny s THR 49 Cb -0.06 -4.93 -0.19 0.00 0.01 0.00 0.00 72.50 67.33 2eny s THR 49 CO -0.09 -1.81 0.46 -0.37 -0.69 0.00 0.00 174.62 172.12 2eny h VAL 50 N 6.28 1.19 0.00 3.82 -1.51 -1.86 -3.47 116.25 120.70 2eny h VAL 50 Ca -0.07 -2.00 0.00 0.00 -1.23 0.00 0.00 66.70 63.39 2eny h VAL 50 Cb 1.04 2.36 0.00 0.00 -2.13 0.00 0.00 31.29 32.55 2eny h VAL 50 CO 1.31 0.40 0.00 0.61 -1.23 0.00 0.00 177.57 178.66 2eny n GLY 51 N 1.60 1.81 3.45 5.19 0.00 -1.26 -3.41 105.19 112.57 2eny n GLY 51 Ca -0.13 0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2eny n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eny s SER 52 N -3.43 6.19 0.23 1.61 1.04 -1.26 -1.63 113.70 116.44 2eny s SER 52 Ca 0.00 -1.00 -0.22 0.00 0.48 0.00 0.00 55.95 55.21 2eny s SER 52 Cb 0.00 -2.40 0.06 0.00 0.10 0.00 0.00 66.02 63.78 2eny s SER 52 CO 0.00 -1.37 0.93 -0.55 0.98 0.00 0.00 173.24 173.23 2eny s SER 53 N 3.59 -0.09 0.00 7.02 0.15 -1.22 -5.00 113.70 118.14 2eny s SER 53 Ca 0.21 -0.67 0.18 0.00 0.70 0.00 0.00 55.95 56.37 2eny s SER 53 Cb -0.18 0.59 1.06 0.00 -1.71 0.00 0.00 66.02 65.79 2eny s SER 53 CO 0.10 -1.14 1.52 -1.54 1.20 0.00 0.00 173.24 173.38 2eny n SER 54 N -0.91 0.00 -3.76 5.45 3.41 -1.26 -3.98 113.62 112.57 2eny n SER 54 Ca -0.05 -0.92 -0.23 0.00 -0.26 0.00 0.00 58.87 57.41 2eny n SER 54 Cb 0.60 0.00 -0.18 0.00 -0.26 0.00 0.00 64.21 64.37 2eny n SER 54 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2eny s ARG 55 N -2.00 0.57 -1.13 4.33 0.52 -1.26 -4.61 118.95 115.36 2eny s ARG 55 Ca 0.27 0.10 -0.01 0.00 -0.52 0.00 0.00 55.73 55.56 2eny s ARG 55 Cb 0.12 -1.01 -0.01 0.00 0.52 0.00 0.00 34.95 34.57 2eny s ARG 55 CO 0.21 -0.32 0.95 1.19 0.02 0.00 0.00 175.30 177.34 2eny n PHE 56 N 5.15 -2.15 -2.04 -0.53 3.72 -0.65 -4.70 117.46 116.25 2eny n PHE 56 Ca -0.07 0.89 -0.39 0.00 -0.05 0.00 0.00 57.45 57.84 2eny n PHE 56 Cb 0.50 -4.83 0.00 0.00 -0.94 0.00 0.00 39.48 34.21 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 -5.15 3.79 -0.56 -1.08 2.00 -0.76 -3.99 119.66 113.91 2eny s GLN 57 Ca 0.07 2.10 -0.11 0.00 -2.00 0.00 0.00 55.36 55.42 2eny s GLN 57 Cb -0.01 -2.61 0.14 0.00 0.80 0.00 0.00 33.01 31.33 2eny s GLN 57 CO 0.71 -0.62 0.46 0.00 -0.50 0.00 0.00 175.29 175.34 2eny s ALA 58 N -1.32 3.59 -0.12 1.58 0.00 -0.65 -0.91 121.76 123.93 2eny s ALA 58 Ca 0.60 -2.73 -0.22 0.00 0.00 0.00 0.00 51.96 49.61 2eny s ALA 58 Cb -0.37 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 2eny s ALA 58 CO 0.46 -2.01 0.68 0.95 0.00 0.00 0.00 175.76 175.83 2eny s THR 59 N 1.11 5.03 -0.27 0.00 -4.23 -0.55 -4.87 115.64 111.85 2eny s THR 59 Ca 0.08 1.35 -0.14 0.00 -1.18 0.00 0.00 61.69 61.79 2eny s THR 59 Cb -0.24 -4.00 -0.04 0.00 1.34 0.00 0.00 72.50 69.56 2eny s THR 59 CO -0.01 0.19 0.34 -0.60 -0.54 0.00 0.00 174.62 174.00 2eny s ARG 60 N 1.29 4.01 -0.14 3.99 3.52 -1.26 -2.72 118.95 127.64 2eny s ARG 60 Ca 0.34 -0.02 -0.03 0.00 -0.13 0.00 0.00 55.73 55.90 2eny s ARG 60 Cb -0.17 -3.65 0.05 0.00 -1.56 0.00 0.00 34.95 29.62 2eny s ARG 60 CO 0.14 -0.25 0.03 -0.65 -0.81 0.00 0.00 175.30 173.76 2eny s GLN 61 N 2.00 0.53 0.00 5.12 -1.52 -0.92 -5.06 119.66 119.80 2eny s GLN 61 Ca 0.14 -0.15 0.00 0.00 -1.95 0.00 0.00 55.36 53.40 2eny s GLN 61 Cb -0.16 -1.59 0.00 0.00 -0.22 0.00 0.00 33.01 31.04 2eny s GLN 61 CO 0.10 -0.51 0.00 0.41 -0.25 0.00 0.00 175.29 175.04 2eny n GLY 62 N 5.13 2.14 2.38 3.09 0.00 -1.26 0.25 105.19 116.91 2eny n GLY 62 Ca -0.08 0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 13.93 2.86 -3.79 1.61 1.85 -1.26 -4.63 116.66 127.22 2eny n ARG 63 Ca 0.00 -3.49 -0.13 0.00 -1.00 0.00 0.00 57.85 53.23 2eny n ARG 63 Cb 0.00 -2.28 -0.09 0.00 -1.05 0.00 0.00 32.46 29.03 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 -3.82 0.55 -0.08 2.89 2.20 0.14 -3.48 119.74 118.14 2eny s LYS 64 Ca 0.61 -0.13 0.03 0.00 -0.36 0.00 0.00 55.97 56.11 2eny s LYS 64 Cb 0.48 0.24 0.01 0.00 -1.51 0.00 0.00 37.83 37.05 2eny s LYS 64 CO -0.07 -0.14 -0.17 0.71 -0.36 0.00 0.00 175.35 175.33 2eny s TYR 65 N -1.05 1.87 -0.07 4.03 2.02 0.41 -2.18 117.35 122.39 2eny s TYR 65 Ca -0.11 -0.71 0.04 0.00 -0.37 0.00 0.00 57.07 55.92 2eny s TYR 65 Cb -0.05 -1.30 -0.00 0.00 -0.40 0.00 0.00 41.96 40.20 2eny s TYR 65 CO 0.03 -0.32 -0.20 0.42 -1.57 0.00 0.00 175.55 173.91 2eny s ILE 66 N 0.49 1.69 -0.43 2.71 1.09 -1.10 -1.01 121.20 124.64 2eny s ILE 66 Ca -0.15 -0.83 -0.09 0.00 -1.10 0.00 0.00 60.65 58.47 2eny s ILE 66 Cb -0.16 -1.46 0.09 0.00 -1.06 0.00 0.00 42.46 39.87 2eny s ILE 66 CO 0.05 0.48 0.28 -0.22 -0.10 0.00 0.00 174.94 175.43 2eny s LEU 67 N 0.20 5.26 -0.62 2.97 2.96 -1.20 -1.49 118.68 126.77 2eny s LEU 67 Ca -0.10 -1.59 -0.27 0.00 -0.22 0.00 0.00 54.13 51.95 2eny s LEU 67 Cb -0.15 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 2eny s LEU 67 CO 0.05 -0.57 1.67 -0.69 -1.32 0.00 0.00 176.35 175.49 2eny s VAL 68 N 1.41 3.50 -0.44 1.68 1.01 -0.09 -2.89 120.40 124.58 2eny s VAL 68 Ca 0.04 0.32 -0.28 0.00 0.00 0.00 0.00 61.98 62.06 2eny s VAL 68 Cb -0.24 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 31.97 2eny s VAL 68 CO 0.01 -1.12 1.05 -0.69 0.00 0.00 0.00 175.10 174.36 2eny s VAL 69 N 7.85 4.36 -0.02 2.92 1.01 0.17 -1.64 120.40 135.05 2eny s VAL 69 Ca 0.59 1.16 0.08 0.00 0.00 0.00 0.00 61.98 63.81 2eny s VAL 69 Cb -0.12 -4.51 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 2eny s VAL 69 CO 0.21 -0.84 -0.25 -0.13 0.00 0.00 0.00 175.10 174.09 2eny s ARG 70 N 4.06 2.01 -0.76 2.72 0.52 -1.26 -2.33 118.95 123.90 2eny s ARG 70 Ca 0.44 -0.90 -0.02 0.00 -0.52 0.00 0.00 55.73 54.73 2eny s ARG 70 Cb -0.09 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.43 2eny s ARG 70 CO 0.27 0.54 0.65 0.39 0.02 0.00 0.00 175.30 177.16 2eny n GLU 71 N 2.43 -4.32 -1.65 3.54 -0.58 -1.26 -4.50 120.64 114.30 2eny n GLU 71 Ca -0.16 0.51 -0.36 0.00 -0.42 0.00 0.00 57.16 56.74 2eny n GLU 71 Cb 0.51 -4.55 0.07 0.00 -0.57 0.00 0.00 31.44 26.90 2eny n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2eny s ALA 72 N -3.21 2.29 0.05 0.62 0.00 -1.24 -4.91 121.76 115.36 2eny s ALA 72 Ca 0.12 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2eny s ALA 72 Cb -0.05 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2eny s ALA 72 CO 0.44 -1.67 -0.04 0.00 0.00 0.00 0.00 175.76 174.50 2eny s ALA 73 N -1.65 0.52 -1.36 0.00 0.00 -1.26 -2.64 121.76 115.37 2eny s ALA 73 Ca 0.79 -1.05 0.15 0.00 0.00 0.00 0.00 51.96 51.85 2eny s ALA 73 Cb -0.33 0.19 0.72 0.00 0.00 0.00 0.00 23.12 23.71 2eny s ALA 73 CO 0.41 -0.25 1.42 -0.35 0.00 0.00 0.00 175.76 176.98 2eny n PRO 74 N 0.57 0.18 -0.05 0.00 -0.04 -1.26 -2.28 135.00 132.11 2eny n PRO 74 Ca -0.17 0.16 -0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2eny n PRO 74 Cb 0.59 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.39 2eny n PRO 74 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2eny n SER 75 N -1.32 0.07 -0.05 3.54 7.64 -1.26 -4.31 113.62 117.93 2eny n SER 75 Ca 0.06 0.03 -0.02 0.00 1.01 0.00 0.00 58.87 59.96 2eny n SER 75 Cb 0.13 1.35 0.24 0.00 -1.01 0.00 0.00 64.21 64.92 2eny n SER 75 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2eny h ASP 76 N 0.00 0.60 -1.01 6.43 5.19 -1.87 -3.43 116.42 122.33 2eny h ASP 76 Ca -0.29 -0.13 -0.77 0.00 -0.62 0.00 0.00 57.03 55.23 2eny h ASP 76 Cb 1.67 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 41.02 2eny h ASP 76 CO 0.02 0.67 1.03 0.00 -3.12 0.00 0.00 179.24 177.84 2eny n ALA 77 N -2.47 -0.18 -1.00 3.45 0.00 -1.24 -4.59 120.51 114.47 2eny n ALA 77 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2eny n ALA 77 Cb 0.27 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 5.24 -1.34 3.21 0.00 0.00 -1.25 -4.99 105.19 106.07 2eny n GLY 78 Ca 0.36 0.58 -0.01 0.00 0.00 0.00 0.00 46.02 46.95 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 -0.04 1.61 2.12 -1.26 -4.37 118.70 117.26 2eny s GLU 79 Ca 0.00 1.00 -0.27 0.00 0.36 0.00 0.00 54.97 56.06 2eny s GLU 79 Cb 0.00 0.37 -0.03 0.00 0.26 0.00 0.00 34.13 34.73 2eny s GLU 79 CO 0.00 -0.50 0.84 0.08 -0.54 0.00 0.00 175.26 175.14 2eny s VAL 80 N 2.77 4.95 -0.00 3.70 1.01 0.56 -4.12 120.40 129.27 2eny s VAL 80 Ca 0.11 1.75 0.06 0.00 0.00 0.00 0.00 61.98 63.91 2eny s VAL 80 Cb -0.14 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2eny s VAL 80 CO -0.19 0.19 -0.19 -0.69 0.00 0.00 0.00 175.10 174.22 2eny s VAL 81 N 1.01 1.51 -0.13 2.92 1.01 -0.86 -1.06 120.40 124.80 2eny s VAL 81 Ca 0.44 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2eny s VAL 81 Cb -0.19 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 34.97 2eny s VAL 81 CO 0.22 0.38 0.02 0.12 0.00 0.00 0.00 175.10 175.84 2eny s PHE 82 N -0.51 0.76 0.07 5.22 5.36 -1.08 -2.23 117.98 125.58 2eny s PHE 82 Ca 0.07 -0.45 0.03 0.00 -0.96 0.00 0.00 56.93 55.62 2eny s PHE 82 Cb -0.08 -0.88 -0.04 0.00 -0.34 0.00 0.00 43.02 41.69 2eny s PHE 82 CO -0.00 -0.45 0.07 0.45 -1.46 0.00 0.00 175.22 173.82 2eny s SER 83 N 1.94 5.46 -0.29 6.13 0.15 -1.16 -0.95 113.70 124.98 2eny s SER 83 Ca 0.02 -0.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.53 2eny s SER 83 Cb -0.14 -1.45 0.12 0.00 -1.71 0.00 0.00 66.02 62.83 2eny s SER 83 CO -0.07 0.18 0.70 0.54 1.20 0.00 0.00 173.24 175.80 2eny s VAL 84 N -1.36 -0.59 -0.44 4.45 0.11 -0.50 -2.70 120.40 119.37 2eny s VAL 84 Ca 0.28 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 2eny s VAL 84 Cb -0.12 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 2eny s VAL 84 CO 0.21 0.00 0.00 -2.11 -3.33 0.00 0.00 175.10 169.87 2eny n ARG 85 N 4.97 -2.30 0.00 1.54 1.85 -1.26 -0.17 116.66 121.29 2eny n ARG 85 Ca -0.15 0.25 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2eny n ARG 85 Cb 0.53 -4.68 0.00 0.00 -1.05 0.00 0.00 32.46 27.26 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 -0.49 3.29 3.25 2.89 0.00 -1.26 -5.08 105.19 107.79 2eny n GLY 86 Ca -0.06 -0.92 -0.34 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 -2.26 -3.65 0.99 4.77 0.76 -4.99 117.00 112.63 2eny n LEU 87 Ca 0.00 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 2eny n LEU 87 Cb 0.00 -0.98 -0.08 0.00 -2.33 0.00 0.00 43.42 40.03 2eny n LEU 87 CO 0.00 -3.93 0.34 -0.89 -1.33 0.00 0.00 177.39 171.58 2eny s THR 88 N -2.23 -0.00 0.36 -5.08 2.01 -1.26 -1.42 115.64 108.03 2eny s THR 88 Ca 0.51 0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.60 2eny s THR 88 Cb -0.15 -0.93 -0.07 0.00 0.01 0.00 0.00 72.50 71.36 2eny s THR 88 CO 0.70 0.00 -0.04 -0.44 -0.69 0.00 0.00 174.62 174.16 2eny s SER 89 N 0.89 3.87 0.04 3.53 0.01 -0.12 -4.94 113.70 116.97 2eny s SER 89 Ca -0.04 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2eny s SER 89 Cb -0.05 -0.40 -0.03 0.00 0.21 0.00 0.00 66.02 65.76 2eny s SER 89 CO -0.08 -0.29 -0.04 -0.54 0.41 0.00 0.00 173.24 172.71 2eny s LYS 90 N -3.66 0.45 0.12 12.44 3.01 -1.26 -2.63 119.74 128.21 2eny s LYS 90 Ca 0.34 -0.84 -0.26 0.00 -1.01 0.00 0.00 55.97 54.21 2eny s LYS 90 Cb 0.04 0.06 0.07 0.00 -1.01 0.00 0.00 37.83 36.99 2eny s LYS 90 CO 0.18 -0.05 0.86 0.00 0.51 0.00 0.00 175.35 176.85 2eny s ALA 91 N -2.23 -1.65 -0.10 5.17 0.00 -0.22 -4.50 121.76 118.23 2eny s ALA 91 Ca -0.07 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.32 2eny s ALA 91 Cb -0.04 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 2eny s ALA 91 CO -0.03 -0.89 -0.13 0.45 0.00 0.00 0.00 175.76 175.16 2eny s SER 92 N -2.76 4.11 -0.23 0.00 0.15 -1.26 -0.32 113.70 113.38 2eny s SER 92 Ca 0.08 -0.25 -0.05 0.00 0.70 0.00 0.00 55.95 56.44 2eny s SER 92 Cb -0.02 -1.31 -0.01 0.00 -1.71 0.00 0.00 66.02 62.98 2eny s SER 92 CO -0.03 0.25 -0.01 -0.22 1.20 0.00 0.00 173.24 174.42 2eny s LEU 93 N -0.13 3.09 -0.15 3.45 2.96 -1.26 -3.47 118.68 123.17 2eny s LEU 93 Ca -0.01 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.41 2eny s LEU 93 Cb -0.14 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2eny s LEU 93 CO 0.03 -0.05 0.11 -0.63 -1.32 0.00 0.00 176.35 174.50 2eny s ILE 94 N 1.49 5.28 -0.19 6.68 1.01 -1.17 -3.83 121.20 130.48 2eny s ILE 94 Ca 0.05 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 2eny s ILE 94 Cb -0.15 -3.33 0.06 0.00 0.01 0.00 0.00 42.46 39.05 2eny s ILE 94 CO -0.02 0.55 0.07 -0.69 0.00 0.00 0.00 174.94 174.86 2eny s VAL 95 N -0.48 0.14 -0.24 2.92 1.01 -1.26 -2.92 120.40 119.57 2eny s VAL 95 Ca 0.12 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 2eny s VAL 95 Cb -0.12 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2eny s VAL 95 CO 0.02 -0.29 0.44 -0.13 0.00 0.00 0.00 175.10 175.14 2eny s ARG 96 N 2.03 4.10 0.22 2.72 1.81 -1.04 -4.72 118.95 124.08 2eny s ARG 96 Ca 0.01 0.22 -0.31 0.00 -1.72 0.00 0.00 55.73 53.94 2eny s ARG 96 Cb -0.16 -3.61 -0.10 0.00 -0.45 0.00 0.00 34.95 30.63 2eny s ARG 96 CO -0.10 -0.22 1.49 -1.83 -0.68 0.00 0.00 175.30 173.96 2eny s GLU 97 N 1.87 4.24 0.11 3.54 4.04 -1.26 -0.97 118.70 130.28 2eny s GLU 97 Ca 0.19 2.33 -0.35 0.00 0.04 0.00 0.00 54.97 57.18 2eny s GLU 97 Cb -0.15 -3.12 -0.15 0.00 0.02 0.00 0.00 34.13 30.72 2eny s GLU 97 CO 0.09 -0.50 1.49 0.54 -1.84 0.00 0.00 175.26 175.04 2eny n ARG 98 N 2.91 1.69 -4.33 -4.83 1.74 -1.26 -4.90 116.66 107.68 2eny n ARG 98 Ca 0.09 0.61 -0.24 0.00 -0.77 0.00 0.00 57.85 57.54 2eny n ARG 98 Cb 0.40 -2.32 -0.08 0.00 -1.02 0.00 0.00 32.46 29.43 2eny n ARG 98 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2eny s SER 99 N 0.87 4.29 0.00 0.55 0.15 -1.26 -5.02 113.70 113.27 2eny s SER 99 Ca 0.82 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2eny s SER 99 Cb -0.81 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 2eny s SER 99 CO 0.43 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.51 2eny n GLY 100 N -0.60 1.41 0.20 9.45 0.00 -1.26 -5.01 105.19 109.38 2eny n GLY 100 Ca -0.07 -0.65 0.06 0.00 0.00 0.00 0.00 46.02 45.36 2eny n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eny h PRO 101 N 0.00 0.00 -6.90 1.61 0.13 -2.05 -3.45 132.00 121.34 2eny h PRO 101 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.76 2eny h PRO 101 Cb 0.00 0.00 0.21 0.00 0.13 0.00 0.00 31.00 31.34 2eny h PRO 101 CO 0.00 0.32 -0.17 0.43 -0.23 0.00 0.00 178.00 178.35 2eny n SER 102 N -3.68 -3.73 -4.71 1.44 7.64 -1.26 -4.92 113.62 104.40 2eny n SER 102 Ca -0.01 -0.73 -0.42 0.00 1.01 0.00 0.00 58.87 58.73 2eny n SER 102 Cb 0.43 -1.03 -0.03 0.00 -1.01 0.00 0.00 64.21 62.57 2eny n SER 102 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2eny s SER 103 N -2.87 7.24 0.00 6.43 0.15 -1.26 -5.22 113.70 118.17 2eny s SER 103 Ca 0.65 1.83 0.00 0.00 0.70 0.00 0.00 55.95 59.13 2eny s SER 103 Cb -0.14 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2eny s SER 103 CO 0.57 -0.35 0.24 0.61 1.20 0.00 0.00 173.24 175.50