#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ke0 s PRO 2 N 0.00 2.64 0.00 1.61 0.04 -1.26 -4.63 135.00 133.40 2ke0 s PRO 2 Ca 0.00 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2ke0 s PRO 2 Cb 0.00 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.16 2ke0 s PRO 2 CO 0.00 -2.71 0.00 0.41 0.04 0.00 0.00 177.00 174.74 2ke0 n GLY 3 N 5.69 0.27 3.85 0.56 0.00 -1.26 -5.15 105.19 109.15 2ke0 n GLY 3 Ca 0.20 0.47 -0.36 0.00 0.00 0.00 0.00 46.02 46.34 2ke0 n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ke0 s SER 4 N 2.00 6.80 -0.09 1.61 0.01 -1.26 -5.09 113.70 117.68 2ke0 s SER 4 Ca 0.00 1.02 -0.04 0.00 1.31 0.00 0.00 55.95 58.24 2ke0 s SER 4 Cb 0.00 -2.26 0.05 0.00 0.21 0.00 0.00 66.02 64.01 2ke0 s SER 4 CO 0.00 0.15 0.18 -0.04 0.41 0.00 0.00 173.24 173.94 2ke0 s MET 5 N -1.80 0.09 0.11 12.44 -1.94 -1.26 -5.14 119.30 121.80 2ke0 s MET 5 Ca 0.35 0.53 0.06 0.00 -1.71 0.00 0.00 55.69 54.92 2ke0 s MET 5 Cb -0.15 -0.19 -0.04 0.00 2.01 0.00 0.00 34.83 36.46 2ke0 s MET 5 CO 0.18 -0.24 -0.03 0.95 -0.01 0.00 0.00 175.02 175.87 2ke0 s THR 6 N 1.85 3.78 0.02 2.05 -4.23 -1.26 -5.13 115.64 112.72 2ke0 s THR 6 Ca -0.02 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 2ke0 s THR 6 Cb -0.12 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 2ke0 s THR 6 CO -0.07 0.08 0.04 0.54 -0.54 0.00 0.00 174.62 174.67 2ke0 s VAL 7 N -1.35 4.40 -0.28 2.29 0.11 -1.26 -4.82 120.40 119.48 2ke0 s VAL 7 Ca 0.25 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 58.71 2ke0 s VAL 7 Cb -0.11 -3.02 0.06 0.00 -1.53 0.00 0.00 36.38 31.78 2ke0 s VAL 7 CO 0.17 0.30 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.49 2ke0 s VAL 8 N -1.20 2.41 -0.16 2.04 1.01 -1.07 -5.01 120.40 118.43 2ke0 s VAL 8 Ca 0.23 -1.67 -0.11 0.00 0.00 0.00 0.00 61.98 60.42 2ke0 s VAL 8 Cb -0.12 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 2ke0 s VAL 8 CO 0.14 -0.14 0.21 -0.89 0.00 0.00 0.00 175.10 174.43 2ke0 s THR 9 N 1.11 5.37 0.55 3.92 2.01 -1.26 -2.72 115.64 124.61 2ke0 s THR 9 Ca -0.05 0.36 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 2ke0 s THR 9 Cb -0.20 -3.53 0.11 0.00 0.01 0.00 0.00 72.50 68.89 2ke0 s THR 9 CO -0.04 0.46 0.75 0.35 -0.69 0.00 0.00 174.62 175.44 2ke0 n THR 10 N 3.21 0.00 0.21 -0.82 -2.24 -1.10 -4.96 114.28 108.59 2ke0 n THR 10 Ca -0.15 -1.07 0.06 0.00 -2.27 0.00 0.00 64.05 60.62 2ke0 n THR 10 Cb 0.52 -1.12 0.48 0.00 -2.10 0.00 0.00 70.33 68.11 2ke0 n THR 10 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ke0 h GLU 11 N 0.00 0.00 -0.06 -0.78 5.08 -1.99 -2.95 114.58 113.89 2ke0 h GLU 11 Ca -0.25 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.95 2ke0 h GLU 11 Cb 0.87 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.13 2ke0 h GLU 11 CO 0.25 0.27 -0.61 0.66 -1.00 0.00 0.00 179.01 178.58 2ke0 h SER 12 N 0.00 0.64 0.00 1.42 4.64 -2.02 -3.48 113.55 114.75 2ke0 h SER 12 Ca -0.00 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 2ke0 h SER 12 Cb 0.54 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2ke0 h SER 12 CO 0.04 1.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.85 2ke0 n GLY 13 N 0.88 1.34 3.40 -0.77 0.00 -1.11 -4.99 105.19 103.93 2ke0 n GLY 13 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2ke0 n GLY 13 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ke0 n LEU 14 N 0.00 -0.70 -3.92 0.99 -0.00 -1.26 -4.63 117.00 107.47 2ke0 n LEU 14 Ca 0.00 0.13 -0.14 0.00 -0.00 0.00 0.00 56.01 56.00 2ke0 n LEU 14 Cb 0.00 -1.16 -0.14 0.00 -0.00 0.00 0.00 43.42 42.12 2ke0 n LEU 14 CO 0.00 -3.26 -0.38 -0.54 -0.00 0.00 0.00 177.39 173.21 2ke0 s LYS 15 N -3.76 0.25 0.17 1.47 1.02 -0.59 -2.69 119.74 115.61 2ke0 s LYS 15 Ca 0.59 -0.12 -0.08 0.00 0.02 0.00 0.00 55.97 56.38 2ke0 s LYS 15 Cb -0.19 -0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 36.88 2ke0 s LYS 15 CO 0.66 0.06 0.28 1.52 -0.92 0.00 0.00 175.35 176.95 2ke0 s TYR 16 N -0.09 0.46 -0.11 3.18 -0.85 -1.10 0.25 117.35 119.10 2ke0 s TYR 16 Ca 0.01 -0.82 -0.12 0.00 -0.52 0.00 0.00 57.07 55.62 2ke0 s TYR 16 Cb -0.01 -0.09 0.03 0.00 0.38 0.00 0.00 41.96 42.27 2ke0 s TYR 16 CO -0.00 -0.73 0.32 -2.00 -1.52 0.00 0.00 175.55 171.62 2ke0 s GLU 17 N -3.99 0.43 0.48 -3.49 2.12 -0.14 -2.59 118.70 111.52 2ke0 s GLU 17 Ca 0.19 0.35 -0.24 0.00 0.36 0.00 0.00 54.97 55.63 2ke0 s GLU 17 Cb 0.03 0.20 -0.07 0.00 0.26 0.00 0.00 34.13 34.56 2ke0 s GLU 17 CO 0.02 -0.07 1.40 0.16 -0.54 0.00 0.00 175.26 176.23 2ke0 s ASP 18 N -0.07 5.69 -0.07 -1.70 -4.77 -1.26 -0.74 116.67 113.75 2ke0 s ASP 18 Ca -0.02 2.87 -0.01 0.00 -3.30 0.00 0.00 52.55 52.08 2ke0 s ASP 18 Cb -0.03 -2.65 -0.04 0.00 -1.09 0.00 0.00 42.92 39.12 2ke0 s ASP 18 CO 0.01 -1.30 -0.07 0.18 0.70 0.00 0.00 175.17 174.69 2ke0 n LEU 19 N -0.45 1.85 -3.61 2.11 4.77 0.01 -4.69 117.00 116.98 2ke0 n LEU 19 Ca 0.07 0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 2ke0 n LEU 19 Cb 0.43 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.24 2ke0 n LEU 19 CO 0.57 0.39 0.40 -0.89 -1.33 0.00 0.00 177.39 176.53 2ke0 s THR 20 N -2.12 0.00 -0.10 -5.08 2.01 0.65 -4.91 115.64 106.09 2ke0 s THR 20 Ca -0.09 -0.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.68 2ke0 s THR 20 Cb 0.03 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 2ke0 s THR 20 CO 0.13 -0.00 0.68 -0.70 -0.69 0.00 0.00 174.62 174.03 2ke0 s GLU 21 N -0.09 4.38 1.10 4.92 2.12 -1.26 -0.13 118.70 129.74 2ke0 s GLU 21 Ca -0.03 0.80 -0.13 0.00 0.36 0.00 0.00 54.97 55.96 2ke0 s GLU 21 Cb -0.04 -3.48 0.24 0.00 0.26 0.00 0.00 34.13 31.12 2ke0 s GLU 21 CO 0.04 -0.01 1.06 0.20 -0.54 0.00 0.00 175.26 176.01 2ke0 s GLY 22 N 0.87 1.55 -0.35 -1.50 0.00 -1.26 -4.71 107.32 101.92 2ke0 s GLY 22 Ca 0.35 -0.36 0.10 0.00 0.00 0.00 0.00 44.72 44.80 2ke0 s GLY 22 CO 0.15 0.33 1.11 -1.14 0.00 0.00 0.00 173.10 173.56 2ke0 n SER 23 N -4.56 3.95 0.00 1.64 3.41 -0.79 -4.86 113.62 112.41 2ke0 n SER 23 Ca 0.05 -3.39 0.00 0.00 -0.26 0.00 0.00 58.87 55.27 2ke0 n SER 23 Cb 0.57 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2ke0 n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ke0 n GLY 24 N -0.51 3.80 3.75 5.00 0.00 -1.24 -4.98 105.19 111.02 2ke0 n GLY 24 Ca 0.33 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2ke0 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ke0 s ALA 25 N -1.57 3.43 -0.08 4.61 0.00 -1.26 -4.79 121.76 122.09 2ke0 s ALA 25 Ca 0.00 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.39 2ke0 s ALA 25 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 2ke0 s ALA 25 CO 0.00 0.34 0.37 -2.00 0.00 0.00 0.00 175.76 174.46 2ke0 s GLU 26 N -3.53 4.07 0.27 0.00 2.12 -1.26 -0.98 118.70 119.39 2ke0 s GLU 26 Ca 0.31 0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.63 2ke0 s GLU 26 Cb -0.08 -3.33 -0.12 0.00 0.26 0.00 0.00 34.13 30.86 2ke0 s GLU 26 CO 0.23 0.45 1.52 0.00 -0.54 0.00 0.00 175.26 176.91 2ke0 n ALA 27 N 2.75 1.95 -2.37 6.30 0.00 -0.57 -4.98 120.51 123.59 2ke0 n ALA 27 Ca -0.12 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.42 2ke0 n ALA 27 Cb 0.52 -2.38 -0.15 0.00 0.00 0.00 0.00 19.45 17.43 2ke0 n ALA 27 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ke0 s ARG 28 N -0.49 1.82 0.18 0.00 1.81 -1.26 -4.12 118.95 116.89 2ke0 s ARG 28 Ca 0.65 -0.91 -0.33 0.00 -1.72 0.00 0.00 55.73 53.43 2ke0 s ARG 28 Cb -0.56 -1.83 -0.15 0.00 -0.45 0.00 0.00 34.95 31.96 2ke0 s ARG 28 CO 0.49 0.49 1.33 0.00 -0.68 0.00 0.00 175.30 176.94 2ke0 n ALA 29 N 2.28 0.10 0.00 2.13 0.00 -1.26 -1.28 120.51 122.47 2ke0 n ALA 29 Ca -0.16 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2ke0 n ALA 29 Cb 0.52 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2ke0 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ke0 n GLY 30 N 2.37 2.32 3.82 0.00 0.00 -0.64 -4.93 105.19 108.12 2ke0 n GLY 30 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2ke0 n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ke0 s GLN 31 N -0.93 3.92 -0.85 1.61 0.74 -0.41 -4.78 119.66 118.97 2ke0 s GLN 31 Ca 0.00 0.31 -0.19 0.00 0.05 0.00 0.00 55.36 55.52 2ke0 s GLN 31 Cb 0.00 -3.26 0.12 0.00 1.10 0.00 0.00 33.01 30.98 2ke0 s GLN 31 CO 0.00 0.61 1.05 0.99 -0.55 0.00 0.00 175.29 177.39 2ke0 s THR 32 N -0.77 4.70 0.33 -0.34 2.01 -1.26 -1.55 115.64 118.76 2ke0 s THR 32 Ca 0.22 -1.35 0.03 0.00 0.31 0.00 0.00 61.69 60.91 2ke0 s THR 32 Cb -0.16 -4.73 -0.02 0.00 0.01 0.00 0.00 72.50 67.61 2ke0 s THR 32 CO 0.11 -1.45 0.50 0.68 -0.69 0.00 0.00 174.62 173.77 2ke0 s VAL 33 N 2.84 4.69 -0.19 3.82 -7.23 -0.62 -4.76 120.40 118.95 2ke0 s VAL 33 Ca 0.29 -0.75 -0.01 0.00 -1.81 0.00 0.00 61.98 59.69 2ke0 s VAL 33 Cb -0.09 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.18 2ke0 s VAL 33 CO -0.05 -0.35 -0.13 -0.44 -0.31 0.00 0.00 175.10 173.82 2ke0 s SER 34 N -4.09 3.70 0.20 4.85 0.01 -0.48 -1.45 113.70 116.43 2ke0 s SER 34 Ca 0.41 -0.51 0.08 0.00 1.31 0.00 0.00 55.95 57.24 2ke0 s SER 34 Cb -0.09 -1.60 -0.05 0.00 0.21 0.00 0.00 66.02 64.49 2ke0 s SER 34 CO 0.33 0.01 -0.15 0.68 0.41 0.00 0.00 173.24 174.52 2ke0 s VAL 35 N 1.25 1.76 -0.11 3.43 -7.23 -0.47 -1.39 120.40 117.65 2ke0 s VAL 35 Ca 0.03 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 2ke0 s VAL 35 Cb -0.14 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 2ke0 s VAL 35 CO -0.06 -0.54 -0.11 -1.00 -0.31 0.00 0.00 175.10 173.08 2ke0 s HIS 36 N -2.79 2.85 -0.15 2.82 3.76 -0.33 -0.80 115.29 120.66 2ke0 s HIS 36 Ca 0.21 -0.37 -0.02 0.00 -0.15 0.00 0.00 55.06 54.73 2ke0 s HIS 36 Cb -0.02 -1.80 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 2ke0 s HIS 36 CO 0.07 -0.01 -0.07 1.52 -0.85 0.00 0.00 174.74 175.40 2ke0 s TYR 37 N -0.05 2.95 -0.33 1.40 1.13 -1.24 -1.13 117.35 120.07 2ke0 s TYR 37 Ca -0.01 -0.42 0.01 0.00 -1.41 0.00 0.00 57.07 55.23 2ke0 s TYR 37 Cb -0.14 -1.92 0.08 0.00 -1.10 0.00 0.00 41.96 38.89 2ke0 s TYR 37 CO 0.03 -0.10 0.04 0.99 -2.51 0.00 0.00 175.55 174.00 2ke0 s THR 38 N 0.36 2.66 0.54 -3.49 2.01 -0.30 -0.94 115.64 116.48 2ke0 s THR 38 Ca -0.07 -1.89 -0.20 0.00 0.31 0.00 0.00 61.69 59.85 2ke0 s THR 38 Cb -0.15 -2.74 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 2ke0 s THR 38 CO 0.04 -0.37 1.14 -0.83 -0.69 0.00 0.00 174.62 173.91 2ke0 s GLY 39 N 1.24 2.66 -0.17 4.40 0.00 0.90 -0.38 107.32 115.97 2ke0 s GLY 39 Ca 0.02 0.86 -0.12 0.00 0.00 0.00 0.00 44.72 45.48 2ke0 s GLY 39 CO -0.05 1.23 0.43 -0.98 0.00 0.00 0.00 173.10 173.73 2ke0 s TRP 40 N -1.73 -0.56 0.87 1.90 0.51 0.14 -3.96 118.94 116.12 2ke0 s TRP 40 Ca 0.73 1.25 -0.13 0.00 -2.12 0.00 0.00 56.10 55.83 2ke0 s TRP 40 Cb -0.25 0.23 0.12 0.00 -0.81 0.00 0.00 33.47 32.76 2ke0 s TRP 40 CO 0.28 -0.29 1.18 -0.51 -0.51 0.00 0.00 176.95 177.10 2ke0 s LEU 41 N 0.83 2.30 0.53 2.99 1.43 0.68 -1.58 118.68 125.85 2ke0 s LEU 41 Ca -0.05 0.79 0.21 0.00 -1.03 0.00 0.00 54.13 54.05 2ke0 s LEU 41 Cb -0.06 -3.15 1.42 0.00 0.03 0.00 0.00 46.19 44.43 2ke0 s LEU 41 CO -0.06 -2.29 2.16 0.71 0.23 0.00 0.00 176.35 177.10 2ke0 h THR 42 N -1.32 0.84 0.00 5.49 1.35 -1.89 -0.23 112.91 117.15 2ke0 h THR 42 Ca -0.47 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 2ke0 h THR 42 Cb 1.32 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2ke0 h THR 42 CO 0.61 0.03 -0.04 0.44 -0.25 0.00 0.00 175.52 176.31 2ke0 h ASP 43 N 0.00 0.00 0.00 5.36 3.32 -1.94 -3.47 116.42 119.69 2ke0 h ASP 43 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ke0 h ASP 43 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2ke0 h ASP 43 CO 0.00 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 2ke0 n GLY 44 N 0.94 0.97 3.82 2.75 0.00 -0.10 -5.09 105.19 108.48 2ke0 n GLY 44 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2ke0 n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ke0 s GLN 45 N -0.68 4.22 -0.17 1.61 -1.52 -1.26 -4.74 119.66 117.11 2ke0 s GLN 45 Ca 0.00 0.78 -0.25 0.00 -1.95 0.00 0.00 55.36 53.94 2ke0 s GLN 45 Cb 0.00 -3.03 -0.01 0.00 -0.22 0.00 0.00 33.01 29.74 2ke0 s GLN 45 CO 0.00 0.50 0.84 0.21 -0.25 0.00 0.00 175.29 176.59 2ke0 s LYS 46 N -1.64 4.29 -0.04 2.91 2.20 -1.26 -0.23 119.74 125.97 2ke0 s LYS 46 Ca 0.37 1.03 0.13 0.00 -0.36 0.00 0.00 55.97 57.14 2ke0 s LYS 46 Cb -0.18 -3.58 -0.20 0.00 -1.51 0.00 0.00 37.83 32.37 2ke0 s LYS 46 CO 0.21 -0.35 0.25 1.97 -0.36 0.00 0.00 175.35 177.07 2ke0 n PHE 47 N 5.30 0.00 -3.66 4.03 1.16 -1.25 -4.98 117.46 118.06 2ke0 n PHE 47 Ca 0.05 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.56 2ke0 n PHE 47 Cb 0.49 -0.36 -0.07 0.00 -1.61 0.00 0.00 39.48 37.92 2ke0 n PHE 47 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2ke0 s ASP 48 N -3.71 -0.80 -0.10 5.98 1.01 -1.26 -5.06 116.67 112.72 2ke0 s ASP 48 Ca -0.05 1.32 0.02 0.00 0.71 0.00 0.00 52.55 54.56 2ke0 s ASP 48 Cb 0.08 1.47 0.01 0.00 1.01 0.00 0.00 42.92 45.49 2ke0 s ASP 48 CO 0.54 -0.22 -0.17 -0.55 0.21 0.00 0.00 175.17 174.97 2ke0 s SER 49 N 2.03 2.55 0.12 0.27 0.15 -1.26 -0.07 113.70 117.48 2ke0 s SER 49 Ca -0.08 -0.46 -0.13 0.00 0.70 0.00 0.00 55.95 55.99 2ke0 s SER 49 Cb -0.08 -1.16 -0.07 0.00 -1.71 0.00 0.00 66.02 63.00 2ke0 s SER 49 CO -0.17 0.06 1.44 -1.28 1.20 0.00 0.00 173.24 174.48 2ke0 h SER 50 N 7.17 0.88 1.43 5.45 0.87 -1.37 -2.94 113.55 125.04 2ke0 h SER 50 Ca -0.29 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 2ke0 h SER 50 Cb 1.19 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2ke0 h SER 50 CO 0.49 1.18 0.00 0.07 -0.53 0.00 0.00 176.83 178.04 2ke0 h LYS 51 N 0.60 0.00 0.00 2.24 5.09 -1.84 -1.92 116.57 120.74 2ke0 h LYS 51 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.78 2ke0 h LYS 51 Cb 0.95 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.28 2ke0 h LYS 51 CO 0.09 0.00 -0.05 0.22 -2.09 0.00 0.00 179.45 177.62 2ke0 h ASP 52 N 0.00 0.00 -0.01 7.07 3.58 -1.90 -1.96 116.42 123.21 2ke0 h ASP 52 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ke0 h ASP 52 Cb 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2ke0 h ASP 52 CO 0.00 0.05 0.00 -1.14 -2.88 0.00 0.00 179.24 175.27 2ke0 n ARG 53 N -3.58 1.90 -3.53 0.28 3.00 -1.14 -4.98 116.66 108.61 2ke0 n ARG 53 Ca -0.02 -2.21 -0.26 0.00 -0.00 0.00 0.00 57.85 55.36 2ke0 n ARG 53 Cb 0.15 -1.33 0.00 0.00 0.00 0.00 0.00 32.46 31.28 2ke0 n ARG 53 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2ke0 n ASN 54 N -1.09 -4.07 -4.08 6.15 3.02 -0.74 -4.90 115.26 109.54 2ke0 n ASN 54 Ca 0.11 -0.52 -0.35 0.00 -0.03 0.00 0.00 54.58 53.78 2ke0 n ASN 54 Cb 0.51 -3.33 -0.07 0.00 -0.61 0.00 0.00 39.78 36.28 2ke0 n ASN 54 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2ke0 n ASP 55 N -2.44 4.10 -4.67 6.41 2.03 -0.73 -5.02 116.55 116.22 2ke0 n ASP 55 Ca -0.00 -3.15 -0.42 0.00 0.52 0.00 0.00 54.79 51.74 2ke0 n ASP 55 Cb 0.54 -1.02 -0.03 0.00 -0.72 0.00 0.00 41.12 39.89 2ke0 n ASP 55 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2ke0 s PRO 56 N -1.41 4.22 -0.56 -0.67 0.04 -1.26 -4.70 135.00 130.66 2ke0 s PRO 56 Ca 0.28 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 63.06 2ke0 s PRO 56 Cb -0.06 -3.79 -0.01 0.00 0.04 0.00 0.00 34.50 30.68 2ke0 s PRO 56 CO -0.13 -0.73 1.67 0.12 0.04 0.00 0.00 177.00 177.97 2ke0 s PHE 57 N 3.34 1.93 -0.16 0.56 2.19 0.02 -4.79 117.98 121.06 2ke0 s PHE 57 Ca 0.66 0.60 -0.06 0.00 0.33 0.00 0.00 56.93 58.47 2ke0 s PHE 57 Cb -0.31 -4.23 -0.04 0.00 -1.31 0.00 0.00 43.02 37.14 2ke0 s PHE 57 CO 0.25 -2.29 0.03 0.00 1.83 0.00 0.00 175.22 175.04 2ke0 s ALA 58 N 7.53 3.28 0.19 11.12 0.00 -1.26 -1.36 121.76 141.26 2ke0 s ALA 58 Ca 0.62 -0.77 -0.23 0.00 0.00 0.00 0.00 51.96 51.58 2ke0 s ALA 58 Cb -0.13 -1.75 0.05 0.00 0.00 0.00 0.00 23.12 21.28 2ke0 s ALA 58 CO 0.24 0.25 0.81 -0.59 0.00 0.00 0.00 175.76 176.47 2ke0 s PHE 59 N 0.17 -0.22 -0.07 0.00 -0.71 -0.53 -4.97 117.98 111.64 2ke0 s PHE 59 Ca 0.02 -0.12 -0.25 0.00 -1.04 0.00 0.00 56.93 55.55 2ke0 s PHE 59 Cb -0.13 0.65 -0.03 0.00 -1.21 0.00 0.00 43.02 42.30 2ke0 s PHE 59 CO 0.01 -0.97 0.77 0.54 -1.34 0.00 0.00 175.22 174.23 2ke0 s VAL 60 N -3.58 4.99 -0.60 -2.49 0.11 -1.26 -1.59 120.40 115.97 2ke0 s VAL 60 Ca 0.10 1.58 -0.26 0.00 -2.93 0.00 0.00 61.98 60.47 2ke0 s VAL 60 Cb -0.03 -4.11 -0.09 0.00 -1.53 0.00 0.00 36.38 30.62 2ke0 s VAL 60 CO 0.01 0.19 2.39 -0.22 -3.33 0.00 0.00 175.10 174.14 2ke0 s LEU 61 N 1.08 3.21 0.00 2.54 2.96 -0.60 -1.32 118.68 126.57 2ke0 s LEU 61 Ca 0.40 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.99 2ke0 s LEU 61 Cb -0.18 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 43.99 2ke0 s LEU 61 CO 0.19 -3.21 0.00 0.61 -1.32 0.00 0.00 176.35 172.61 2ke0 n GLY 62 N 6.29 0.71 0.00 7.98 0.00 -1.26 -1.62 105.19 117.28 2ke0 n GLY 62 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2ke0 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ke0 n GLY 63 N 0.00 -1.89 0.00 -0.02 0.00 -0.43 -4.97 105.19 97.89 2ke0 n GLY 63 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2ke0 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ke0 n GLY 64 N -0.25 0.54 0.33 -0.02 0.00 -1.26 -4.99 105.19 99.55 2ke0 n GLY 64 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 2ke0 n GLY 64 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ke0 h MET 65 N 0.00 0.00 0.00 1.61 -1.53 -1.96 -3.42 114.93 109.63 2ke0 h MET 65 Ca 0.00 0.00 -0.06 0.00 -3.44 0.00 0.00 59.70 56.20 2ke0 h MET 65 Cb 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.06 2ke0 h MET 65 CO 0.00 0.00 0.01 1.33 0.14 0.00 0.00 176.91 178.39 2ke0 n VAL 66 N -3.26 0.00 -3.83 -5.77 0.24 -1.26 -5.13 118.33 99.32 2ke0 n VAL 66 Ca -0.02 -0.23 -0.22 0.00 -2.04 0.00 0.00 64.34 61.83 2ke0 n VAL 66 Cb 0.14 -1.15 -0.04 0.00 -1.47 0.00 0.00 33.84 31.31 2ke0 n VAL 66 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2ke0 s ILE 67 N 0.10 3.24 0.20 1.34 -0.00 -1.26 -4.95 121.20 119.87 2ke0 s ILE 67 Ca 0.09 -1.44 -0.16 0.00 -0.00 0.00 0.00 60.65 59.14 2ke0 s ILE 67 Cb -0.01 -3.10 0.20 0.00 -0.00 0.00 0.00 42.46 39.55 2ke0 s ILE 67 CO 0.06 -0.14 1.60 0.11 -0.00 0.00 0.00 174.94 176.57 2ke0 h LYS 68 N 1.27 -0.07 -0.87 0.37 6.56 -1.96 0.14 116.57 122.01 2ke0 h LYS 68 Ca -0.44 0.00 0.16 0.00 -1.06 0.00 0.00 60.65 59.31 2ke0 h LYS 68 Cb 1.26 0.02 -0.10 0.00 -0.57 0.00 0.00 32.23 32.83 2ke0 h LYS 68 CO 0.59 -0.05 0.46 0.78 -2.06 0.00 0.00 179.45 179.17 2ke0 h GLY 69 N -0.07 1.44 0.69 3.86 0.00 -1.97 0.20 103.07 107.21 2ke0 h GLY 69 Ca 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2ke0 h GLY 69 CO -0.69 -0.05 -0.10 1.49 0.00 0.00 0.00 176.54 177.19 2ke0 h TRP 70 N 0.63 -0.26 -0.49 5.60 4.06 -1.18 -1.80 115.95 122.51 2ke0 h TRP 70 Ca 0.48 -0.01 0.06 0.00 2.06 0.00 0.00 58.89 61.48 2ke0 h TRP 70 Cb 0.70 0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.90 2ke0 h TRP 70 CO -0.08 0.06 0.21 0.22 -3.56 0.00 0.00 178.44 175.29 2ke0 h ASP 71 N -0.59 0.26 -0.64 -3.49 3.58 -0.59 0.92 116.42 115.87 2ke0 h ASP 71 Ca -0.03 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.49 2ke0 h ASP 71 Cb 0.43 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 2ke0 h ASP 71 CO 0.05 0.19 0.39 -0.08 -2.88 0.00 0.00 179.24 176.91 2ke0 h GLU 72 N 0.41 0.75 -0.39 0.28 4.57 -0.61 -1.58 114.58 118.01 2ke0 h GLU 72 Ca 0.23 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.23 2ke0 h GLU 72 Cb 0.19 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2ke0 h GLU 72 CO -0.20 0.50 -0.27 0.78 -1.18 0.00 0.00 179.01 178.64 2ke0 h GLY 73 N 0.78 0.88 0.93 1.92 0.00 -0.65 -3.20 103.07 103.72 2ke0 h GLY 73 Ca 0.26 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2ke0 h GLY 73 CO -0.10 0.72 0.05 -2.08 0.00 0.00 0.00 176.54 175.13 2ke0 h VAL 74 N 0.70 1.09 0.00 4.60 2.07 -0.41 -0.85 116.25 123.45 2ke0 h VAL 74 Ca 0.09 -0.25 -0.56 0.00 0.82 0.00 0.00 66.70 66.79 2ke0 h VAL 74 Cb 0.80 1.08 0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2ke0 h VAL 74 CO 0.07 0.08 3.35 0.00 0.02 0.00 0.00 177.57 181.09 2ke0 n GLN 75 N -4.97 3.13 0.00 1.57 10.64 -0.64 -3.39 117.38 123.73 2ke0 n GLN 75 Ca -0.05 -1.92 0.00 0.00 -1.83 0.00 0.00 57.00 53.19 2ke0 n GLN 75 Cb 0.07 -2.66 0.00 0.00 -0.86 0.00 0.00 30.24 26.79 2ke0 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2ke0 n GLY 76 N 3.61 0.60 3.77 2.61 0.00 -1.21 -4.97 105.19 109.60 2ke0 n GLY 76 Ca 0.67 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 46.31 2ke0 n GLY 76 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2ke0 s MET 77 N 0.00 2.90 0.46 1.61 0.23 -0.33 -4.73 119.30 119.44 2ke0 s MET 77 Ca 0.00 1.41 0.05 0.00 -1.03 0.00 0.00 55.69 56.12 2ke0 s MET 77 Cb 0.00 -1.96 -0.04 0.00 -1.53 0.00 0.00 34.83 31.30 2ke0 s MET 77 CO 0.00 -1.17 0.10 0.15 -2.03 0.00 0.00 175.02 172.07 2ke0 s LYS 78 N -3.98 2.14 -0.09 3.16 1.02 -1.26 -1.51 119.74 119.22 2ke0 s LYS 78 Ca 0.68 -2.12 -0.34 0.00 0.02 0.00 0.00 55.97 54.20 2ke0 s LYS 78 Cb -0.21 -1.75 -0.12 0.00 -0.52 0.00 0.00 37.83 35.23 2ke0 s LYS 78 CO 0.39 -0.23 1.88 0.28 -0.92 0.00 0.00 175.35 176.75 2ke0 n VAL 79 N -1.23 0.57 -0.65 3.17 0.31 -0.15 -0.00 118.33 120.34 2ke0 n VAL 79 Ca -0.08 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2ke0 n VAL 79 Cb 0.66 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 2ke0 n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ke0 n GLY 80 N 4.39 0.82 3.73 2.92 0.00 0.91 -1.88 105.19 116.09 2ke0 n GLY 80 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2ke0 n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ke0 s GLY 81 N -1.66 2.84 -0.08 -0.02 0.00 0.99 -4.32 107.32 105.07 2ke0 s GLY 81 Ca 0.00 0.77 -0.01 0.00 0.00 0.00 0.00 44.72 45.48 2ke0 s GLY 81 CO 0.00 1.65 -0.03 0.14 0.00 0.00 0.00 173.10 174.86 2ke0 s VAL 82 N -0.07 4.04 -0.13 1.40 1.01 0.82 -1.40 120.40 126.06 2ke0 s VAL 82 Ca 0.50 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 2ke0 s VAL 82 Cb -0.28 -2.68 0.06 0.00 0.00 0.00 0.00 36.38 33.48 2ke0 s VAL 82 CO 0.33 0.59 0.29 -0.60 0.00 0.00 0.00 175.10 175.72 2ke0 s ARG 83 N -0.76 0.21 -0.59 2.72 3.00 0.05 -0.25 118.95 123.33 2ke0 s ARG 83 Ca 0.12 0.72 -0.25 0.00 -1.00 0.00 0.00 55.73 55.31 2ke0 s ARG 83 Cb -0.11 -0.02 0.04 0.00 0.00 0.00 0.00 34.95 34.86 2ke0 s ARG 83 CO 0.02 -0.23 1.02 0.50 0.00 0.00 0.00 175.30 176.61 2ke0 s ARG 84 N 1.97 3.32 -0.04 5.12 3.52 0.08 -1.23 118.95 131.69 2ke0 s ARG 84 Ca -0.04 -0.25 -0.14 0.00 -0.13 0.00 0.00 55.73 55.18 2ke0 s ARG 84 Cb -0.11 -4.08 -0.05 0.00 -1.56 0.00 0.00 34.95 29.15 2ke0 s ARG 84 CO -0.09 -1.62 0.36 -1.17 -0.81 0.00 0.00 175.30 171.96 2ke0 s LEU 85 N 4.29 4.43 -0.23 -0.88 2.96 0.25 -0.97 118.68 128.54 2ke0 s LEU 85 Ca 0.32 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 55.07 2ke0 s LEU 85 Cb -0.12 -2.49 0.06 0.00 0.50 0.00 0.00 46.19 44.14 2ke0 s LEU 85 CO 0.19 0.30 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.57 2ke0 s THR 86 N -0.84 1.55 -0.26 3.68 2.01 0.14 0.11 115.64 122.04 2ke0 s THR 86 Ca 0.22 -1.20 -0.06 0.00 0.31 0.00 0.00 61.69 60.96 2ke0 s THR 86 Cb -0.15 -1.79 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 2ke0 s THR 86 CO 0.11 -0.07 0.03 -0.63 -0.69 0.00 0.00 174.62 173.38 2ke0 s ILE 87 N 1.39 3.81 1.00 1.82 1.01 -0.33 -1.54 121.20 128.37 2ke0 s ILE 87 Ca -0.05 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 2ke0 s ILE 87 Cb -0.19 -2.86 0.19 0.00 0.01 0.00 0.00 42.46 39.62 2ke0 s ILE 87 CO -0.06 0.25 1.09 -2.16 0.00 0.00 0.00 174.94 174.06 2ke0 s PRO 88 N 1.51 0.40 0.19 2.79 0.04 -1.26 -1.46 135.00 137.21 2ke0 s PRO 88 Ca 0.04 0.51 -0.05 0.00 0.04 0.00 0.00 61.00 61.55 2ke0 s PRO 88 Cb -0.16 -1.73 0.12 0.00 0.04 0.00 0.00 34.50 32.77 2ke0 s PRO 88 CO 0.01 -2.75 1.55 -1.00 0.04 0.00 0.00 177.00 174.84 2ke0 h PRO 89 N -1.91 0.68 0.00 0.56 0.13 -1.92 0.14 132.00 129.68 2ke0 h PRO 89 Ca -0.55 -0.36 -0.04 0.00 -0.87 0.00 0.00 66.00 64.18 2ke0 h PRO 89 Cb 1.33 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 2ke0 h PRO 89 CO 0.57 0.97 -0.21 -0.56 -0.23 0.00 0.00 178.00 178.55 2ke0 h GLN 90 N 0.56 0.00 0.00 0.86 3.07 -1.93 -1.39 115.11 116.27 2ke0 h GLN 90 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.75 2ke0 h GLN 90 Cb 0.95 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.45 2ke0 h GLN 90 CO 0.09 0.21 -0.58 1.28 0.09 0.00 0.00 178.83 179.92 2ke0 n LEU 91 N -3.78 2.41 0.00 0.06 4.77 -1.12 -4.89 117.00 114.45 2ke0 n LEU 91 Ca -0.02 -3.56 0.00 0.00 -0.03 0.00 0.00 56.01 52.40 2ke0 n LEU 91 Cb 0.31 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2ke0 n LEU 91 CO 0.33 1.24 0.00 0.61 -1.33 0.00 0.00 177.39 178.24 2ke0 n GLY 92 N -0.86 4.46 0.32 -0.72 0.00 0.47 -4.64 105.19 104.23 2ke0 n GLY 92 Ca 0.17 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.65 2ke0 n GLY 92 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2ke0 h TYR 93 N 0.00 0.59 -1.97 1.61 -1.99 -1.75 -3.48 116.97 109.98 2ke0 h TYR 93 Ca 0.00 0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.78 2ke0 h TYR 93 Cb 0.00 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.52 2ke0 h TYR 93 CO 0.00 0.35 -0.05 0.41 -0.00 0.00 0.00 178.16 178.87 2ke0 n GLY 94 N -1.47 -1.10 0.33 3.88 0.00 -0.54 -2.06 105.19 104.23 2ke0 n GLY 94 Ca 0.06 -1.04 0.20 0.00 0.00 0.00 0.00 46.02 45.23 2ke0 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ke0 h ALA 95 N -0.96 1.25 -0.54 4.61 0.00 -1.93 0.20 119.26 121.90 2ke0 h ALA 95 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2ke0 h ALA 95 Cb 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.81 2ke0 h ALA 95 CO 0.00 -0.07 0.23 0.54 0.00 0.00 0.00 179.25 179.94 2ke0 n ARG 96 N -3.31 2.72 0.00 0.00 3.00 -1.21 -4.81 116.66 113.05 2ke0 n ARG 96 Ca -0.02 -2.08 0.00 0.00 -0.01 0.00 0.00 57.85 55.74 2ke0 n ARG 96 Cb 0.14 -1.90 0.00 0.00 0.00 0.00 0.00 32.46 30.69 2ke0 n ARG 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ke0 n GLY 97 N -0.11 -2.13 0.01 -0.13 0.00 0.06 -5.02 105.19 97.87 2ke0 n GLY 97 Ca 0.30 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2ke0 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ke0 n ALA 98 N -3.00 0.11 0.00 4.61 0.00 -0.08 -5.04 120.51 117.11 2ke0 n ALA 98 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2ke0 n ALA 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ke0 n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ke0 n GLY 99 N 2.28 1.24 0.32 0.00 0.00 -0.48 -4.84 105.19 103.71 2ke0 n GLY 99 Ca 0.00 -0.35 0.17 0.00 0.00 0.00 0.00 46.02 45.84 2ke0 n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ke0 h GLY 100 N 0.00 0.00 0.00 -0.02 0.00 -1.99 -2.60 103.07 98.46 2ke0 h GLY 100 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2ke0 h GLY 100 CO 0.00 0.00 -1.58 1.55 0.00 0.00 0.00 176.54 176.51 2ke0 n VAL 101 N -3.69 0.58 -3.35 4.60 3.14 -1.26 -4.91 118.33 113.44 2ke0 n VAL 101 Ca -0.02 -0.24 -0.24 0.00 -2.96 0.00 0.00 64.34 60.88 2ke0 n VAL 101 Cb 0.15 -0.85 -0.09 0.00 -1.06 0.00 0.00 33.84 31.99 2ke0 n VAL 101 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2ke0 s ILE 102 N -2.20 0.10 1.01 1.55 1.01 -1.18 -5.02 121.20 116.46 2ke0 s ILE 102 Ca -0.13 -2.12 -0.12 0.00 0.00 0.00 0.00 60.65 58.28 2ke0 s ILE 102 Cb 0.03 -1.05 0.19 0.00 0.01 0.00 0.00 42.46 41.65 2ke0 s ILE 102 CO 0.25 -1.01 1.09 -2.16 0.00 0.00 0.00 174.94 173.11 2ke0 s PRO 103 N 0.50 0.35 0.88 2.79 0.04 -0.99 -0.90 135.00 137.67 2ke0 s PRO 103 Ca 0.28 0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.70 2ke0 s PRO 103 Cb -0.05 -1.73 0.12 0.00 0.04 0.00 0.00 34.50 32.89 2ke0 s PRO 103 CO -0.12 -2.78 1.09 -1.25 0.04 0.00 0.00 177.00 173.98 2ke0 s PRO 104 N -4.97 1.37 -1.24 0.56 0.04 -1.26 -3.61 135.00 125.89 2ke0 s PRO 104 Ca 0.65 0.86 -0.05 0.00 0.04 0.00 0.00 61.00 62.50 2ke0 s PRO 104 Cb -0.19 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.57 2ke0 s PRO 104 CO 0.58 -2.17 0.33 0.09 0.04 0.00 0.00 177.00 175.87 2ke0 n ASN 105 N -3.84 -4.14 -3.99 6.66 3.02 -1.26 -4.95 115.26 106.75 2ke0 n ASN 105 Ca 0.07 -0.17 -0.23 0.00 -0.03 0.00 0.00 54.58 54.23 2ke0 n ASN 105 Cb 0.55 -3.44 -0.16 0.00 -0.61 0.00 0.00 39.78 36.11 2ke0 n ASN 105 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ke0 s ALA 106 N -2.86 1.07 0.29 5.41 0.00 -1.24 -4.96 121.76 119.48 2ke0 s ALA 106 Ca 0.24 -0.32 -0.23 0.00 0.00 0.00 0.00 51.96 51.65 2ke0 s ALA 106 Cb -0.12 -0.49 -0.09 0.00 0.00 0.00 0.00 23.12 22.41 2ke0 s ALA 106 CO 0.30 0.10 0.86 0.99 0.00 0.00 0.00 175.76 178.01 2ke0 s THR 107 N 0.62 4.35 -0.04 0.00 2.01 -1.26 -3.61 115.64 117.71 2ke0 s THR 107 Ca -0.12 1.60 0.04 0.00 0.31 0.00 0.00 61.69 63.52 2ke0 s THR 107 Cb -0.14 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.44 2ke0 s THR 107 CO 0.02 0.14 -0.14 -1.48 -0.69 0.00 0.00 174.62 172.47 2ke0 s LEU 108 N -2.10 1.87 -0.10 4.42 2.34 -0.54 -4.06 118.68 120.52 2ke0 s LEU 108 Ca 0.48 -0.29 -0.02 0.00 0.06 0.00 0.00 54.13 54.36 2ke0 s LEU 108 Cb -0.17 -0.81 -0.03 0.00 -0.56 0.00 0.00 46.19 44.62 2ke0 s LEU 108 CO 0.22 0.12 0.00 -0.69 -1.06 0.00 0.00 176.35 174.95 2ke0 s VAL 109 N 0.08 4.33 -0.07 1.48 1.01 -0.62 -1.18 120.40 125.44 2ke0 s VAL 109 Ca -0.03 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2ke0 s VAL 109 Cb -0.10 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.45 2ke0 s VAL 109 CO 0.01 0.59 -0.16 -0.36 0.00 0.00 0.00 175.10 175.18 2ke0 s PHE 110 N -0.68 1.76 -0.45 5.22 0.08 0.12 0.26 117.98 124.28 2ke0 s PHE 110 Ca 0.11 -0.64 -0.19 0.00 0.12 0.00 0.00 56.93 56.33 2ke0 s PHE 110 Cb -0.12 -1.23 0.03 0.00 -0.57 0.00 0.00 43.02 41.14 2ke0 s PHE 110 CO 0.02 -0.28 0.56 -2.00 -0.10 0.00 0.00 175.22 173.42 2ke0 s GLU 111 N 0.44 3.16 -0.33 0.44 -6.30 0.49 -0.58 118.70 116.02 2ke0 s GLU 111 Ca -0.13 -0.68 -0.18 0.00 -2.50 0.00 0.00 54.97 51.48 2ke0 s GLU 111 Cb -0.15 -4.00 -0.01 0.00 0.00 0.00 0.00 34.13 29.96 2ke0 s GLU 111 CO 0.05 -1.02 0.51 0.08 0.02 0.00 0.00 175.26 174.89 2ke0 s VAL 112 N 2.50 5.03 -0.21 3.70 1.01 -0.36 -1.15 120.40 130.92 2ke0 s VAL 112 Ca 0.16 0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.60 2ke0 s VAL 112 Cb -0.17 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.35 2ke0 s VAL 112 CO 0.15 -0.14 -0.03 -1.83 0.00 0.00 0.00 175.10 173.25 2ke0 s GLU 113 N 2.36 1.33 0.34 2.72 -1.05 -0.28 -0.77 118.70 123.35 2ke0 s GLU 113 Ca 0.19 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 53.98 2ke0 s GLU 113 Cb -0.15 -2.35 -0.10 0.00 -0.44 0.00 0.00 34.13 31.08 2ke0 s GLU 113 CO 0.12 -0.58 1.35 -1.17 0.95 0.00 0.00 175.26 175.93 2ke0 s LEU 114 N 1.56 4.40 -0.16 1.83 0.20 -0.49 -1.19 118.68 124.84 2ke0 s LEU 114 Ca -0.03 2.77 -0.08 0.00 0.69 0.00 0.00 54.13 57.48 2ke0 s LEU 114 Cb -0.18 -3.65 -0.07 0.00 -0.43 0.00 0.00 46.19 41.86 2ke0 s LEU 114 CO -0.07 -0.61 -0.20 0.18 -0.29 0.00 0.00 176.35 175.35 2ke0 n LEU 115 N 0.72 1.17 -3.52 -0.68 4.77 -0.49 -0.06 117.00 118.92 2ke0 n LEU 115 Ca 0.00 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 2ke0 n LEU 115 Cb 0.41 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 2ke0 n LEU 115 CO 0.60 0.34 0.71 -0.62 -1.33 0.00 0.00 177.39 177.10 2ke0 s ASP 116 N -6.41 -0.36 0.00 -1.43 2.15 -1.20 -4.31 116.67 105.10 2ke0 s ASP 116 Ca -0.22 0.10 0.17 0.00 0.43 0.00 0.00 52.55 53.02 2ke0 s ASP 116 Cb 0.09 0.36 0.13 0.00 -0.30 0.00 0.00 42.92 43.20 2ke0 s ASP 116 CO 0.28 -0.55 1.03 1.33 -0.17 0.00 0.00 175.17 177.09