#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 4.35 -0.15 1.61 0.04 -1.26 -5.03 135.00 134.56 2ke0 s PRO 2 Ca 0.00 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 2ke0 s PRO 2 Cb 0.00 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.34 2ke0 s PRO 2 CO 0.00 -0.37 0.39 0.20 0.04 0.00 0.00 177.00 177.27 2ke0 s GLY 3 N 0.88 -0.30 -0.08 0.56 0.00 -1.26 -5.15 107.32 101.97 2ke0 s GLY 3 Ca 0.62 1.22 0.04 0.00 0.00 0.00 0.00 44.72 46.60 2ke0 s GLY 3 CO 0.32 1.17 -0.19 -0.56 0.00 0.00 0.00 173.10 173.84 2ke0 s SER 4 N 0.59 2.55 -0.04 1.64 0.01 -1.26 -5.13 113.70 112.06 2ke0 s SER 4 Ca -0.03 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.81 2ke0 s SER 4 Cb -0.05 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.10 2ke0 s SER 4 CO -0.04 0.12 -0.13 -0.04 0.41 0.00 0.00 173.24 173.57 2ke0 s MET 5 N 0.38 1.36 -0.19 12.44 -1.94 -1.26 -5.13 119.30 124.96 2ke0 s MET 5 Ca -0.15 -0.44 -0.05 0.00 -1.71 0.00 0.00 55.69 53.34 2ke0 s MET 5 Cb -0.16 -1.21 -0.03 0.00 2.01 0.00 0.00 34.83 35.44 2ke0 s MET 5 CO 0.06 0.16 -0.01 0.95 -0.01 0.00 0.00 175.02 176.18 2ke0 s THR 6 N 0.17 3.96 0.10 2.05 -4.23 -1.26 -5.11 115.64 111.33 2ke0 s THR 6 Ca -0.04 -0.31 0.07 0.00 -1.18 0.00 0.00 61.69 60.23 2ke0 s THR 6 Cb -0.10 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 2ke0 s THR 6 CO 0.01 0.44 -0.12 0.54 -0.54 0.00 0.00 174.62 174.96 2ke0 s VAL 7 N 0.86 3.26 0.02 2.29 0.11 -1.26 -4.84 120.40 120.83 2ke0 s VAL 7 Ca 0.01 -1.30 -0.10 0.00 -2.93 0.00 0.00 61.98 57.66 2ke0 s VAL 7 Cb -0.14 -2.51 0.01 0.00 -1.53 0.00 0.00 36.38 32.20 2ke0 s VAL 7 CO 0.02 0.12 0.20 0.54 -3.33 0.00 0.00 175.10 172.65 2ke0 s VAL 8 N -1.19 0.09 0.05 2.04 0.11 -1.26 -5.06 120.40 115.18 2ke0 s VAL 8 Ca 0.20 -0.74 -0.06 0.00 -2.93 0.00 0.00 61.98 58.46 2ke0 s VAL 8 Cb -0.11 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 2ke0 s VAL 8 CO 0.13 -0.41 0.10 0.28 -3.33 0.00 0.00 175.10 171.87 2ke0 s THR 9 N -1.90 0.15 0.19 5.04 -1.32 -1.26 -3.57 115.64 112.97 2ke0 s THR 9 Ca -0.10 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.15 2ke0 s THR 9 Cb -0.04 -1.13 -0.00 0.00 -1.51 0.00 0.00 72.50 69.82 2ke0 s THR 9 CO -0.00 -0.68 0.01 0.35 -2.21 0.00 0.00 174.62 172.09 2ke0 n THR 10 N 0.42 0.00 -0.24 5.08 -2.24 -1.21 -4.97 114.28 111.12 2ke0 n THR 10 Ca -0.17 -0.94 0.11 0.00 -2.27 0.00 0.00 64.05 60.78 2ke0 n THR 10 Cb 0.60 0.22 0.39 0.00 -2.10 0.00 0.00 70.33 69.44 2ke0 n THR 10 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2ke0 h GLU 11 N 0.00 0.65 -0.40 -0.78 4.11 -2.03 -1.27 114.58 114.86 2ke0 h GLU 11 Ca -0.16 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.17 2ke0 h GLU 11 Cb 0.50 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2ke0 h GLU 11 CO 0.26 0.43 -0.01 0.66 0.07 0.00 0.00 179.01 180.42 2ke0 h SER 12 N 0.67 0.70 0.00 3.06 4.64 -2.00 -3.47 113.55 117.14 2ke0 h SER 12 Ca 0.41 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2ke0 h SER 12 Cb 0.66 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2ke0 h SER 12 CO -0.18 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 2ke0 n GLY 13 N -0.35 1.70 3.41 -0.77 0.00 -0.48 -5.05 105.19 103.64 2ke0 n GLY 13 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.11 -3.89 0.99 -0.00 -1.26 -4.60 117.00 107.12 2ke0 n LEU 14 Ca 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 56.01 55.87 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 -3.15 -0.37 -1.59 -0.00 0.00 0.00 177.39 172.28 2ke0 s LYS 15 N -3.94 0.09 0.15 1.47 0.00 -0.58 -3.34 119.74 113.59 2ke0 s LYS 15 Ca 0.62 -0.05 -0.03 0.00 0.00 0.00 0.00 55.97 56.51 2ke0 s LYS 15 Cb -0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 37.83 37.53 2ke0 s LYS 15 CO 0.65 0.02 0.12 1.52 0.00 0.00 0.00 175.35 177.66 2ke0 s TYR 16 N -0.07 0.81 -0.15 1.78 -0.85 -1.23 0.45 117.35 118.08 2ke0 s TYR 16 Ca -0.00 -1.16 -0.09 0.00 -0.52 0.00 0.00 57.07 55.30 2ke0 s TYR 16 Cb -0.01 -0.40 0.05 0.00 0.38 0.00 0.00 41.96 41.99 2ke0 s TYR 16 CO -0.00 -0.58 0.37 -2.00 -1.52 0.00 0.00 175.55 171.82 2ke0 s GLU 17 N -4.05 0.36 0.41 -3.49 2.12 -0.21 -4.12 118.70 109.72 2ke0 s GLU 17 Ca 0.25 0.71 -0.25 0.00 0.36 0.00 0.00 54.97 56.04 2ke0 s GLU 17 Cb 0.06 -0.02 -0.10 0.00 0.26 0.00 0.00 34.13 34.33 2ke0 s GLU 17 CO 0.03 -0.15 1.09 -3.47 -0.54 0.00 0.00 175.26 172.22 2ke0 n ASP 18 N 4.12 1.65 -0.01 -1.70 -0.08 -1.26 -0.90 116.55 118.37 2ke0 n ASP 18 Ca -0.23 1.06 -0.01 0.00 -1.51 0.00 0.00 54.79 54.11 2ke0 n ASP 18 Cb 0.55 -1.39 -0.01 0.00 2.34 0.00 0.00 41.12 42.61 2ke0 n ASP 18 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ke0 n LEU 19 N 0.44 2.30 -3.64 -2.67 4.77 0.33 -4.70 117.00 113.83 2ke0 n LEU 19 Ca 0.09 -0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 56.02 2ke0 n LEU 19 Cb 0.39 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 2ke0 n LEU 19 CO 0.58 0.41 0.31 -0.89 -1.33 0.00 0.00 177.39 176.47 2ke0 s THR 20 N -2.03 -0.49 0.32 -5.08 2.01 0.95 -4.89 115.64 106.44 2ke0 s THR 20 Ca -0.02 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 2ke0 s THR 20 Cb 0.00 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.41 2ke0 s THR 20 CO 0.04 0.00 1.35 -1.61 -0.69 0.00 0.00 174.62 173.71 2ke0 s GLU 21 N 2.26 4.31 0.30 4.92 0.41 -1.26 -0.96 118.70 128.68 2ke0 s GLU 21 Ca -0.08 2.27 -0.12 0.00 -0.41 0.00 0.00 54.97 56.63 2ke0 s GLU 21 Cb -0.08 -3.07 -0.08 0.00 -1.78 0.00 0.00 34.13 29.12 2ke0 s GLU 21 CO -0.19 -0.27 0.67 0.20 -0.49 0.00 0.00 175.26 175.18 2ke0 s GLY 22 N -0.28 2.23 -0.30 -1.39 0.00 -1.26 -4.62 107.32 101.70 2ke0 s GLY 22 Ca 0.51 -0.13 0.10 0.00 0.00 0.00 0.00 44.72 45.20 2ke0 s GLY 22 CO 0.52 0.05 1.16 1.44 0.00 0.00 0.00 173.10 176.27 2ke0 n SER 23 N -0.46 4.29 0.00 1.64 7.64 -1.19 -4.93 113.62 120.60 2ke0 n SER 23 Ca 0.02 -3.44 0.00 0.00 1.01 0.00 0.00 58.87 56.46 2ke0 n SER 23 Cb 0.53 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2ke0 n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ke0 n GLY 24 N -0.65 1.87 2.92 0.23 0.00 -1.22 -5.00 105.19 103.33 2ke0 n GLY 24 Ca 0.37 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 0.25 0.12 4.61 0.00 -1.26 -4.85 121.76 118.62 2ke0 s ALA 25 Ca 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.60 2ke0 s ALA 25 Cb 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 23.12 22.98 2ke0 s ALA 25 CO 0.00 0.06 0.72 -2.00 0.00 0.00 0.00 175.76 174.54 2ke0 s GLU 26 N -0.06 4.47 0.78 0.00 2.12 -1.26 -1.06 118.70 123.69 2ke0 s GLU 26 Ca 0.01 1.04 -0.12 0.00 0.36 0.00 0.00 54.97 56.26 2ke0 s GLU 26 Cb -0.01 -3.28 0.07 0.00 0.26 0.00 0.00 34.13 31.17 2ke0 s GLU 26 CO -0.00 0.53 1.12 0.00 -0.54 0.00 0.00 175.26 176.37 2ke0 s ALA 27 N -0.92 2.09 0.05 6.30 0.00 -0.65 -4.98 121.76 123.65 2ke0 s ALA 27 Ca 0.35 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.72 2ke0 s ALA 27 Cb -0.22 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2ke0 s ALA 27 CO 0.24 -1.93 0.08 1.03 0.00 0.00 0.00 175.76 175.18 2ke0 s ARG 28 N -4.59 0.66 0.07 0.00 0.52 -1.26 -4.25 118.95 110.10 2ke0 s ARG 28 Ca 0.65 -0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 2ke0 s ARG 28 Cb -0.20 0.25 -0.10 0.00 0.52 0.00 0.00 34.95 35.42 2ke0 s ARG 28 CO 0.53 -0.17 1.93 0.00 0.02 0.00 0.00 175.30 177.61 2ke0 s ALA 29 N -3.32 3.66 0.00 2.13 0.00 -1.26 -1.22 121.76 121.75 2ke0 s ALA 29 Ca 0.01 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2ke0 s ALA 29 Cb 0.03 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2ke0 s ALA 29 CO -0.08 -1.44 0.00 0.41 0.00 0.00 0.00 175.76 174.65 2ke0 n GLY 30 N 4.44 0.61 3.80 0.00 0.00 0.12 -4.97 105.19 109.18 2ke0 n GLY 30 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.80 3.25 -0.14 1.61 0.74 -0.36 -4.83 119.66 119.13 2ke0 s GLN 31 Ca 0.00 -0.24 -0.19 0.00 0.05 0.00 0.00 55.36 54.98 2ke0 s GLN 31 Cb 0.00 -3.03 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 2ke0 s GLN 31 CO 0.00 0.75 0.50 0.99 -0.55 0.00 0.00 175.29 176.98 2ke0 s THR 32 N -0.97 5.16 0.10 -0.34 2.01 -1.26 -1.34 115.64 118.99 2ke0 s THR 32 Ca 0.14 0.98 -0.05 0.00 0.31 0.00 0.00 61.69 63.08 2ke0 s THR 32 Cb -0.12 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 2ke0 s THR 32 CO 0.03 0.28 0.11 0.68 -0.69 0.00 0.00 174.62 175.03 2ke0 s VAL 33 N 0.91 0.15 -0.17 3.82 -7.23 -0.71 -4.60 120.40 112.56 2ke0 s VAL 33 Ca 0.26 -1.57 -0.00 0.00 -1.81 0.00 0.00 61.98 58.86 2ke0 s VAL 33 Cb -0.15 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.16 2ke0 s VAL 33 CO 0.10 -0.67 -0.14 -0.44 -0.31 0.00 0.00 175.10 173.64 2ke0 s SER 34 N -2.94 3.68 0.17 4.85 0.01 -0.41 -1.42 113.70 117.63 2ke0 s SER 34 Ca 0.12 -0.48 0.07 0.00 1.31 0.00 0.00 55.95 56.96 2ke0 s SER 34 Cb 0.06 -1.58 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 2ke0 s SER 34 CO -0.06 0.06 -0.15 0.68 0.41 0.00 0.00 173.24 174.18 2ke0 s VAL 35 N 0.96 1.58 -0.11 3.43 -7.23 -0.49 -0.99 120.40 117.55 2ke0 s VAL 35 Ca -0.02 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2ke0 s VAL 35 Cb -0.15 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 2ke0 s VAL 35 CO -0.02 -0.51 -0.10 -1.00 -0.31 0.00 0.00 175.10 173.16 2ke0 s HIS 36 N -2.60 2.87 -0.14 2.82 3.76 -0.46 -0.40 115.29 121.14 2ke0 s HIS 36 Ca 0.17 -0.36 -0.02 0.00 -0.15 0.00 0.00 55.06 54.70 2ke0 s HIS 36 Cb -0.02 -1.82 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 2ke0 s HIS 36 CO 0.05 -0.01 -0.08 1.52 -0.85 0.00 0.00 174.74 175.37 2ke0 s TYR 37 N -0.03 2.92 -0.34 1.40 1.13 -1.24 -1.39 117.35 119.80 2ke0 s TYR 37 Ca -0.02 -0.46 0.00 0.00 -1.41 0.00 0.00 57.07 55.18 2ke0 s TYR 37 Cb -0.14 -1.90 0.08 0.00 -1.10 0.00 0.00 41.96 38.91 2ke0 s TYR 37 CO 0.03 -0.12 0.06 0.99 -2.51 0.00 0.00 175.55 174.00 2ke0 s THR 38 N 0.33 2.76 0.42 -3.49 2.01 -0.26 -3.34 115.64 114.07 2ke0 s THR 38 Ca -0.07 -1.88 -0.25 0.00 0.31 0.00 0.00 61.69 59.80 2ke0 s THR 38 Cb -0.15 -2.80 -0.08 0.00 0.01 0.00 0.00 72.50 69.48 2ke0 s THR 38 CO 0.04 -0.40 1.17 -0.83 -0.69 0.00 0.00 174.62 173.92 2ke0 s GLY 39 N 1.30 2.84 -0.12 4.40 0.00 0.83 -0.78 107.32 115.78 2ke0 s GLY 39 Ca 0.03 0.96 -0.09 0.00 0.00 0.00 0.00 44.72 45.62 2ke0 s GLY 39 CO -0.04 1.46 0.31 -0.98 0.00 0.00 0.00 173.10 173.85 2ke0 s TRP 40 N -1.45 -0.39 0.96 1.90 0.51 0.13 -3.45 118.94 117.14 2ke0 s TRP 40 Ca 0.59 0.91 -0.15 0.00 -2.12 0.00 0.00 56.10 55.33 2ke0 s TRP 40 Cb -0.30 0.13 0.18 0.00 -0.81 0.00 0.00 33.47 32.66 2ke0 s TRP 40 CO 0.38 -0.22 1.24 -0.51 -0.51 0.00 0.00 176.95 177.32 2ke0 s LEU 41 N 0.73 2.28 0.33 2.99 1.43 0.86 -1.53 118.68 125.77 2ke0 s LEU 41 Ca -0.05 0.53 0.25 0.00 -1.03 0.00 0.00 54.13 53.84 2ke0 s LEU 41 Cb -0.06 -2.67 1.16 0.00 0.03 0.00 0.00 46.19 44.65 2ke0 s LEU 41 CO -0.05 -2.73 1.77 0.71 0.23 0.00 0.00 176.35 176.27 2ke0 h THR 42 N -1.63 0.00 0.00 5.49 1.35 -1.90 -1.80 112.91 114.42 2ke0 h THR 42 Ca -0.46 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2ke0 h THR 42 Cb 1.28 0.90 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2ke0 h THR 42 CO 0.47 0.00 -1.35 -0.90 -0.25 0.00 0.00 175.52 173.49 2ke0 n ASP 43 N -2.39 0.56 0.00 5.36 5.68 -1.26 -4.96 116.55 119.54 2ke0 n ASP 43 Ca 0.01 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.51 2ke0 n ASP 43 Cb 0.18 0.98 0.00 0.00 -1.14 0.00 0.00 41.12 41.14 2ke0 n ASP 43 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ke0 n GLY 44 N 1.21 1.07 3.76 6.12 0.00 -0.68 -5.10 105.19 111.57 2ke0 n GLY 44 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.49 4.58 -0.26 1.61 1.11 -1.26 -4.73 119.66 120.22 2ke0 s GLN 45 Ca 0.00 1.18 -0.24 0.00 0.01 0.00 0.00 55.36 56.32 2ke0 s GLN 45 Cb 0.00 -3.31 -0.01 0.00 -1.01 0.00 0.00 33.01 28.68 2ke0 s GLN 45 CO 0.00 0.42 0.79 0.21 0.01 0.00 0.00 175.29 176.72 2ke0 s LYS 46 N -0.63 4.13 -0.01 2.91 2.36 -1.26 -0.10 119.74 127.13 2ke0 s LYS 46 Ca 0.38 0.80 0.12 0.00 -2.55 0.00 0.00 55.97 54.73 2ke0 s LYS 46 Cb -0.22 -3.66 -0.18 0.00 -1.05 0.00 0.00 37.83 32.72 2ke0 s LYS 46 CO 0.26 -0.54 0.31 1.97 1.55 0.00 0.00 175.35 178.91 2ke0 n PHE 47 N 6.00 0.00 -3.84 4.03 1.16 -1.22 -4.99 117.46 118.60 2ke0 n PHE 47 Ca 0.04 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.50 2ke0 n PHE 47 Cb 0.48 -0.22 -0.13 0.00 -1.61 0.00 0.00 39.48 38.00 2ke0 n PHE 47 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2ke0 s ASP 48 N -3.12 -0.08 -0.30 5.98 -1.08 -1.26 -5.00 116.67 111.81 2ke0 s ASP 48 Ca -0.03 0.16 -0.04 0.00 -0.52 0.00 0.00 52.55 52.13 2ke0 s ASP 48 Cb 0.08 0.16 0.19 0.00 -1.46 0.00 0.00 42.92 41.88 2ke0 s ASP 48 CO 0.50 -0.04 0.71 -0.55 0.52 0.00 0.00 175.17 176.32 2ke0 s SER 49 N 0.13 -1.16 0.13 -0.34 0.15 -1.26 -0.12 113.70 111.24 2ke0 s SER 49 Ca -0.01 0.73 -0.11 0.00 0.70 0.00 0.00 55.95 57.26 2ke0 s SER 49 Cb -0.01 1.97 -0.07 0.00 -1.71 0.00 0.00 66.02 66.20 2ke0 s SER 49 CO -0.00 -0.22 1.43 0.77 1.20 0.00 0.00 173.24 176.42 2ke0 h SER 50 N 8.00 0.98 -0.25 5.45 4.64 -1.83 -2.93 113.55 127.61 2ke0 h SER 50 Ca -0.21 -0.50 0.07 0.00 -0.47 0.00 0.00 61.79 60.69 2ke0 h SER 50 Cb 1.16 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 2ke0 h SER 50 CO 0.17 1.30 0.27 0.07 -0.87 0.00 0.00 176.83 177.77 2ke0 h LYS 51 N 0.70 0.00 0.00 4.77 5.09 -1.84 0.30 116.57 125.59 2ke0 h LYS 51 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.76 2ke0 h LYS 51 Cb 1.10 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.42 2ke0 h LYS 51 CO 0.11 0.00 -0.06 -0.44 -2.09 0.00 0.00 179.45 176.98 2ke0 h ASP 52 N 0.00 0.00 0.00 7.07 3.32 -1.92 -2.70 116.42 122.19 2ke0 h ASP 52 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2ke0 h ASP 52 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2ke0 h ASP 52 CO -0.00 0.06 -0.06 0.54 -1.72 0.00 0.00 179.24 178.06 2ke0 n ARG 53 N -3.27 1.58 -2.89 3.56 5.12 0.91 -4.98 116.66 116.70 2ke0 n ARG 53 Ca -0.01 -1.90 -0.18 0.00 -1.93 0.00 0.00 57.85 53.83 2ke0 n ARG 53 Cb 0.25 -1.15 -0.00 0.00 -1.16 0.00 0.00 32.46 30.39 2ke0 n ARG 53 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2ke0 n ASN 54 N -0.87 -4.04 -3.87 0.55 3.02 -0.40 -4.89 115.26 104.76 2ke0 n ASN 54 Ca 0.08 -0.10 -0.33 0.00 -0.03 0.00 0.00 54.58 54.20 2ke0 n ASN 54 Cb 0.51 -3.37 -0.07 0.00 -0.61 0.00 0.00 39.78 36.25 2ke0 n ASN 54 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2ke0 n ASP 55 N -2.08 4.26 -4.77 6.41 9.92 -0.72 -4.99 116.55 124.58 2ke0 n ASP 55 Ca -0.09 -3.28 -0.37 0.00 -0.53 0.00 0.00 54.79 50.53 2ke0 n ASP 55 Cb 0.58 -0.94 -0.01 0.00 -0.64 0.00 0.00 41.12 40.11 2ke0 n ASP 55 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2ke0 s PRO 56 N -1.92 3.80 -0.64 -0.24 0.04 -1.26 -4.67 135.00 130.12 2ke0 s PRO 56 Ca 0.31 1.79 -0.26 0.00 0.04 0.00 0.00 61.00 62.88 2ke0 s PRO 56 Cb 0.01 -2.45 0.04 0.00 0.04 0.00 0.00 34.50 32.14 2ke0 s PRO 56 CO -0.07 -0.52 1.11 0.12 0.04 0.00 0.00 177.00 177.68 2ke0 s PHE 57 N -1.52 2.57 -0.21 0.56 2.19 0.47 -4.86 117.98 117.18 2ke0 s PHE 57 Ca 0.62 -0.03 -0.08 0.00 0.33 0.00 0.00 56.93 57.77 2ke0 s PHE 57 Cb -0.29 -4.39 -0.04 0.00 -1.31 0.00 0.00 43.02 36.99 2ke0 s PHE 57 CO 0.35 -1.69 0.09 0.00 1.83 0.00 0.00 175.22 175.80 2ke0 s ALA 58 N 4.75 3.41 0.22 11.12 0.00 -1.26 -1.40 121.76 138.62 2ke0 s ALA 58 Ca 0.33 -0.84 -0.22 0.00 0.00 0.00 0.00 51.96 51.23 2ke0 s ALA 58 Cb -0.11 -2.04 0.04 0.00 0.00 0.00 0.00 23.12 21.02 2ke0 s ALA 58 CO 0.18 -0.01 0.74 -0.59 0.00 0.00 0.00 175.76 176.07 2ke0 s PHE 59 N 0.72 -0.26 -0.11 0.00 -0.71 -0.51 -4.98 117.98 112.12 2ke0 s PHE 59 Ca 0.04 -0.11 -0.15 0.00 -1.04 0.00 0.00 56.93 55.67 2ke0 s PHE 59 Cb -0.13 0.66 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 2ke0 s PHE 59 CO 0.02 -1.07 0.36 0.14 -1.34 0.00 0.00 175.22 173.33 2ke0 s VAL 60 N -3.76 5.23 -0.68 -2.49 -7.23 -1.26 -1.74 120.40 108.46 2ke0 s VAL 60 Ca 0.09 0.70 -0.26 0.00 -1.81 0.00 0.00 61.98 60.70 2ke0 s VAL 60 Cb -0.04 -3.69 -0.09 0.00 0.56 0.00 0.00 36.38 33.12 2ke0 s VAL 60 CO 0.02 0.42 2.29 -0.22 -0.31 0.00 0.00 175.10 177.30 2ke0 s LEU 61 N 0.12 3.13 0.00 1.32 0.20 -0.45 -2.12 118.68 120.88 2ke0 s LEU 61 Ca 0.20 0.34 0.00 0.00 0.69 0.00 0.00 54.13 55.36 2ke0 s LEU 61 Cb -0.14 -2.53 0.00 0.00 -0.43 0.00 0.00 46.19 43.09 2ke0 s LEU 61 CO 0.08 -3.24 0.00 0.61 -0.29 0.00 0.00 176.35 173.50 2ke0 n GLY 62 N 6.43 0.35 0.00 7.98 0.00 -1.26 0.10 105.19 118.78 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 -1.63 0.00 -0.02 0.00 -0.90 -4.98 105.19 97.65 2ke0 n GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.62 0.31 -0.02 0.00 -1.26 -5.01 105.19 99.82 2ke0 n GLY 64 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2ke0 n GLY 64 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2ke0 h MET 65 N 0.00 0.60 0.00 1.61 2.86 -1.97 -3.42 114.93 114.61 2ke0 h MET 65 Ca 0.00 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 2ke0 h MET 65 Cb 0.00 -0.14 0.03 0.00 0.06 0.00 0.00 31.60 31.55 2ke0 h MET 65 CO 0.00 0.40 0.03 1.33 1.06 0.00 0.00 176.91 179.72 2ke0 n VAL 66 N -4.87 0.00 -4.03 -2.22 0.24 -1.26 -5.08 118.33 101.11 2ke0 n VAL 66 Ca 0.17 -0.08 -0.22 0.00 -2.04 0.00 0.00 64.34 62.17 2ke0 n VAL 66 Cb 0.45 -1.23 -0.05 0.00 -1.47 0.00 0.00 33.84 31.54 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 -1.30 3.71 0.22 1.34 -0.00 -1.26 -4.97 121.20 118.94 2ke0 s ILE 67 Ca 0.10 -1.52 -0.12 0.00 -0.00 0.00 0.00 60.65 59.10 2ke0 s ILE 67 Cb -0.01 -3.17 0.27 0.00 -0.00 0.00 0.00 42.46 39.55 2ke0 s ILE 67 CO 0.07 -0.26 1.62 0.11 -0.00 0.00 0.00 174.94 176.48 2ke0 h LYS 68 N 1.47 0.00 -0.82 0.37 1.79 -1.94 0.13 116.57 117.57 2ke0 h LYS 68 Ca -0.46 -0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.15 2ke0 h LYS 68 Cb 1.25 -0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.81 2ke0 h LYS 68 CO 0.60 0.00 0.41 0.78 -1.08 0.00 0.00 179.45 180.17 2ke0 h GLY 69 N 0.00 1.30 0.78 3.86 0.00 -1.97 0.25 103.07 107.30 2ke0 h GLY 69 Ca 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2ke0 h GLY 69 CO -0.71 -0.02 -0.13 1.49 0.00 0.00 0.00 176.54 177.18 2ke0 h TRP 70 N 0.61 -0.33 -0.84 5.60 4.06 -1.18 -1.96 115.95 121.92 2ke0 h TRP 70 Ca 0.44 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.42 2ke0 h TRP 70 Cb 0.59 0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.80 2ke0 h TRP 70 CO -0.10 -0.06 0.53 -0.44 -3.56 0.00 0.00 178.44 174.81 2ke0 h ASP 71 N -0.58 0.85 -0.78 -3.49 3.32 -0.78 0.14 116.42 115.10 2ke0 h ASP 71 Ca -0.04 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.04 2ke0 h ASP 71 Cb 0.42 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 2ke0 h ASP 71 CO 0.06 0.57 0.51 -0.08 -1.72 0.00 0.00 179.24 178.58 2ke0 h GLU 72 N 1.00 0.99 -0.01 3.56 4.22 -0.45 -0.24 114.58 123.65 2ke0 h GLU 72 Ca 0.35 -0.06 -0.19 0.00 0.08 0.00 0.00 59.36 59.54 2ke0 h GLU 72 Cb 0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2ke0 h GLU 72 CO -0.14 0.65 -0.84 0.78 -2.18 0.00 0.00 179.01 177.29 2ke0 h GLY 73 N 1.02 0.22 2.00 1.92 0.00 -0.65 -3.19 103.07 104.39 2ke0 h GLY 73 Ca 0.30 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 2ke0 h GLY 73 CO -0.08 0.33 -0.49 -2.08 0.00 0.00 0.00 176.54 174.21 2ke0 h VAL 74 N 0.11 1.24 -0.34 4.60 2.07 -0.32 -1.11 116.25 122.51 2ke0 h VAL 74 Ca -0.04 -1.75 -0.26 0.00 0.82 0.00 0.00 66.70 65.48 2ke0 h VAL 74 Cb 1.45 1.97 -0.09 0.00 -1.52 0.00 0.00 31.29 33.10 2ke0 h VAL 74 CO 0.13 0.48 -0.02 0.00 0.02 0.00 0.00 177.57 178.17 2ke0 n GLN 75 N -3.79 1.92 0.00 1.57 10.64 -0.14 -3.79 117.38 123.79 2ke0 n GLN 75 Ca -0.01 -1.25 0.00 0.00 -1.83 0.00 0.00 57.00 53.90 2ke0 n GLN 75 Cb 0.53 -1.83 0.00 0.00 -0.86 0.00 0.00 30.24 28.09 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 1.65 0.19 3.73 2.61 0.00 -1.22 -5.00 105.19 107.15 2ke0 n GLY 76 Ca 0.36 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 2ke0 n GLY 76 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ke0 s MET 77 N 0.00 2.31 0.23 1.61 -1.94 -0.42 -4.68 119.30 116.42 2ke0 s MET 77 Ca 0.00 1.83 0.11 0.00 -1.71 0.00 0.00 55.69 55.92 2ke0 s MET 77 Cb 0.00 -1.85 -0.05 0.00 2.01 0.00 0.00 34.83 34.95 2ke0 s MET 77 CO 0.00 -1.72 -0.21 0.15 -0.01 0.00 0.00 175.02 173.23 2ke0 s LYS 78 N -3.74 1.57 0.06 2.03 1.02 -1.26 -1.63 119.74 117.79 2ke0 s LYS 78 Ca 0.76 -1.64 -0.36 0.00 0.02 0.00 0.00 55.97 54.76 2ke0 s LYS 78 Cb -0.31 -1.75 -0.15 0.00 -0.52 0.00 0.00 37.83 35.10 2ke0 s LYS 78 CO 0.43 0.35 1.54 0.28 -0.92 0.00 0.00 175.35 177.03 2ke0 n VAL 79 N -0.18 0.10 -0.75 3.17 0.31 -0.22 -0.10 118.33 120.65 2ke0 n VAL 79 Ca -0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2ke0 n VAL 79 Cb 0.58 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 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 3.27 0.88 3.85 2.92 0.00 0.11 -3.18 105.19 113.03 2ke0 n GLY 80 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.76 2.40 -0.02 -0.02 0.00 0.86 -4.66 107.32 104.11 2ke0 s GLY 81 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 44.72 44.67 2ke0 s GLY 81 CO 0.00 0.10 -0.26 0.14 0.00 0.00 0.00 173.10 173.09 2ke0 s VAL 82 N -1.66 2.03 -0.07 1.40 1.01 -0.13 -0.48 120.40 122.51 2ke0 s VAL 82 Ca 0.44 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2ke0 s VAL 82 Cb -0.13 -1.69 0.04 0.00 0.00 0.00 0.00 36.38 34.60 2ke0 s VAL 82 CO 0.20 0.57 0.16 -0.60 0.00 0.00 0.00 175.10 175.43 2ke0 s ARG 83 N -0.54 0.11 -0.48 2.72 6.06 0.16 -0.03 118.95 126.94 2ke0 s ARG 83 Ca 0.08 0.38 -0.25 0.00 -2.50 0.00 0.00 55.73 53.44 2ke0 s ARG 83 Cb -0.10 -0.16 0.03 0.00 0.06 0.00 0.00 34.95 34.78 2ke0 s ARG 83 CO -0.00 -0.16 0.89 0.50 -2.50 0.00 0.00 175.30 174.03 2ke0 s ARG 84 N 1.12 3.45 -0.07 5.12 3.52 -0.08 -1.20 118.95 130.81 2ke0 s ARG 84 Ca -0.09 -0.01 -0.14 0.00 -0.13 0.00 0.00 55.73 55.36 2ke0 s ARG 84 Cb -0.11 -3.96 -0.05 0.00 -1.56 0.00 0.00 34.95 29.27 2ke0 s ARG 84 CO -0.06 -1.26 0.36 -1.17 -0.81 0.00 0.00 175.30 172.37 2ke0 s LEU 85 N 3.68 4.38 -0.16 -0.88 2.96 0.11 -1.05 118.68 127.72 2ke0 s LEU 85 Ca 0.34 0.78 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 2ke0 s LEU 85 Cb -0.11 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 44.11 2ke0 s LEU 85 CO 0.24 0.23 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.50 2ke0 s THR 86 N -0.45 1.47 -0.09 3.68 2.01 0.17 0.05 115.64 122.48 2ke0 s THR 86 Ca 0.21 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.53 2ke0 s THR 86 Cb -0.15 -1.48 -0.00 0.00 0.01 0.00 0.00 72.50 70.88 2ke0 s THR 86 CO 0.10 0.30 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.47 2ke0 s ILE 87 N 1.50 1.93 0.98 1.82 1.01 -0.54 -1.53 121.20 126.38 2ke0 s ILE 87 Ca 0.02 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 2ke0 s ILE 87 Cb -0.14 -1.67 0.18 0.00 0.01 0.00 0.00 42.46 40.84 2ke0 s ILE 87 CO -0.09 0.53 1.09 -2.16 0.00 0.00 0.00 174.94 174.31 2ke0 s PRO 88 N 0.30 0.55 0.28 2.79 0.04 -1.26 -1.18 135.00 136.52 2ke0 s PRO 88 Ca -0.16 0.57 0.06 0.00 0.04 0.00 0.00 61.00 61.52 2ke0 s PRO 88 Cb -0.17 -1.75 0.41 0.00 0.04 0.00 0.00 34.50 33.04 2ke0 s PRO 88 CO 0.07 -2.66 1.67 -1.00 0.04 0.00 0.00 177.00 175.12 2ke0 h PRO 89 N -1.85 0.22 -0.12 0.56 0.13 -1.92 -1.43 132.00 127.58 2ke0 h PRO 89 Ca -0.54 -0.11 -0.16 0.00 -0.87 0.00 0.00 66.00 64.32 2ke0 h PRO 89 Cb 1.32 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.46 2ke0 h PRO 89 CO 0.57 0.64 -0.55 0.37 -0.23 0.00 0.00 178.00 178.80 2ke0 h GLN 90 N 0.18 0.59 -0.68 0.86 5.75 -1.91 0.25 115.11 120.15 2ke0 h GLN 90 Ca 0.01 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2ke0 h GLN 90 Cb 0.89 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.53 2ke0 h GLN 90 CO 0.07 1.09 0.00 -0.11 -2.65 0.00 0.00 178.83 177.23 2ke0 n LEU 91 N -4.17 3.98 0.00 -2.39 7.94 -1.20 -4.51 117.00 116.65 2ke0 n LEU 91 Ca -0.08 -2.02 0.00 0.00 -1.11 0.00 0.00 56.01 52.81 2ke0 n LEU 91 Cb 0.62 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2ke0 n LEU 91 CO 0.48 0.53 0.00 0.61 -1.11 0.00 0.00 177.39 177.90 2ke0 n GLY 92 N 0.57 3.12 0.35 -3.96 0.00 -0.54 -4.76 105.19 99.97 2ke0 n GLY 92 Ca 0.19 -0.29 0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 0.14 0.00 1.61 -1.99 -1.78 -3.48 116.97 111.46 2ke0 h TYR 93 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2ke0 h TYR 93 Cb 0.00 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.69 2ke0 h TYR 93 CO 0.00 0.06 0.00 0.41 -0.00 0.00 0.00 178.16 178.63 2ke0 n GLY 94 N -1.59 -1.83 0.20 3.88 0.00 0.88 -4.21 105.19 102.52 2ke0 n GLY 94 Ca 0.08 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 1.16 0.12 4.61 0.00 -1.91 -3.29 119.26 119.94 2ke0 h ALA 95 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ke0 h ALA 95 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2ke0 h ALA 95 CO 0.00 0.44 -0.15 -0.09 0.00 0.00 0.00 179.25 179.45 2ke0 h ARG 96 N 0.00 -0.27 0.00 0.00 2.43 -1.95 -3.38 114.38 111.21 2ke0 h ARG 96 Ca -0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2ke0 h ARG 96 Cb 0.75 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2ke0 h ARG 96 CO 0.05 -0.18 0.00 0.41 -1.51 0.00 0.00 179.97 178.74 2ke0 n GLY 97 N -1.16 -0.17 0.00 2.80 0.00 -1.24 -4.66 105.19 100.76 2ke0 n GLY 97 Ca -0.03 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 0.29 0.00 -1.76 4.61 0.00 0.52 -4.96 120.51 119.22 2ke0 n ALA 98 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2ke0 n ALA 98 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 5.00 2.69 2.66 0.00 0.00 -1.26 -4.16 105.19 110.13 2ke0 n GLY 99 Ca 0.00 -1.26 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 2ke0 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ke0 n GLY 100 N 4.86 1.65 0.01 -0.02 0.00 -1.26 -4.75 105.19 105.68 2ke0 n GLY 100 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2ke0 n GLY 100 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ke0 n VAL 101 N -2.31 0.10 -3.24 1.61 0.31 -1.26 -4.87 118.33 108.66 2ke0 n VAL 101 Ca -0.17 -0.11 -0.23 0.00 -0.01 0.00 0.00 64.34 63.82 2ke0 n VAL 101 Cb 0.65 -0.15 -0.07 0.00 -0.91 0.00 0.00 33.84 33.36 2ke0 n VAL 101 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2ke0 n ILE 102 N -1.84 -0.91 -1.17 2.52 5.41 -1.26 -4.95 119.36 117.16 2ke0 n ILE 102 Ca -0.03 -3.23 -0.29 0.00 1.00 0.00 0.00 62.75 60.20 2ke0 n ILE 102 Cb 0.32 -1.31 0.17 0.00 -0.71 0.00 0.00 39.64 38.11 2ke0 n ILE 102 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2ke0 s PRO 103 N -0.15 0.62 0.80 0.38 0.04 -1.26 -0.35 135.00 135.08 2ke0 s PRO 103 Ca 0.33 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 2ke0 s PRO 103 Cb 0.08 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 32.94 2ke0 s PRO 103 CO -0.16 -2.62 1.09 -1.25 0.04 0.00 0.00 177.00 174.10 2ke0 s PRO 104 N -4.95 2.03 -1.71 0.56 0.04 -1.26 -3.54 135.00 126.16 2ke0 s PRO 104 Ca 0.65 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2ke0 s PRO 104 Cb -0.18 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2ke0 s PRO 104 CO 0.57 -1.78 0.00 0.09 0.04 0.00 0.00 177.00 175.92 2ke0 n ASN 105 N -3.61 -5.12 -3.93 6.66 3.02 -1.26 -4.97 115.26 106.04 2ke0 n ASN 105 Ca 0.09 0.24 -0.29 0.00 -0.03 0.00 0.00 54.58 54.59 2ke0 n ASN 105 Cb 0.53 -4.19 -0.16 0.00 -0.61 0.00 0.00 39.78 35.36 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 -2.75 1.60 0.42 5.41 0.00 -1.23 -4.97 121.76 120.24 2ke0 s ALA 106 Ca 0.00 -0.85 -0.25 0.00 0.00 0.00 0.00 51.96 50.86 2ke0 s ALA 106 Cb 0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 23.12 21.94 2ke0 s ALA 106 CO 0.00 -0.66 1.18 0.99 0.00 0.00 0.00 175.76 177.28 2ke0 s THR 107 N 1.58 3.08 -0.04 0.00 2.01 -1.26 -3.86 115.64 117.16 2ke0 s THR 107 Ca 0.02 0.89 0.07 0.00 0.31 0.00 0.00 61.69 62.98 2ke0 s THR 107 Cb -0.15 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 2ke0 s THR 107 CO -0.08 0.06 -0.25 -1.48 -0.69 0.00 0.00 174.62 172.18 2ke0 s LEU 108 N -2.63 2.05 -0.14 4.42 2.34 -0.32 -3.98 118.68 120.41 2ke0 s LEU 108 Ca 0.59 -0.47 -0.03 0.00 0.06 0.00 0.00 54.13 54.27 2ke0 s LEU 108 Cb -0.31 -1.32 -0.03 0.00 -0.56 0.00 0.00 46.19 43.98 2ke0 s LEU 108 CO 0.39 0.28 -0.04 -0.69 -1.06 0.00 0.00 176.35 175.22 2ke0 s VAL 109 N -0.38 3.90 -0.08 1.48 1.01 -0.58 -1.46 120.40 124.27 2ke0 s VAL 109 Ca 0.04 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.69 2ke0 s VAL 109 Cb -0.11 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.58 2ke0 s VAL 109 CO 0.01 0.51 -0.20 -0.36 0.00 0.00 0.00 175.10 175.06 2ke0 s PHE 110 N 0.18 2.13 -0.43 5.22 0.08 0.11 0.19 117.98 125.46 2ke0 s PHE 110 Ca -0.02 -0.81 -0.18 0.00 0.12 0.00 0.00 56.93 56.04 2ke0 s PHE 110 Cb -0.14 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.89 2ke0 s PHE 110 CO 0.03 -0.33 0.49 -2.00 -0.10 0.00 0.00 175.22 173.31 2ke0 s GLU 111 N 0.36 3.13 -0.30 0.44 2.12 0.04 0.04 118.70 124.51 2ke0 s GLU 111 Ca -0.15 -0.71 -0.14 0.00 0.36 0.00 0.00 54.97 54.33 2ke0 s GLU 111 Cb -0.16 -3.98 -0.03 0.00 0.26 0.00 0.00 34.13 30.22 2ke0 s GLU 111 CO 0.06 -0.91 0.31 0.08 -0.54 0.00 0.00 175.26 174.26 2ke0 s VAL 112 N 2.29 5.22 -0.15 3.70 1.01 -0.34 -1.10 120.40 131.02 2ke0 s VAL 112 Ca 0.14 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2ke0 s VAL 112 Cb -0.17 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2ke0 s VAL 112 CO 0.14 0.08 -0.13 -1.83 0.00 0.00 0.00 175.10 173.36 2ke0 s GLU 113 N 1.94 2.22 0.16 2.72 -1.05 -0.48 -0.67 118.70 123.54 2ke0 s GLU 113 Ca 0.11 -0.58 -0.31 0.00 -0.15 0.00 0.00 54.97 54.04 2ke0 s GLU 113 Cb -0.16 -2.12 -0.09 0.00 -0.44 0.00 0.00 34.13 31.32 2ke0 s GLU 113 CO 0.11 -0.27 1.40 -1.17 0.95 0.00 0.00 175.26 176.29 2ke0 s LEU 114 N 1.49 4.38 -0.24 1.83 1.98 0.37 -1.36 118.68 127.13 2ke0 s LEU 114 Ca 0.04 2.44 -0.13 0.00 -2.89 0.00 0.00 54.13 53.59 2ke0 s LEU 114 Cb -0.13 -3.60 -0.10 0.00 0.66 0.00 0.00 46.19 43.02 2ke0 s LEU 114 CO -0.10 -0.65 -0.33 0.18 -1.89 0.00 0.00 176.35 173.55 2ke0 n LEU 115 N 3.37 1.82 -3.66 -0.68 4.77 -0.16 -0.72 117.00 121.74 2ke0 n LEU 115 Ca 0.10 0.31 -0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2ke0 n LEU 115 Cb 0.41 -0.75 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 2ke0 n LEU 115 CO 0.59 0.42 0.95 -0.62 -1.33 0.00 0.00 177.39 177.40 2ke0 s ASP 116 N -7.12 -0.10 0.00 -1.43 2.15 -1.17 -4.25 116.67 104.74 2ke0 s ASP 116 Ca -0.35 -0.22 0.03 0.00 0.43 0.00 0.00 52.55 52.44 2ke0 s ASP 116 Cb 0.12 0.27 0.02 0.00 -0.30 0.00 0.00 42.92 43.04 2ke0 s ASP 116 CO 0.44 -0.50 0.59 1.33 -0.17 0.00 0.00 175.17 176.86