#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kt5 s GLN 2 N 0.00 3.03 -0.05 0.54 0.74 -1.26 -1.64 119.66 121.02 3kt5 s GLN 2 Ca 0.00 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 54.92 3kt5 s GLN 2 Cb 0.00 -2.84 0.02 0.00 1.10 0.00 0.00 33.01 31.30 3kt5 s GLN 2 CO 0.00 0.65 -0.03 0.54 -0.55 0.00 0.00 175.29 175.91 3kt5 s VAL 3 N -1.16 0.45 0.86 1.34 0.11 0.85 -4.99 120.40 117.87 3kt5 s VAL 3 Ca 0.22 -0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.13 3kt5 s VAL 3 Cb -0.12 -0.53 0.15 0.00 -1.53 0.00 0.00 36.38 34.36 3kt5 s VAL 3 CO 0.12 0.23 1.20 0.42 -3.33 0.00 0.00 175.10 173.74 3kt5 s THR 4 N 1.27 2.06 -0.16 5.04 -4.23 -1.26 -0.68 115.64 117.68 3kt5 s THR 4 Ca -0.06 -0.16 0.16 0.00 -1.18 0.00 0.00 61.69 60.46 3kt5 s THR 4 Cb -0.14 -2.90 0.35 0.00 1.34 0.00 0.00 72.50 71.15 3kt5 s THR 4 CO -0.02 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.44 3kt5 n LEU 5 N -3.42 2.63 0.25 4.79 4.77 -1.26 -4.57 117.00 120.19 3kt5 n LEU 5 Ca 0.13 -3.35 0.12 0.00 -0.03 0.00 0.00 56.01 52.89 3kt5 n LEU 5 Cb 0.60 -0.47 0.63 0.00 -2.33 0.00 0.00 43.42 41.84 3kt5 n LEU 5 CO 0.47 0.93 0.91 -0.50 -1.33 0.00 0.00 177.39 177.87 3kt5 h TRP 6 N 0.45 0.00 -2.74 -1.77 4.06 -1.94 -3.44 115.95 110.57 3kt5 h TRP 6 Ca 0.01 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.48 3kt5 h TRP 6 Cb 1.06 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.08 3kt5 h TRP 6 CO 0.29 0.15 -0.69 -0.65 -3.56 0.00 0.00 178.44 173.98 3kt5 s GLN 7 N -3.89 1.49 0.19 0.49 -1.52 -1.26 -5.08 119.66 110.08 3kt5 s GLN 7 Ca -0.01 -1.73 -0.33 0.00 -1.95 0.00 0.00 55.36 51.34 3kt5 s GLN 7 Cb 0.11 -1.12 -0.13 0.00 -0.22 0.00 0.00 33.01 31.65 3kt5 s GLN 7 CO 0.59 0.07 1.62 0.54 -0.25 0.00 0.00 175.29 177.86 3kt5 n ARG 8 N -0.53 2.39 -2.46 2.91 1.74 -1.26 -4.88 116.66 114.57 3kt5 n ARG 8 Ca -0.06 0.86 -0.39 0.00 -0.77 0.00 0.00 57.85 57.49 3kt5 n ARG 8 Cb 0.63 -2.65 -0.02 0.00 -1.02 0.00 0.00 32.46 29.39 3kt5 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3kt5 s PRO 9 N 0.80 3.52 0.02 5.56 0.04 -1.26 -4.97 135.00 138.71 3kt5 s PRO 9 Ca 0.76 -1.37 -0.05 0.00 0.04 0.00 0.00 61.00 60.38 3kt5 s PRO 9 Cb -0.61 -5.38 -0.05 0.00 0.04 0.00 0.00 34.50 28.51 3kt5 s PRO 9 CO 0.38 -2.54 0.25 -0.51 0.04 0.00 0.00 177.00 174.61 3kt5 s LEU 10 N 5.87 4.36 0.11 -3.56 1.43 -1.26 -0.98 118.68 124.64 3kt5 s LEU 10 Ca 0.54 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 3kt5 s LEU 10 Cb 0.01 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 3kt5 s LEU 10 CO 0.00 0.23 -0.08 0.68 0.23 0.00 0.00 176.35 177.41 3kt5 s VAL 11 N -1.36 0.88 -0.12 -1.59 -7.23 0.24 -4.95 120.40 106.27 3kt5 s VAL 11 Ca 0.29 -1.89 -0.15 0.00 -1.81 0.00 0.00 61.98 58.42 3kt5 s VAL 11 Cb -0.13 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 3kt5 s VAL 11 CO 0.19 -0.76 0.37 -0.89 -0.31 0.00 0.00 175.10 173.69 3kt5 s THR 12 N -3.25 5.23 0.15 5.32 2.01 -1.26 -0.78 115.64 123.06 3kt5 s THR 12 Ca 0.11 0.71 0.07 0.00 0.31 0.00 0.00 61.69 62.90 3kt5 s THR 12 Cb 0.02 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 3kt5 s THR 12 CO -0.02 0.41 -0.16 0.27 -0.69 0.00 0.00 174.62 174.43 3kt5 s ILE 13 N 0.17 1.63 -0.14 1.82 -4.36 0.63 -2.07 121.20 118.87 3kt5 s ILE 13 Ca 0.21 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 3kt5 s ILE 13 Cb -0.14 -1.76 0.02 0.00 1.25 0.00 0.00 42.46 41.83 3kt5 s ILE 13 CO 0.08 -0.39 -0.18 -0.75 0.24 0.00 0.00 174.94 173.94 3kt5 s LYS 14 N -2.86 2.61 -0.07 0.37 2.20 -0.20 -1.14 119.74 120.64 3kt5 s LYS 14 Ca 0.14 -0.69 -0.06 0.00 -0.36 0.00 0.00 55.97 55.00 3kt5 s LYS 14 Cb -0.05 -2.24 0.02 0.00 -1.51 0.00 0.00 37.83 34.06 3kt5 s LYS 14 CO 0.05 -0.13 0.18 -1.50 -0.36 0.00 0.00 175.35 173.59 3kt5 s ILE 15 N 1.15 -0.01 -1.58 5.43 2.07 -0.58 -1.55 121.20 126.13 3kt5 s ILE 15 Ca -0.01 0.04 -0.03 0.00 -1.41 0.00 0.00 60.65 59.24 3kt5 s ILE 15 Cb -0.14 -0.27 0.01 0.00 0.13 0.00 0.00 42.46 42.19 3kt5 s ILE 15 CO -0.07 0.02 0.36 0.61 -1.91 0.00 0.00 174.94 173.94 3kt5 n GLY 16 N 3.27 -0.51 2.73 1.50 0.00 -1.26 -0.94 105.19 109.98 3kt5 n GLY 16 Ca -0.16 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3kt5 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt5 n GLY 17 N -1.28 0.43 3.52 -0.02 0.00 -1.26 -5.00 105.19 101.58 3kt5 n GLY 17 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 3kt5 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kt5 s GLN 18 N -0.60 1.89 -0.14 1.61 -0.21 -0.11 -5.12 119.66 116.98 3kt5 s GLN 18 Ca 0.00 -1.21 -0.07 0.00 0.02 0.00 0.00 55.36 54.11 3kt5 s GLN 18 Cb 0.00 -2.14 -0.04 0.00 1.00 0.00 0.00 33.01 31.83 3kt5 s GLN 18 CO 0.00 0.47 0.09 -0.51 -2.12 0.00 0.00 175.29 173.22 3kt5 s LEU 19 N -2.39 4.07 0.14 2.90 1.43 -1.26 -1.52 118.68 122.05 3kt5 s LEU 19 Ca 0.21 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.51 3kt5 s LEU 19 Cb -0.10 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 3kt5 s LEU 19 CO 0.12 0.31 0.21 -0.54 0.23 0.00 0.00 176.35 176.69 3kt5 s LYS 20 N -0.45 1.05 -0.03 1.70 1.02 -0.30 -5.00 119.74 117.73 3kt5 s LYS 20 Ca 0.11 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 54.90 3kt5 s LYS 20 Cb -0.12 0.34 -0.03 0.00 -0.52 0.00 0.00 37.83 37.50 3kt5 s LYS 20 CO 0.02 -0.36 -0.01 -1.21 -0.92 0.00 0.00 175.35 172.87 3kt5 s GLU 21 N -3.97 2.82 0.06 1.68 2.02 -1.26 -0.27 118.70 119.78 3kt5 s GLU 21 Ca 0.17 -0.56 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 3kt5 s GLU 21 Cb 0.04 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.58 3kt5 s GLU 21 CO -0.01 0.65 0.10 0.00 0.02 0.00 0.00 175.26 176.01 3kt5 s ALA 22 N -1.00 0.03 -0.21 5.21 0.00 0.04 -4.61 121.76 121.21 3kt5 s ALA 22 Ca 0.17 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 3kt5 s ALA 22 Cb -0.11 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 3kt5 s ALA 22 CO 0.07 -0.40 0.24 -1.17 0.00 0.00 0.00 175.76 174.50 3kt5 s LEU 23 N -2.57 4.16 -0.26 0.00 2.96 0.10 -0.59 118.68 122.47 3kt5 s LEU 23 Ca 0.01 0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.93 3kt5 s LEU 23 Cb 0.03 -2.25 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 3kt5 s LEU 23 CO -0.08 0.05 1.52 -0.76 -1.32 0.00 0.00 176.35 175.76 3kt5 s LEU 24 N 0.91 3.85 -0.37 -0.68 1.43 -0.16 -0.31 118.68 123.34 3kt5 s LEU 24 Ca 0.12 1.42 0.02 0.00 -1.03 0.00 0.00 54.13 54.66 3kt5 s LEU 24 Cb -0.13 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.66 3kt5 s LEU 24 CO 0.04 -1.24 0.12 -0.62 0.23 0.00 0.00 176.35 174.88 3kt5 s ASP 25 N 3.88 4.33 0.39 2.29 -1.08 -0.35 -4.12 116.67 122.01 3kt5 s ASP 25 Ca 0.67 -2.22 0.28 0.00 -0.52 0.00 0.00 52.55 50.76 3kt5 s ASP 25 Cb -0.21 -1.33 1.27 0.00 -1.46 0.00 0.00 42.92 41.18 3kt5 s ASP 25 CO 0.28 -0.35 1.85 0.71 0.52 0.00 0.00 175.17 178.17 3kt5 h THR 26 N 6.20 0.00 -0.04 1.71 1.35 -1.84 -2.36 112.91 117.94 3kt5 h THR 26 Ca -0.07 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3kt5 h THR 26 Cb 0.98 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3kt5 h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 3kt5 n GLY 27 N -0.31 -0.26 3.47 5.82 0.00 -1.26 -4.68 105.19 107.97 3kt5 n GLY 27 Ca 0.01 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 3kt5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kt5 s ALA 28 N -1.96 2.90 0.07 4.61 0.00 -0.89 -5.00 121.76 121.49 3kt5 s ALA 28 Ca 0.38 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 51.34 3kt5 s ALA 28 Cb 0.20 -1.45 -0.11 0.00 0.00 0.00 0.00 23.12 21.76 3kt5 s ALA 28 CO 0.32 0.24 1.39 -0.44 0.00 0.00 0.00 175.76 177.26 3kt5 h ASP 29 N 6.65 0.61 -2.65 0.00 3.32 -1.88 0.15 116.42 122.62 3kt5 h ASP 29 Ca -0.30 -0.48 -0.53 0.00 0.02 0.00 0.00 57.03 55.74 3kt5 h ASP 29 Cb 1.20 -0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.44 3kt5 h ASP 29 CO 0.61 0.96 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.62 3kt5 s ASP 30 N -6.39 3.02 0.02 6.45 1.01 -1.26 -1.73 116.67 117.79 3kt5 s ASP 30 Ca -0.13 -1.23 -0.27 0.00 0.71 0.00 0.00 52.55 51.63 3kt5 s ASP 30 Cb 0.07 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.74 3kt5 s ASP 30 CO 0.80 -0.36 0.85 -0.89 0.21 0.00 0.00 175.17 175.79 3kt5 s THR 31 N -2.94 4.79 -0.09 -1.27 2.01 -1.26 -3.48 115.64 113.39 3kt5 s THR 31 Ca 0.32 1.80 -0.01 0.00 0.31 0.00 0.00 61.69 64.11 3kt5 s THR 31 Cb 0.05 -4.20 0.03 0.00 0.01 0.00 0.00 72.50 68.38 3kt5 s THR 31 CO 0.14 0.27 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.62 3kt5 s VAL 32 N 0.43 0.67 0.08 3.82 1.01 -0.34 -0.79 120.40 125.28 3kt5 s VAL 32 Ca 0.44 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.41 3kt5 s VAL 32 Cb -0.21 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3kt5 s VAL 32 CO 0.25 0.29 -0.14 -0.76 0.00 0.00 0.00 175.10 174.74 3kt5 s LEU 33 N 1.85 2.83 0.97 3.92 1.43 0.68 -0.65 118.68 129.71 3kt5 s LEU 33 Ca 0.05 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 3kt5 s LEU 33 Cb -0.13 -1.66 0.14 0.00 0.03 0.00 0.00 46.19 44.58 3kt5 s LEU 33 CO -0.07 0.21 0.94 -0.62 0.23 0.00 0.00 176.35 177.04 3kt5 n GLU 34 N 1.03 -0.74 -1.53 1.70 1.02 -1.26 -1.69 120.64 119.17 3kt5 n GLU 34 Ca -0.15 -0.16 -0.55 0.00 -0.02 0.00 0.00 57.16 56.28 3kt5 n GLU 34 Cb 0.52 -2.22 -0.07 0.00 -0.02 0.00 0.00 31.44 29.66 3kt5 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3kt5 n GLU 35 N -3.76 0.49 -3.65 3.49 4.07 -1.24 -4.56 120.64 115.49 3kt5 n GLU 35 Ca 0.09 0.18 -0.09 0.00 -0.06 0.00 0.00 57.16 57.28 3kt5 n GLU 35 Cb 0.53 -1.70 -0.02 0.00 -0.06 0.00 0.00 31.44 30.19 3kt5 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kt5 s MET 36 N 0.09 1.43 -0.41 5.31 0.23 -1.26 -5.04 119.30 119.66 3kt5 s MET 36 Ca 0.86 -0.69 -0.25 0.00 -1.03 0.00 0.00 55.69 54.58 3kt5 s MET 36 Cb -1.11 0.56 0.02 0.00 -1.53 0.00 0.00 34.83 32.76 3kt5 s MET 36 CO 0.53 -0.65 0.90 0.45 -2.03 0.00 0.00 175.02 174.23 3kt5 s SER 37 N -2.82 6.58 0.06 -1.18 0.15 -1.26 -5.04 113.70 110.20 3kt5 s SER 37 Ca 0.07 0.34 0.09 0.00 0.70 0.00 0.00 55.95 57.16 3kt5 s SER 37 Cb -0.03 -2.45 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 3kt5 s SER 37 CO -0.03 -0.92 -0.25 -0.76 1.20 0.00 0.00 173.24 172.48 3kt5 s LEU 38 N 3.54 2.26 0.13 3.45 1.43 -1.26 -4.89 118.68 123.34 3kt5 s LEU 38 Ca 0.37 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 3kt5 s LEU 38 Cb -0.11 -1.31 -0.06 0.00 0.03 0.00 0.00 46.19 44.74 3kt5 s LEU 38 CO 0.22 0.24 1.00 -2.84 0.23 0.00 0.00 176.35 175.20 3kt5 s PRO 39 N -1.43 4.67 0.00 1.29 0.02 -1.26 -4.97 135.00 133.32 3kt5 s PRO 39 Ca 0.13 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.67 3kt5 s PRO 39 Cb -0.10 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3kt5 s PRO 39 CO 0.03 0.18 0.00 0.41 -0.33 0.00 0.00 177.00 177.29 3kt5 n GLY 40 N 2.21 -1.44 3.87 0.52 0.00 -1.26 -5.01 105.19 104.08 3kt5 n GLY 40 Ca 0.02 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 3kt5 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kt5 s ARG 41 N 0.00 3.48 -0.02 1.61 3.52 -1.26 -5.08 118.95 121.19 3kt5 s ARG 41 Ca 0.00 0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 55.98 3kt5 s ARG 41 Cb 0.00 -2.09 0.07 0.00 -1.56 0.00 0.00 34.95 31.37 3kt5 s ARG 41 CO 0.00 -0.62 0.64 1.67 -0.81 0.00 0.00 175.30 176.18 3kt5 s TRP 42 N -3.18 -0.61 -0.05 5.12 1.48 -1.26 -4.68 118.94 115.75 3kt5 s TRP 42 Ca 0.55 0.96 0.01 0.00 -1.06 0.00 0.00 56.10 56.56 3kt5 s TRP 42 Cb -0.11 0.41 -0.03 0.00 -1.16 0.00 0.00 33.47 32.58 3kt5 s TRP 42 CO 0.53 -0.63 -0.04 0.15 -4.06 0.00 0.00 176.95 172.90 3kt5 s LYS 43 N -1.54 2.79 0.20 3.25 1.02 -0.14 -4.83 119.74 120.48 3kt5 s LYS 43 Ca -0.10 -0.54 -0.31 0.00 0.02 0.00 0.00 55.97 55.04 3kt5 s LYS 43 Cb -0.00 -2.65 -0.11 0.00 -0.52 0.00 0.00 37.83 34.56 3kt5 s LYS 43 CO 0.07 0.66 1.57 -2.14 -0.92 0.00 0.00 175.35 174.59 3kt5 s PRO 44 N -1.02 4.20 0.02 -1.68 0.02 -1.26 0.28 135.00 135.56 3kt5 s PRO 44 Ca 0.14 2.42 -0.02 0.00 0.02 0.00 0.00 61.00 63.56 3kt5 s PRO 44 Cb -0.11 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.27 3kt5 s PRO 44 CO 0.04 -0.60 0.01 0.21 -0.33 0.00 0.00 177.00 176.33 3kt5 s LYS 45 N 0.66 0.41 -0.12 5.54 2.20 0.70 -4.88 119.74 124.25 3kt5 s LYS 45 Ca 0.68 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 55.62 3kt5 s LYS 45 Cb -0.45 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.01 3kt5 s LYS 45 CO 0.36 -0.08 -0.16 1.41 -0.36 0.00 0.00 175.35 176.52 3kt5 s MET 46 N -1.92 3.30 0.10 4.03 -2.45 -1.26 0.44 119.30 121.53 3kt5 s MET 46 Ca -0.11 -0.73 0.08 0.00 -1.25 0.00 0.00 55.69 53.67 3kt5 s MET 46 Cb -0.06 -2.55 -0.03 0.00 1.25 0.00 0.00 34.83 33.44 3kt5 s MET 46 CO -0.02 0.21 -0.20 0.96 1.05 0.00 0.00 175.02 177.02 3kt5 s ILE 47 N 0.34 1.64 0.27 10.11 -4.36 -0.41 -4.96 121.20 123.82 3kt5 s ILE 47 Ca -0.13 -1.50 0.07 0.00 -0.26 0.00 0.00 60.65 58.83 3kt5 s ILE 47 Cb -0.16 -1.49 -0.04 0.00 1.25 0.00 0.00 42.46 42.02 3kt5 s ILE 47 CO 0.06 -0.07 0.19 -0.83 0.24 0.00 0.00 174.94 174.53 3kt5 s GLY 48 N -1.86 1.51 0.00 6.27 0.00 -1.26 -0.77 107.32 111.21 3kt5 s GLY 48 Ca 0.05 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.28 3kt5 s GLY 48 CO 0.04 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.23 3kt5 n GLY 49 N -1.18 2.05 3.73 0.20 0.00 0.81 -4.95 105.19 105.86 3kt5 n GLY 49 Ca -0.07 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3kt5 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kt5 s ILE 50 N -2.76 2.61 0.00 -0.61 1.01 -1.26 -2.33 121.20 117.85 3kt5 s ILE 50 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.13 3kt5 s ILE 50 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.17 3kt5 s ILE 50 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.61 3kt5 n GLY 51 N 2.85 2.63 0.00 6.18 0.00 -1.26 -1.63 105.19 113.96 3kt5 n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3kt5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt5 n GLY 52 N -1.98 0.20 3.47 -0.02 0.00 -0.99 -4.06 105.19 101.81 3kt5 n GLY 52 Ca 0.00 -1.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 3kt5 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kt5 s PHE 53 N -1.04 2.22 0.07 1.61 -0.71 -1.26 -0.13 117.98 118.74 3kt5 s PHE 53 Ca 0.00 -0.42 0.02 0.00 -1.04 0.00 0.00 56.93 55.49 3kt5 s PHE 53 Cb 0.00 -1.06 -0.03 0.00 -1.21 0.00 0.00 43.02 40.72 3kt5 s PHE 53 CO 0.00 0.62 -0.07 0.96 -1.34 0.00 0.00 175.22 175.39 3kt5 s ILE 54 N -2.62 0.61 -0.13 -4.49 -4.36 0.05 -4.75 121.20 105.52 3kt5 s ILE 54 Ca 0.30 -1.54 -0.18 0.00 -0.26 0.00 0.00 60.65 58.97 3kt5 s ILE 54 Cb -0.02 -1.18 -0.04 0.00 1.25 0.00 0.00 42.46 42.47 3kt5 s ILE 54 CO 0.14 -0.65 0.47 -0.75 0.24 0.00 0.00 174.94 174.40 3kt5 s LYS 55 N -2.79 4.33 0.21 0.37 2.36 -1.26 -1.29 119.74 121.68 3kt5 s LYS 55 Ca 0.02 0.44 0.05 0.00 -2.55 0.00 0.00 55.97 53.93 3kt5 s LYS 55 Cb -0.02 -3.45 -0.05 0.00 -1.05 0.00 0.00 37.83 33.27 3kt5 s LYS 55 CO -0.02 0.14 -0.07 0.14 1.55 0.00 0.00 175.35 177.08 3kt5 s VAL 56 N 0.69 1.34 -0.16 4.02 -7.23 0.17 -4.40 120.40 114.84 3kt5 s VAL 56 Ca 0.26 -2.10 -0.13 0.00 -1.81 0.00 0.00 61.98 58.20 3kt5 s VAL 56 Cb -0.15 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 3kt5 s VAL 56 CO 0.10 -0.48 0.26 -0.13 -0.31 0.00 0.00 175.10 174.54 3kt5 s ARG 57 N -3.76 4.21 -0.30 4.82 0.52 0.64 -0.21 118.95 124.87 3kt5 s ARG 57 Ca 0.24 0.03 -0.13 0.00 -0.52 0.00 0.00 55.73 55.36 3kt5 s ARG 57 Cb 0.03 -3.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 3kt5 s ARG 57 CO 0.07 0.28 0.26 -1.14 0.02 0.00 0.00 175.30 174.79 3kt5 s GLN 58 N 0.37 3.80 -0.12 3.54 0.74 0.14 -1.02 119.66 127.12 3kt5 s GLN 58 Ca 0.15 -0.33 -0.02 0.00 0.05 0.00 0.00 55.36 55.21 3kt5 s GLN 58 Cb -0.13 -3.71 -0.03 0.00 1.10 0.00 0.00 33.01 30.24 3kt5 s GLN 58 CO 0.03 -0.31 -0.04 0.71 -0.55 0.00 0.00 175.29 175.13 3kt5 s TYR 59 N 1.85 3.02 0.31 1.67 1.51 -0.41 -0.97 117.35 124.34 3kt5 s TYR 59 Ca 0.09 -0.12 0.07 0.00 -1.01 0.00 0.00 57.07 56.11 3kt5 s TYR 59 Cb -0.16 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 3kt5 s TYR 59 CO 0.11 0.16 0.24 -0.51 -1.11 0.00 0.00 175.55 174.44 3kt5 s ASP 60 N -0.21 5.26 -1.58 2.29 1.01 -1.26 -0.94 116.67 121.24 3kt5 s ASP 60 Ca 0.04 -0.47 -0.04 0.00 0.71 0.00 0.00 52.55 52.79 3kt5 s ASP 60 Cb -0.13 -1.05 0.01 0.00 1.01 0.00 0.00 42.92 42.76 3kt5 s ASP 60 CO 0.02 -0.26 0.47 0.00 0.21 0.00 0.00 175.17 175.62 3kt5 n GLN 61 N -1.29 -4.15 -3.15 8.23 6.02 -0.95 -4.92 117.38 117.18 3kt5 n GLN 61 Ca -0.04 0.90 -0.39 0.00 -0.01 0.00 0.00 57.00 57.46 3kt5 n GLN 61 Cb 0.59 -5.71 -0.05 0.00 1.02 0.00 0.00 30.24 26.09 3kt5 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kt5 s ILE 62 N -3.13 5.07 -0.03 5.09 -1.09 0.09 -4.72 121.20 122.48 3kt5 s ILE 62 Ca 0.25 1.21 -0.30 0.00 -2.23 0.00 0.00 60.65 59.58 3kt5 s ILE 62 Cb -0.11 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 3kt5 s ILE 62 CO 0.30 0.21 0.98 -0.22 -1.23 0.00 0.00 174.94 174.98 3kt5 s LEU 63 N 1.22 4.34 -0.02 2.97 2.96 -1.26 -1.97 118.68 126.91 3kt5 s LEU 63 Ca 0.31 1.61 0.03 0.00 -0.22 0.00 0.00 54.13 55.86 3kt5 s LEU 63 Cb -0.16 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 3kt5 s LEU 63 CO 0.13 -0.30 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.11 3kt5 s ILE 64 N 1.26 0.95 -0.31 6.68 1.01 0.33 -4.41 121.20 126.72 3kt5 s ILE 64 Ca 0.51 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.64 3kt5 s ILE 64 Cb -0.20 -0.82 0.03 0.00 0.01 0.00 0.00 42.46 41.48 3kt5 s ILE 64 CO 0.25 0.28 0.05 -1.61 0.00 0.00 0.00 174.94 173.92 3kt5 s GLU 65 N 0.03 2.74 -0.31 2.79 2.02 -0.60 -0.28 118.70 125.10 3kt5 s GLU 65 Ca -0.01 -1.08 -0.04 0.00 0.02 0.00 0.00 54.97 53.86 3kt5 s GLU 65 Cb -0.08 -3.31 0.04 0.00 0.10 0.00 0.00 34.13 30.88 3kt5 s GLU 65 CO 0.00 -0.56 0.03 0.42 0.02 0.00 0.00 175.26 175.18 3kt5 s ILE 66 N 1.39 3.32 0.00 -1.63 1.01 0.84 -1.04 121.20 125.09 3kt5 s ILE 66 Ca -0.01 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.44 3kt5 s ILE 66 Cb -0.18 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3kt5 s ILE 66 CO 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 174.94 174.87 3kt5 n GLY 68 N 0.00 2.87 3.33 0.00 0.00 -1.26 -4.89 105.19 105.24 3kt5 n GLY 68 Ca 0.00 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 3kt5 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kt5 s HIS 69 N -2.38 2.56 0.02 1.61 4.02 -1.06 -5.12 115.29 114.93 3kt5 s HIS 69 Ca 0.42 -0.57 -0.07 0.00 1.02 0.00 0.00 55.06 55.86 3kt5 s HIS 69 Cb 0.33 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.58 30.20 3kt5 s HIS 69 CO 0.11 -0.12 0.29 0.15 1.02 0.00 0.00 174.74 176.20 3kt5 s LYS 70 N -0.22 3.62 0.00 1.40 1.02 -1.26 -0.11 119.74 124.19 3kt5 s LYS 70 Ca -0.01 -0.02 -0.10 0.00 0.02 0.00 0.00 55.97 55.86 3kt5 s LYS 70 Cb -0.13 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.12 3kt5 s LYS 70 CO 0.03 0.63 0.21 0.00 -0.92 0.00 0.00 175.35 175.31 3kt5 s ALA 71 N -1.31 -0.51 -0.06 5.17 0.00 0.62 -4.88 121.76 120.79 3kt5 s ALA 71 Ca 0.28 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.30 3kt5 s ALA 71 Cb -0.13 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3kt5 s ALA 71 CO 0.16 -0.25 -0.18 0.42 0.00 0.00 0.00 175.76 175.92 3kt5 s ILE 72 N -1.52 1.52 -0.06 0.00 1.01 -1.26 -0.51 121.20 120.37 3kt5 s ILE 72 Ca -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3kt5 s ILE 72 Cb -0.06 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.09 3kt5 s ILE 72 CO 0.02 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3kt5 n GLY 73 N 3.39 -0.64 3.74 6.18 0.00 -0.83 -4.88 105.19 112.16 3kt5 n GLY 73 Ca -0.20 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 3kt5 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kt5 s THR 74 N -3.32 4.86 -0.10 2.61 2.01 -1.26 -0.73 115.64 119.70 3kt5 s THR 74 Ca 0.00 1.48 0.02 0.00 0.31 0.00 0.00 61.69 63.50 3kt5 s THR 74 Cb 0.00 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.48 3kt5 s THR 74 CO 0.00 0.35 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.44 3kt5 s VAL 75 N 0.13 1.43 -0.12 3.82 1.01 -0.12 -4.34 120.40 122.21 3kt5 s VAL 75 Ca 0.36 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3kt5 s VAL 75 Cb -0.19 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3kt5 s VAL 75 CO 0.20 0.43 0.17 -0.76 0.00 0.00 0.00 175.10 175.14 3kt5 s LEU 76 N 0.92 4.37 -0.07 3.92 1.43 0.03 -1.28 118.68 127.99 3kt5 s LEU 76 Ca -0.08 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 3kt5 s LEU 76 Cb -0.15 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3kt5 s LEU 76 CO -0.00 0.37 -0.18 -0.69 0.23 0.00 0.00 176.35 176.07 3kt5 s VAL 77 N -0.83 1.60 -2.34 -1.59 1.01 -0.19 -0.23 120.40 117.83 3kt5 s VAL 77 Ca 0.15 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3kt5 s VAL 77 Cb -0.12 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.86 3kt5 s VAL 77 CO 0.04 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.21 3kt5 n GLY 78 N 3.50 -1.07 1.94 4.51 0.00 -0.68 -0.26 105.19 113.13 3kt5 n GLY 78 Ca -0.20 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 44.84 3kt5 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kt5 n PRO 79 N 0.00 0.74 -2.77 1.61 -0.04 -1.26 -3.60 135.00 129.67 3kt5 n PRO 79 Ca 0.00 -0.21 -0.39 0.00 -0.04 0.00 0.00 63.50 62.86 3kt5 n PRO 79 Cb 0.00 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 3kt5 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kt5 s THR 80 N 1.35 4.14 -0.17 0.52 -1.32 -1.26 -4.91 115.64 113.98 3kt5 s THR 80 Ca 0.14 1.97 0.29 0.00 -1.21 0.00 0.00 61.69 62.89 3kt5 s THR 80 Cb 0.07 -4.20 0.34 0.00 -1.51 0.00 0.00 72.50 67.21 3kt5 s THR 80 CO 0.00 0.36 1.85 1.55 -2.21 0.00 0.00 174.62 176.17 3kt5 h PRO 81 N 3.77 0.00 -3.18 7.08 0.13 -1.85 -3.42 132.00 134.53 3kt5 h PRO 81 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 3kt5 h PRO 81 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 3kt5 h PRO 81 CO 0.67 0.00 -0.41 0.14 -0.23 0.00 0.00 178.00 178.17 3kt5 s VAL 82 N -3.48 0.02 0.10 1.56 -7.23 -1.26 -5.07 120.40 105.05 3kt5 s VAL 82 Ca 0.03 -0.20 -0.31 0.00 -1.81 0.00 0.00 61.98 59.69 3kt5 s VAL 82 Cb 0.09 -0.41 -0.08 0.00 0.56 0.00 0.00 36.38 36.53 3kt5 s VAL 82 CO 0.53 -0.11 1.51 0.20 -0.31 0.00 0.00 175.10 176.92 3kt5 s ASN 83 N -0.37 6.70 -0.01 4.85 0.01 -1.26 -4.72 114.94 120.13 3kt5 s ASN 83 Ca -0.05 2.43 0.05 0.00 -0.71 0.00 0.00 52.86 54.58 3kt5 s ASN 83 Cb -0.03 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 3kt5 s ASN 83 CO 0.01 -0.77 -0.15 0.27 -1.51 0.00 0.00 177.10 174.95 3kt5 s ILE 84 N 1.65 1.19 -0.33 0.60 -4.36 0.17 -0.72 121.20 119.40 3kt5 s ILE 84 Ca 0.68 -0.67 -0.13 0.00 -0.26 0.00 0.00 60.65 60.27 3kt5 s ILE 84 Cb -0.39 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.30 3kt5 s ILE 84 CO 0.30 0.31 0.24 -0.63 0.24 0.00 0.00 174.94 175.40 3kt5 s ILE 85 N -0.39 5.29 0.59 8.37 -1.09 0.57 -1.20 121.20 133.34 3kt5 s ILE 85 Ca 0.06 -0.16 -0.01 0.00 -2.23 0.00 0.00 60.65 58.31 3kt5 s ILE 85 Cb -0.06 -3.69 0.12 0.00 -1.58 0.00 0.00 42.46 37.25 3kt5 s ILE 85 CO -0.00 0.02 0.81 0.61 -1.23 0.00 0.00 174.94 175.15 3kt5 n GLY 86 N 5.10 0.59 0.31 6.18 0.00 -1.23 -1.22 105.19 114.93 3kt5 n GLY 86 Ca -0.13 -2.00 0.02 0.00 0.00 0.00 0.00 46.02 43.91 3kt5 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kt5 h ARG 87 N 0.00 0.69 0.00 1.61 3.08 -0.31 -1.15 114.38 118.30 3kt5 h ARG 87 Ca -0.27 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.71 3kt5 h ARG 87 Cb 0.98 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 3kt5 h ARG 87 CO 0.28 0.51 -0.01 0.66 -1.07 0.00 0.00 179.97 180.34 3kt5 h SER 88 N 0.70 0.00 0.00 7.04 4.64 -1.60 -0.77 113.55 123.56 3kt5 h SER 88 Ca 0.18 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.15 3kt5 h SER 88 Cb 0.02 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.04 3kt5 h SER 88 CO -0.03 0.01 -2.31 -0.11 -0.87 0.00 0.00 176.83 173.52 3kt5 n LEU 89 N -3.16 0.33 -0.25 5.97 7.94 -0.84 -4.35 117.00 122.63 3kt5 n LEU 89 Ca -0.02 -0.01 0.08 0.00 -1.11 0.00 0.00 56.01 54.95 3kt5 n LEU 89 Cb 0.15 0.32 0.33 0.00 0.53 0.00 0.00 43.42 44.76 3kt5 n LEU 89 CO 0.23 0.52 1.23 -0.07 -1.11 0.00 0.00 177.39 178.19 3kt5 h LEU 90 N 0.00 0.73 -1.12 -1.96 3.38 -0.72 -0.34 115.31 115.28 3kt5 h LEU 90 Ca -0.52 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 3kt5 h LEU 90 Cb 2.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 3kt5 h LEU 90 CO 0.02 0.43 -0.42 0.71 0.09 0.00 0.00 178.44 179.26 3kt5 h THR 91 N 0.80 1.31 0.00 0.22 1.35 -1.37 -1.19 112.91 114.02 3kt5 h THR 91 Ca 0.39 -1.47 -0.04 0.00 -0.55 0.00 0.00 66.41 64.74 3kt5 h THR 91 Cb 0.44 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 3kt5 h THR 91 CO -0.16 0.42 -0.20 1.56 -0.25 0.00 0.00 175.52 176.89 3kt5 h GLN 92 N 0.03 0.00 -0.73 4.72 4.20 -1.26 -2.79 115.11 119.28 3kt5 h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kt5 h GLN 92 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 3kt5 h GLN 92 CO 0.06 0.20 0.00 0.44 -0.67 0.00 0.00 178.83 178.85 3kt5 n ILE 93 N -3.26 0.98 -1.97 2.54 -5.35 -1.05 -4.94 119.36 106.32 3kt5 n ILE 93 Ca 0.01 -0.99 -0.09 0.00 -0.27 0.00 0.00 62.75 61.41 3kt5 n ILE 93 Cb 0.48 0.52 -0.01 0.00 -1.74 0.00 0.00 39.64 38.88 3kt5 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kt5 n GLY 94 N 1.66 0.24 3.76 3.28 0.00 -1.05 -4.83 105.19 108.24 3kt5 n GLY 94 Ca 0.25 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 3kt5 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kt5 s ALA 95 N -2.44 3.41 0.09 4.61 0.00 -0.47 -4.59 121.76 122.37 3kt5 s ALA 95 Ca 0.00 0.90 0.05 0.00 0.00 0.00 0.00 51.96 52.90 3kt5 s ALA 95 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3kt5 s ALA 95 CO 0.00 -0.19 -0.12 0.95 0.00 0.00 0.00 175.76 176.40 3kt5 s THR 96 N -0.99 1.07 -0.20 0.00 -4.23 0.91 -4.27 115.64 107.93 3kt5 s THR 96 Ca 0.46 -1.53 -0.06 0.00 -1.18 0.00 0.00 61.69 59.38 3kt5 s THR 96 Cb -0.32 -1.27 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 3kt5 s THR 96 CO 0.40 -0.41 0.01 -0.22 -0.54 0.00 0.00 174.62 173.86 3kt5 s LEU 97 N -2.19 3.37 -0.04 4.79 2.96 0.18 -0.77 118.68 126.98 3kt5 s LEU 97 Ca 0.03 -0.15 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 3kt5 s LEU 97 Cb -0.06 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3kt5 s LEU 97 CO 0.01 0.08 -0.25 0.20 -1.32 0.00 0.00 176.35 175.08 3kt5 s ASN 98 N 0.91 3.13 0.00 3.68 0.01 0.17 -0.12 114.94 122.71 3kt5 s ASN 98 Ca 0.02 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 3kt5 s ASN 98 Cb -0.14 -0.55 0.00 0.00 0.41 0.00 0.00 41.25 40.97 3kt5 s ASN 98 CO 0.02 0.30 0.00 2.22 -1.51 0.00 0.00 177.10 178.13 3kt5 n PHE 99 N 2.61 0.00 0.00 2.20 1.16 -1.26 0.44 117.46 122.60 3kt5 n PHE 99 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.41 3kt5 n PHE 99 Cb 0.51 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 3kt5 n PHE 99 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 3kt5 n PRO 1001N -0.22 0.00 -3.94 3.97 -0.02 -1.26 -5.00 135.00 128.53 3kt5 n PRO 1001Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 3kt5 n PRO 1001Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 3kt5 n PRO 1001CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3kt5 s GLN 1002N 0.00 3.36 -0.07 -0.52 0.74 -1.26 -5.00 119.66 116.91 3kt5 s GLN 1002Ca 0.00 -0.40 -0.03 0.00 0.05 0.00 0.00 55.36 54.98 3kt5 s GLN 1002Cb 0.00 -3.03 0.04 0.00 1.10 0.00 0.00 33.01 31.12 3kt5 s GLN 1002CO 0.00 0.64 0.14 0.14 -0.55 0.00 0.00 175.29 175.66 3kt5 s VAL 1003N -1.38 -0.12 0.89 1.34 -7.23 0.83 -4.98 120.40 109.75 3kt5 s VAL 1003Ca 0.29 0.24 -0.13 0.00 -1.81 0.00 0.00 61.98 60.58 3kt5 s VAL 1003Cb -0.13 -0.24 0.16 0.00 0.56 0.00 0.00 36.38 36.73 3kt5 s VAL 1003CO 0.21 0.10 1.23 0.42 -0.31 0.00 0.00 175.10 176.76 3kt5 s THR 1004N 1.54 2.04 -0.15 5.32 -4.23 -1.26 -0.65 115.64 118.24 3kt5 s THR 1004Ca -0.05 -0.09 0.15 0.00 -1.18 0.00 0.00 61.69 60.52 3kt5 s THR 1004Cb -0.12 -2.95 0.33 0.00 1.34 0.00 0.00 72.50 71.11 3kt5 s THR 1004CO -0.06 0.00 1.17 0.18 -0.54 0.00 0.00 174.62 175.38 3kt5 n LEU 1005N -3.51 2.37 0.28 4.79 4.77 -1.26 -4.57 117.00 119.87 3kt5 n LEU 1005Ca 0.13 -3.31 0.17 0.00 -0.03 0.00 0.00 56.01 52.97 3kt5 n LEU 1005Cb 0.60 -0.44 0.74 0.00 -2.33 0.00 0.00 43.42 41.98 3kt5 n LEU 1005CO 0.48 0.96 1.00 -0.50 -1.33 0.00 0.00 177.39 177.99 3kt5 h TRP 1006N 0.41 0.00 -3.47 -1.77 4.06 -1.94 -3.44 115.95 109.80 3kt5 h TRP 1006Ca -0.01 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.63 3kt5 h TRP 1006Cb 1.04 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.05 3kt5 h TRP 1006CO 0.30 0.04 -0.71 -0.65 -3.56 0.00 0.00 178.44 173.86 3kt5 s GLN 1007N -3.79 1.01 0.21 0.49 -1.52 -1.26 -5.09 119.66 109.72 3kt5 s GLN 1007Ca -0.00 -1.42 -0.32 0.00 -1.95 0.00 0.00 55.36 51.67 3kt5 s GLN 1007Cb 0.10 -0.55 -0.13 0.00 -0.22 0.00 0.00 33.01 32.20 3kt5 s GLN 1007CO 0.54 0.06 1.49 0.54 -0.25 0.00 0.00 175.29 177.67 3kt5 n ARG 1008N -0.13 2.12 -2.66 2.91 1.74 -1.26 -4.86 116.66 114.52 3kt5 n ARG 1008Ca -0.11 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.31 3kt5 n ARG 1008Cb 0.60 -2.47 -0.02 0.00 -1.02 0.00 0.00 32.46 29.56 3kt5 n ARG 1008CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3kt5 s PRO 1009N 0.16 3.77 0.14 5.56 0.04 -1.26 -4.97 135.00 138.44 3kt5 s PRO 1009Ca 0.73 -1.64 -0.11 0.00 0.04 0.00 0.00 61.00 60.01 3kt5 s PRO 1009Cb -0.65 -5.32 -0.07 0.00 0.04 0.00 0.00 34.50 28.50 3kt5 s PRO 1009CO 0.44 -2.12 0.49 -0.51 0.04 0.00 0.00 177.00 175.35 3kt5 s LEU 1010N 4.06 4.30 0.09 -3.56 1.43 -1.26 -1.12 118.68 122.63 3kt5 s LEU 1010Ca 0.46 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.51 3kt5 s LEU 1010Cb 0.00 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 3kt5 s LEU 1010CO -0.03 0.08 -0.07 0.68 0.23 0.00 0.00 176.35 177.24 3kt5 s VAL 1011N -1.53 0.68 -0.12 -1.59 -7.23 0.31 -4.94 120.40 105.97 3kt5 s VAL 1011Ca 0.39 -1.86 -0.14 0.00 -1.81 0.00 0.00 61.98 58.56 3kt5 s VAL 1011Cb -0.14 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 3kt5 s VAL 1011CO 0.20 -0.83 0.31 -0.89 -0.31 0.00 0.00 175.10 173.58 3kt5 s THR 1012N -3.43 5.26 0.16 5.32 2.01 -1.26 -0.65 115.64 123.04 3kt5 s THR 1012Ca 0.10 0.60 0.09 0.00 0.31 0.00 0.00 61.69 62.79 3kt5 s THR 1012Cb 0.04 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 3kt5 s THR 1012CO -0.04 0.45 -0.19 0.27 -0.69 0.00 0.00 174.62 174.41 3kt5 s ILE 1013N 0.01 1.82 -0.16 1.82 -4.36 0.10 -0.99 121.20 119.44 3kt5 s ILE 1013Ca 0.19 -1.87 0.02 0.00 -0.26 0.00 0.00 60.65 58.72 3kt5 s ILE 1013Cb -0.14 -1.81 0.01 0.00 1.25 0.00 0.00 42.46 41.77 3kt5 s ILE 1013CO 0.06 -0.27 -0.20 -0.75 0.24 0.00 0.00 174.94 174.02 3kt5 s LYS 1014N -2.66 3.04 -0.09 0.37 2.20 0.04 -1.26 119.74 121.37 3kt5 s LYS 1014Ca 0.15 -0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 54.86 3kt5 s LYS 1014Cb -0.06 -2.52 0.03 0.00 -1.51 0.00 0.00 37.83 33.77 3kt5 s LYS 1014CO 0.06 -0.08 0.23 -1.50 -0.36 0.00 0.00 175.35 173.71 3kt5 s ILE 1015N 0.99 -0.01 -1.45 5.43 2.07 -0.40 -1.27 121.20 126.56 3kt5 s ILE 1015Ca -0.02 0.05 -0.07 0.00 -1.41 0.00 0.00 60.65 59.19 3kt5 s ILE 1015Cb -0.15 -0.34 0.04 0.00 0.13 0.00 0.00 42.46 42.14 3kt5 s ILE 1015CO -0.05 0.02 0.65 0.61 -1.91 0.00 0.00 174.94 174.26 3kt5 n GLY 1016N 3.38 -0.51 2.88 1.50 0.00 -1.26 -0.83 105.19 110.35 3kt5 n GLY 1016Ca -0.17 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3kt5 n GLY 1016CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt5 n GLY 1017N -1.47 0.33 3.57 -0.02 0.00 -1.26 -4.98 105.19 101.36 3kt5 n GLY 1017Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3kt5 n GLY 1017CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kt5 s GLN 1018N -0.83 2.05 -0.16 1.61 -0.21 -0.01 -5.12 119.66 116.99 3kt5 s GLN 1018Ca 0.00 -1.21 -0.06 0.00 0.02 0.00 0.00 55.36 54.10 3kt5 s GLN 1018Cb 0.00 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.79 3kt5 s GLN 1018CO 0.00 0.45 0.06 -0.51 -2.12 0.00 0.00 175.29 173.18 3kt5 s LEU 1019N -2.66 3.86 0.19 2.90 1.43 -1.26 -1.27 118.68 121.87 3kt5 s LEU 1019Ca 0.24 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.46 3kt5 s LEU 1019Cb -0.09 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3kt5 s LEU 1019CO 0.14 0.24 0.16 -0.54 0.23 0.00 0.00 176.35 176.58 3kt5 s LYS 1020N -0.03 1.19 0.01 1.70 1.02 -0.39 -5.00 119.74 118.24 3kt5 s LYS 1020Ca 0.06 -1.55 0.04 0.00 0.02 0.00 0.00 55.97 54.54 3kt5 s LYS 1020Cb -0.12 0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.44 3kt5 s LYS 1020CO 0.01 -0.39 -0.09 -2.00 -0.92 0.00 0.00 175.35 171.96 3kt5 s GLU 1021N -4.12 2.46 0.05 1.68 2.12 -1.26 -0.72 118.70 118.90 3kt5 s GLU 1021Ca 0.34 -0.77 -0.08 0.00 0.36 0.00 0.00 54.97 54.82 3kt5 s GLU 1021Cb 0.06 -2.44 -0.00 0.00 0.26 0.00 0.00 34.13 32.00 3kt5 s GLU 1021CO 0.10 0.59 0.15 0.00 -0.54 0.00 0.00 175.26 175.56 3kt5 s ALA 1022N -0.99 -0.21 -0.22 6.30 0.00 0.18 -4.61 121.76 122.20 3kt5 s ALA 1022Ca 0.17 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 3kt5 s ALA 1022Cb -0.11 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 3kt5 s ALA 1022CO 0.07 -0.38 0.26 -1.17 0.00 0.00 0.00 175.76 174.54 3kt5 s LEU 1023N -2.30 4.13 -0.27 0.00 2.96 0.07 -0.53 118.68 122.73 3kt5 s LEU 1023Ca -0.02 0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.87 3kt5 s LEU 1023Cb 0.01 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 3kt5 s LEU 1023CO -0.06 0.01 1.64 -0.76 -1.32 0.00 0.00 176.35 175.86 3kt5 s LEU 1024N 1.16 3.75 -0.40 -0.68 1.43 -0.27 -0.54 118.68 123.12 3kt5 s LEU 1024Ca 0.12 1.44 0.03 0.00 -1.03 0.00 0.00 54.13 54.68 3kt5 s LEU 1024Cb -0.14 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.66 3kt5 s LEU 1024CO 0.06 -1.40 0.15 -0.62 0.23 0.00 0.00 176.35 174.76 3kt5 s ASP 1025N 4.70 4.30 0.45 2.29 -1.08 -0.41 -4.16 116.67 122.77 3kt5 s ASP 1025Ca 0.72 -2.36 0.31 0.00 -0.52 0.00 0.00 52.55 50.71 3kt5 s ASP 1025Cb -0.23 -1.37 1.54 0.00 -1.46 0.00 0.00 42.92 41.40 3kt5 s ASP 1025CO 0.31 -0.33 1.94 0.71 0.52 0.00 0.00 175.17 178.32 3kt5 h THR 1026N 6.05 0.00 -0.07 1.71 1.35 -1.84 -2.33 112.91 117.78 3kt5 h THR 1026Ca -0.06 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3kt5 h THR 1026Cb 0.97 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3kt5 h THR 1026CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 3kt5 n GLY 1027N -0.72 -0.06 3.45 5.82 0.00 -1.26 -4.66 105.19 107.76 3kt5 n GLY 1027Ca -0.01 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3kt5 n GLY 1027CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kt5 s ALA 1028N -1.92 2.89 0.08 4.61 0.00 -0.88 -5.00 121.76 121.54 3kt5 s ALA 1028Ca 0.36 -0.87 -0.19 0.00 0.00 0.00 0.00 51.96 51.26 3kt5 s ALA 1028Cb 0.19 -1.49 -0.09 0.00 0.00 0.00 0.00 23.12 21.73 3kt5 s ALA 1028CO 0.30 0.16 1.49 -0.44 0.00 0.00 0.00 175.76 177.27 3kt5 h ASP 1029N 6.84 0.42 -2.50 0.00 3.45 -1.88 0.15 116.42 122.90 3kt5 h ASP 1029Ca -0.31 -0.34 -0.55 0.00 0.43 0.00 0.00 57.03 56.27 3kt5 h ASP 1029Cb 1.19 -0.11 -0.14 0.00 -0.56 0.00 0.00 39.33 39.71 3kt5 h ASP 1029CO 0.61 0.66 -0.65 -1.81 -1.57 0.00 0.00 179.24 176.48 3kt5 s ASP 1030N -5.97 3.14 0.02 6.45 -0.00 -1.26 -1.90 116.67 117.14 3kt5 s ASP 1030Ca -0.14 -1.27 -0.25 0.00 -0.00 0.00 0.00 52.55 50.89 3kt5 s ASP 1030Cb 0.07 -0.24 -0.05 0.00 -0.00 0.00 0.00 42.92 42.70 3kt5 s ASP 1030CO 0.75 -0.39 0.78 -0.89 -0.00 0.00 0.00 175.17 175.41 3kt5 s THR 1031N -2.92 4.80 -0.09 -1.27 2.01 -1.26 -3.46 115.64 113.46 3kt5 s THR 1031Ca 0.33 1.65 -0.01 0.00 0.31 0.00 0.00 61.69 63.97 3kt5 s THR 1031Cb 0.06 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 68.47 3kt5 s THR 1031CO 0.15 0.32 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.67 3kt5 s VAL 1032N 0.22 0.70 0.10 3.82 1.01 -0.45 -0.64 120.40 125.16 3kt5 s VAL 1032Ca 0.40 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.36 3kt5 s VAL 1032Cb -0.20 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3kt5 s VAL 1032CO 0.23 0.31 -0.15 -0.76 0.00 0.00 0.00 175.10 174.73 3kt5 s LEU 1033N 1.78 2.83 0.95 3.92 1.43 0.77 -0.73 118.68 129.63 3kt5 s LEU 1033Ca 0.04 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 3kt5 s LEU 1033Cb -0.13 -1.65 0.16 0.00 0.03 0.00 0.00 46.19 44.61 3kt5 s LEU 1033CO -0.06 0.19 1.12 -1.61 0.23 0.00 0.00 176.35 176.23 3kt5 s GLU 1034N -2.03 0.76 -0.01 1.70 2.02 -1.26 -1.62 118.70 118.26 3kt5 s GLU 1034Ca 0.19 1.41 -0.39 0.00 0.02 0.00 0.00 54.97 56.19 3kt5 s GLU 1034Cb -0.11 -1.71 -0.19 0.00 0.10 0.00 0.00 34.13 32.23 3kt5 s GLU 1034CO 0.11 -2.76 1.24 -1.91 0.02 0.00 0.00 175.26 171.95 3kt5 n GLU 1035N -4.31 0.48 -3.57 1.61 4.07 -1.23 -4.59 120.64 113.09 3kt5 n GLU 1035Ca 0.10 0.17 -0.11 0.00 -0.06 0.00 0.00 57.16 57.27 3kt5 n GLU 1035Cb 0.52 -1.74 -0.03 0.00 -0.06 0.00 0.00 31.44 30.14 3kt5 n GLU 1035CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kt5 s MET 1036N 0.55 1.29 -0.31 5.31 0.23 -1.26 -5.04 119.30 120.07 3kt5 s MET 1036Ca 0.90 -0.64 -0.26 0.00 -1.03 0.00 0.00 55.69 54.66 3kt5 s MET 1036Cb -1.16 0.55 0.01 0.00 -1.53 0.00 0.00 34.83 32.70 3kt5 s MET 1036CO 0.55 -0.55 0.91 0.45 -2.03 0.00 0.00 175.02 174.35 3kt5 s SER 1037N -2.80 6.79 0.03 -1.18 0.15 -1.26 -5.04 113.70 110.39 3kt5 s SER 1037Ca 0.04 0.84 0.07 0.00 0.70 0.00 0.00 55.95 57.60 3kt5 s SER 1037Cb -0.01 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.81 3kt5 s SER 1037CO -0.09 -0.72 -0.20 -0.22 1.20 0.00 0.00 173.24 173.21 3kt5 s LEU 1038N 3.23 2.14 0.24 3.45 2.96 -1.26 -4.90 118.68 124.54 3kt5 s LEU 1038Ca 0.38 -0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 53.51 3kt5 s LEU 1038Cb -0.13 -0.96 -0.09 0.00 0.50 0.00 0.00 46.19 45.51 3kt5 s LEU 1038CO 0.13 0.17 1.04 -2.16 -1.32 0.00 0.00 176.35 174.21 3kt5 s PRO 1039N -1.04 4.71 0.00 0.98 0.04 -1.26 -4.96 135.00 133.47 3kt5 s PRO 1039Ca 0.07 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3kt5 s PRO 1039Cb -0.08 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.21 3kt5 s PRO 1039CO 0.01 0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.75 3kt5 n GLY 1040N 1.53 -1.69 3.90 0.56 0.00 -1.26 -5.01 105.19 103.22 3kt5 n GLY 1040Ca -0.00 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 3kt5 n GLY 1040CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kt5 s ARG 1041N 0.00 3.63 0.21 1.61 0.52 -1.26 -5.10 118.95 118.56 3kt5 s ARG 1041Ca 0.00 0.21 -0.16 0.00 -0.52 0.00 0.00 55.73 55.26 3kt5 s ARG 1041Cb 0.00 -2.44 0.02 0.00 0.52 0.00 0.00 34.95 33.04 3kt5 s ARG 1041CO 0.00 -0.06 0.52 1.67 0.02 0.00 0.00 175.30 177.45 3kt5 s TRP 1042N -2.49 -0.01 -0.03 -0.53 1.48 -1.26 -4.66 118.94 111.43 3kt5 s TRP 1042Ca 0.47 -0.35 0.07 0.00 -1.06 0.00 0.00 56.10 55.23 3kt5 s TRP 1042Cb -0.10 0.36 -0.02 0.00 -1.16 0.00 0.00 33.47 32.55 3kt5 s TRP 1042CO 0.38 -0.95 -0.24 0.15 -4.06 0.00 0.00 176.95 172.22 3kt5 s LYS 1043N -3.91 2.17 0.56 3.25 1.02 -0.41 -4.88 119.74 117.54 3kt5 s LYS 1043Ca 0.12 -0.87 -0.21 0.00 0.02 0.00 0.00 55.97 55.03 3kt5 s LYS 1043Cb -0.01 -1.99 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 3kt5 s LYS 1043CO 0.01 0.46 1.16 -2.30 -0.92 0.00 0.00 175.35 173.76 3kt5 n PRO 1044N 2.67 1.31 -3.62 -1.68 -0.02 -1.26 0.45 135.00 132.85 3kt5 n PRO 1044Ca -0.16 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 61.69 3kt5 n PRO 1044Cb 0.52 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 3kt5 n PRO 1044CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3kt5 s LYS 1045N -2.75 0.65 -0.15 -0.52 2.20 -0.45 -4.79 119.74 113.93 3kt5 s LYS 1045Ca 0.73 0.62 -0.05 0.00 -0.36 0.00 0.00 55.97 56.91 3kt5 s LYS 1045Cb -0.43 0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 36.17 3kt5 s LYS 1045CO 0.49 -0.11 0.02 -1.64 -0.36 0.00 0.00 175.35 173.75 3kt5 s MET 1046N -0.01 3.64 0.12 4.03 -1.94 -1.26 0.71 119.30 124.58 3kt5 s MET 1046Ca 0.01 -0.41 0.09 0.00 -1.71 0.00 0.00 55.69 53.66 3kt5 s MET 1046Cb -0.04 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.75 3kt5 s MET 1046CO -0.02 0.37 -0.22 0.96 -0.01 0.00 0.00 175.02 176.10 3kt5 s ILE 1047N 0.05 1.85 0.15 2.53 -4.36 -0.36 -4.97 121.20 116.10 3kt5 s ILE 1047Ca 0.03 -1.64 0.05 0.00 -0.26 0.00 0.00 60.65 58.83 3kt5 s ILE 1047Cb -0.13 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 3kt5 s ILE 1047CO 0.02 -0.05 0.11 -0.83 0.24 0.00 0.00 174.94 174.43 3kt5 s GLY 1048N -2.03 1.77 0.06 6.27 0.00 -1.26 -1.13 107.32 111.00 3kt5 s GLY 1048Ca 0.09 -1.19 -0.02 0.00 0.00 0.00 0.00 44.72 43.60 3kt5 s GLY 1048CO 0.05 -1.20 0.11 0.61 0.00 0.00 0.00 173.10 172.68 3kt5 n GLY 1049N -0.19 2.18 0.32 0.20 0.00 0.60 -4.98 105.19 103.33 3kt5 n GLY 1049Ca -0.08 -1.16 0.12 0.00 0.00 0.00 0.00 46.02 44.89 3kt5 n GLY 1049CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kt5 h ILE 1050N 1.16 0.91 -0.48 -0.61 2.10 -1.87 -2.32 117.51 116.40 3kt5 h ILE 1050Ca -0.05 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.83 3kt5 h ILE 1050Cb 0.20 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 36.65 3kt5 h ILE 1050CO 0.07 0.03 0.00 0.61 -1.08 0.00 0.00 178.15 177.78 3kt5 n GLY 1051N -1.56 2.39 0.00 8.18 0.00 -0.65 -4.65 105.19 108.91 3kt5 n GLY 1051Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3kt5 n GLY 1051CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kt5 n GLY 1052N 1.06 0.53 3.52 -0.02 0.00 -0.88 -4.04 105.19 105.37 3kt5 n GLY 1052Ca 0.17 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 3kt5 n GLY 1052CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kt5 s PHE 1053N -2.09 2.52 0.09 1.61 0.40 -1.26 -0.29 117.98 118.95 3kt5 s PHE 1053Ca 0.00 -0.27 0.05 0.00 -0.60 0.00 0.00 56.93 56.11 3kt5 s PHE 1053Cb 0.00 -1.22 -0.03 0.00 0.51 0.00 0.00 43.02 42.28 3kt5 s PHE 1053CO 0.00 0.53 -0.12 0.96 0.70 0.00 0.00 175.22 177.28 3kt5 s ILE 1054N -1.77 1.09 -0.08 0.64 -4.36 -0.28 -4.62 121.20 111.81 3kt5 s ILE 1054Ca 0.24 -1.52 -0.22 0.00 -0.26 0.00 0.00 60.65 58.89 3kt5 s ILE 1054Cb -0.08 -1.27 -0.04 0.00 1.25 0.00 0.00 42.46 42.32 3kt5 s ILE 1054CO 0.14 -0.40 0.66 -0.54 0.24 0.00 0.00 174.94 175.03 3kt5 s LYS 1055N -2.35 4.41 0.29 0.37 1.02 -1.26 -1.23 119.74 120.99 3kt5 s LYS 1055Ca 0.03 0.79 0.05 0.00 0.02 0.00 0.00 55.97 56.86 3kt5 s LYS 1055Cb -0.06 -3.45 -0.06 0.00 -0.52 0.00 0.00 37.83 33.74 3kt5 s LYS 1055CO 0.02 0.06 -0.02 0.14 -0.92 0.00 0.00 175.35 174.63 3kt5 s VAL 1056N 0.83 1.47 -0.22 3.17 -7.23 0.22 -4.42 120.40 114.22 3kt5 s VAL 1056Ca 0.35 -2.08 -0.10 0.00 -1.81 0.00 0.00 61.98 58.35 3kt5 s VAL 1056Cb -0.17 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 3kt5 s VAL 1056CO 0.16 -0.22 0.13 -0.13 -0.31 0.00 0.00 175.10 174.73 3kt5 s ARG 1057N -3.78 4.09 -0.35 4.82 0.52 0.43 -1.34 118.95 123.33 3kt5 s ARG 1057Ca 0.31 -0.27 -0.17 0.00 -0.52 0.00 0.00 55.73 55.08 3kt5 s ARG 1057Cb 0.05 -3.43 -0.00 0.00 0.52 0.00 0.00 34.95 32.09 3kt5 s ARG 1057CO 0.13 0.18 0.46 -1.14 0.02 0.00 0.00 175.30 174.94 3kt5 s GLN 1058N 0.69 3.56 -0.17 3.54 0.74 0.17 -1.36 119.66 126.84 3kt5 s GLN 1058Ca 0.07 -0.29 -0.05 0.00 0.05 0.00 0.00 55.36 55.14 3kt5 s GLN 1058Cb -0.12 -3.82 -0.03 0.00 1.10 0.00 0.00 33.01 30.14 3kt5 s GLN 1058CO 0.01 -0.62 -0.01 0.71 -0.55 0.00 0.00 175.29 174.84 3kt5 s TYR 1059N 2.25 3.09 0.29 1.67 1.51 -0.48 -1.29 117.35 124.39 3kt5 s TYR 1059Ca 0.16 -0.20 0.07 0.00 -1.01 0.00 0.00 57.07 56.09 3kt5 s TYR 1059Cb -0.16 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 3kt5 s TYR 1059CO 0.13 0.01 0.29 -0.51 -1.11 0.00 0.00 175.55 174.35 3kt5 s ASP 1060N 0.40 5.59 -1.51 2.29 1.11 -1.26 -0.52 116.67 122.77 3kt5 s ASP 1060Ca -0.02 -0.29 -0.09 0.00 0.18 0.00 0.00 52.55 52.33 3kt5 s ASP 1060Cb -0.14 -1.28 0.07 0.00 1.07 0.00 0.00 42.92 42.64 3kt5 s ASP 1060CO 0.02 -0.21 0.73 0.00 1.18 0.00 0.00 175.17 176.89 3kt5 n GLN 1061N -1.34 -4.18 -3.45 8.23 6.02 -1.01 -4.91 117.38 116.75 3kt5 n GLN 1061Ca -0.05 0.49 -0.37 0.00 -0.01 0.00 0.00 57.00 57.06 3kt5 n GLN 1061Cb 0.58 -5.07 -0.07 0.00 1.02 0.00 0.00 30.24 26.71 3kt5 n GLN 1061CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kt5 s ILE 1062N -3.54 5.25 -0.09 5.09 -1.09 0.10 -4.77 121.20 122.14 3kt5 s ILE 1062Ca 0.40 0.72 -0.27 0.00 -2.23 0.00 0.00 60.65 59.27 3kt5 s ILE 1062Cb -0.21 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 3kt5 s ILE 1062CO 0.87 0.37 0.90 -0.22 -1.23 0.00 0.00 174.94 175.63 3kt5 s LEU 1063N 0.45 4.27 -0.00 2.97 2.96 -1.26 -1.64 118.68 126.43 3kt5 s LEU 1063Ca 0.21 1.40 0.06 0.00 -0.22 0.00 0.00 54.13 55.58 3kt5 s LEU 1063Cb -0.14 -3.39 -0.02 0.00 0.50 0.00 0.00 46.19 43.15 3kt5 s LEU 1063CO 0.07 -0.33 -0.19 -0.63 -1.32 0.00 0.00 176.35 173.95 3kt5 s ILE 1064N 1.59 1.51 -0.34 6.68 1.01 -0.08 -4.39 121.20 127.18 3kt5 s ILE 1064Ca 0.44 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 3kt5 s ILE 1064Cb -0.18 -1.27 0.05 0.00 0.01 0.00 0.00 42.46 41.07 3kt5 s ILE 1064CO 0.19 0.38 0.10 -0.70 0.00 0.00 0.00 174.94 174.91 3kt5 s GLU 1065N -0.58 2.54 -0.36 2.79 2.12 -0.40 -1.05 118.70 123.76 3kt5 s GLU 1065Ca 0.07 -1.26 -0.09 0.00 0.36 0.00 0.00 54.97 54.05 3kt5 s GLU 1065Cb -0.08 -3.44 0.04 0.00 0.26 0.00 0.00 34.13 30.92 3kt5 s GLU 1065CO -0.00 -0.71 0.17 0.42 -0.54 0.00 0.00 175.26 174.60 3kt5 s ILE 1066N 1.36 4.22 -1.48 -3.70 1.01 0.12 -0.78 121.20 121.93 3kt5 s ILE 1066Ca -0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.57 3kt5 s ILE 1066Cb -0.20 -3.39 0.02 0.00 0.01 0.00 0.00 42.46 38.89 3kt5 s ILE 1066CO 0.02 -0.24 0.36 0.00 0.00 0.00 0.00 174.94 175.08 3kt5 n GLY 1068N -1.24 0.72 3.82 0.00 0.00 -1.26 -5.03 105.19 102.21 3kt5 n GLY 1068Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3kt5 n GLY 1068CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kt5 s HIS 1069N -2.81 3.55 0.11 1.61 4.02 -0.66 -5.06 115.29 116.05 3kt5 s HIS 1069Ca 0.00 0.51 -0.13 0.00 1.02 0.00 0.00 55.06 56.46 3kt5 s HIS 1069Cb 0.00 -2.06 -0.06 0.00 -1.02 0.00 0.00 32.58 29.44 3kt5 s HIS 1069CO 0.00 0.57 0.49 0.15 1.02 0.00 0.00 174.74 176.97 3kt5 s LYS 1070N -0.54 3.92 -0.00 1.40 1.02 -1.26 0.11 119.74 124.38 3kt5 s LYS 1070Ca 0.14 0.40 -0.21 0.00 0.02 0.00 0.00 55.97 56.32 3kt5 s LYS 1070Cb -0.12 -2.99 0.04 0.00 -0.52 0.00 0.00 37.83 34.24 3kt5 s LYS 1070CO 0.03 0.53 0.46 0.00 -0.92 0.00 0.00 175.35 175.45 3kt5 s ALA 1071N -1.39 -1.17 -0.09 5.17 0.00 -0.21 -4.89 121.76 119.18 3kt5 s ALA 1071Ca 0.35 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.95 3kt5 s ALA 1071Cb -0.15 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3kt5 s ALA 1071CO 0.18 -0.37 -0.19 0.42 0.00 0.00 0.00 175.76 175.81 3kt5 s ILE 1072N -1.72 1.68 0.00 0.00 1.01 -1.26 -0.90 121.20 120.01 3kt5 s ILE 1072Ca -0.10 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.77 3kt5 s ILE 1072Cb -0.02 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.96 3kt5 s ILE 1072CO 0.03 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.06 3kt5 n GLY 1073N 3.76 1.74 3.76 6.18 0.00 -0.65 -4.86 105.19 115.13 3kt5 n GLY 1073Ca -0.20 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 3kt5 n GLY 1073CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kt5 s THR 1074N -2.53 4.50 -0.10 2.61 2.01 -1.26 -0.72 115.64 120.15 3kt5 s THR 1074Ca 0.00 1.75 0.01 0.00 0.31 0.00 0.00 61.69 63.76 3kt5 s THR 1074Cb 0.00 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.36 3kt5 s THR 1074CO 0.00 0.44 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.57 3kt5 s VAL 1075N -0.59 1.13 -0.02 3.82 1.01 0.32 -4.33 120.40 121.74 3kt5 s VAL 1075Ca 0.39 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 3kt5 s VAL 1075Cb -0.22 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 3kt5 s VAL 1075CO 0.26 0.37 0.40 -0.76 0.00 0.00 0.00 175.10 175.37 3kt5 s LEU 1076N 1.27 4.45 -0.08 3.92 1.43 0.19 -1.38 118.68 128.47 3kt5 s LEU 1076Ca -0.03 0.91 0.03 0.00 -1.03 0.00 0.00 54.13 54.02 3kt5 s LEU 1076Cb -0.14 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.53 3kt5 s LEU 1076CO -0.04 0.30 -0.20 -0.69 0.23 0.00 0.00 176.35 175.95 3kt5 s VAL 1077N -0.88 1.71 -1.70 -1.59 1.01 -0.46 -0.16 120.40 118.32 3kt5 s VAL 1077Ca 0.23 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3kt5 s VAL 1077Cb -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3kt5 s VAL 1077CO 0.12 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3kt5 n GLY 1078N 3.61 -1.27 2.09 4.51 0.00 -0.64 -0.43 105.19 113.06 3kt5 n GLY 1078Ca -0.20 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 3kt5 n GLY 1078CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kt5 n PRO 1079N 0.00 1.39 -2.67 1.61 -0.04 -1.26 -3.58 135.00 130.46 3kt5 n PRO 1079Ca 0.00 -0.66 -0.38 0.00 -0.04 0.00 0.00 63.50 62.41 3kt5 n PRO 1079Cb 0.00 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 31.61 3kt5 n PRO 1079CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kt5 s THR 1080N 1.46 3.93 0.22 0.52 -1.32 -1.26 -4.75 115.64 114.45 3kt5 s THR 1080Ca 0.44 1.74 0.28 0.00 -1.21 0.00 0.00 61.69 62.94 3kt5 s THR 1080Cb 0.21 -4.03 0.29 0.00 -1.51 0.00 0.00 72.50 67.46 3kt5 s THR 1080CO 0.00 0.26 1.94 1.55 -2.21 0.00 0.00 174.62 176.17 3kt5 h PRO 1081N 3.46 0.00 -3.44 7.08 0.13 -1.90 -3.42 132.00 133.92 3kt5 h PRO 1081Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 3kt5 h PRO 1081Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 3kt5 h PRO 1081CO 0.66 0.15 -0.54 0.08 -0.23 0.00 0.00 178.00 178.11 3kt5 s VAL 1082N -3.82 0.02 0.06 1.56 1.01 -1.26 -5.05 120.40 112.92 3kt5 s VAL 1082Ca -0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.49 3kt5 s VAL 1082Cb 0.11 -0.26 -0.07 0.00 0.00 0.00 0.00 36.38 36.16 3kt5 s VAL 1082CO 0.60 -0.10 1.45 0.20 0.00 0.00 0.00 175.10 177.25 3kt5 s ASN 1083N -0.29 6.78 -0.01 3.32 0.01 -1.26 -4.73 114.94 118.76 3kt5 s ASN 1083Ca -0.04 2.27 0.05 0.00 -0.71 0.00 0.00 52.86 54.44 3kt5 s ASN 1083Cb -0.03 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 3kt5 s ASN 1083CO 0.00 -0.73 -0.17 0.27 -1.51 0.00 0.00 177.10 174.96 3kt5 s ILE 1084N 1.99 1.37 -0.34 0.60 -4.36 0.10 -0.75 121.20 119.80 3kt5 s ILE 1084Ca 0.66 -0.78 -0.13 0.00 -0.26 0.00 0.00 60.65 60.14 3kt5 s ILE 1084Cb -0.35 -1.15 -0.02 0.00 1.25 0.00 0.00 42.46 42.20 3kt5 s ILE 1084CO 0.29 0.35 0.24 -0.63 0.24 0.00 0.00 174.94 175.44 3kt5 s ILE 1085N -0.45 5.28 0.62 8.37 -1.09 0.30 -1.34 121.20 132.89 3kt5 s ILE 1085Ca 0.06 -0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 3kt5 s ILE 1085Cb -0.07 -3.72 0.12 0.00 -1.58 0.00 0.00 42.46 37.21 3kt5 s ILE 1085CO -0.00 -0.02 0.85 0.61 -1.23 0.00 0.00 174.94 175.15 3kt5 n GLY 1086N 5.11 0.79 0.30 6.18 0.00 -1.22 -1.29 105.19 115.05 3kt5 n GLY 1086Ca -0.13 -2.04 0.04 0.00 0.00 0.00 0.00 46.02 43.89 3kt5 n GLY 1086CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kt5 h ARG 1087N 0.00 0.48 0.00 1.61 3.08 -0.31 -1.14 114.38 118.10 3kt5 h ARG 1087Ca -0.28 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 3kt5 h ARG 1087Cb 1.07 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 3kt5 h ARG 1087CO 0.31 0.36 -0.01 0.66 -1.07 0.00 0.00 179.97 180.22 3kt5 h SER 1088N 0.49 0.00 0.00 7.04 4.64 -1.65 -0.84 113.55 123.23 3kt5 h SER 1088Ca 0.13 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.22 3kt5 h SER 1088Cb 0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 3kt5 h SER 1088CO -0.02 0.01 -2.04 0.18 -0.87 0.00 0.00 176.83 174.09 3kt5 n LEU 1089N -3.18 0.00 -0.25 5.97 4.77 -0.85 -4.39 117.00 119.07 3kt5 n LEU 1089Ca -0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 3kt5 n LEU 1089Cb 0.15 0.30 0.19 0.00 -2.33 0.00 0.00 43.42 41.74 3kt5 n LEU 1089CO 0.23 0.30 1.21 -0.07 -1.33 0.00 0.00 177.39 177.73 3kt5 h LEU 1090N 0.00 0.94 -1.31 2.23 3.38 -0.49 -1.62 115.31 118.45 3kt5 h LEU 1090Ca -0.34 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 3kt5 h LEU 1090Cb 1.71 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 3kt5 h LEU 1090CO 0.02 0.72 0.04 0.71 0.09 0.00 0.00 178.44 180.02 3kt5 h THR 1091N 1.09 1.18 0.00 0.22 1.35 -1.40 -1.45 112.91 113.89 3kt5 h THR 1091Ca 0.28 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3kt5 h THR 1091Cb -0.05 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 3kt5 h THR 1091CO -0.05 0.24 0.00 1.56 -0.25 0.00 0.00 175.52 177.01 3kt5 h GLN 1092N 0.49 0.00 -0.41 4.72 4.20 -1.50 -2.62 115.11 119.99 3kt5 h GLN 1092Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3kt5 h GLN 1092Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3kt5 h GLN 1092CO 0.00 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.60 3kt5 n ILE 1093N -2.91 1.91 -2.60 2.54 -5.35 -1.07 -4.94 119.36 106.94 3kt5 n ILE 1093Ca 0.02 -1.45 -0.17 0.00 -0.27 0.00 0.00 62.75 60.88 3kt5 n ILE 1093Cb 0.33 0.03 0.01 0.00 -1.74 0.00 0.00 39.64 38.26 3kt5 n ILE 1093CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kt5 n GLY 1094N 0.26 -0.29 3.75 3.28 0.00 -0.99 -4.76 105.19 106.45 3kt5 n GLY 1094Ca 0.21 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3kt5 n GLY 1094CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kt5 s ALA 1095N -2.94 3.42 0.05 4.61 0.00 -0.57 -4.44 121.76 121.89 3kt5 s ALA 1095Ca 0.12 0.95 0.03 0.00 0.00 0.00 0.00 51.96 53.06 3kt5 s ALA 1095Cb -0.05 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3kt5 s ALA 1095CO 0.15 -0.26 -0.09 0.95 0.00 0.00 0.00 175.76 176.51 3kt5 s THR 1096N -0.85 0.64 -0.18 0.00 -4.23 0.17 -4.24 115.64 106.95 3kt5 s THR 1096Ca 0.47 -1.23 -0.10 0.00 -1.18 0.00 0.00 61.69 59.65 3kt5 s THR 1096Cb -0.33 -0.82 -0.05 0.00 1.34 0.00 0.00 72.50 72.64 3kt5 s THR 1096CO 0.41 -0.43 0.15 -0.76 -0.54 0.00 0.00 174.62 173.46 3kt5 s LEU 1097N -1.80 4.24 -0.08 4.79 1.43 0.15 -0.66 118.68 126.74 3kt5 s LEU 1097Ca -0.06 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 3kt5 s LEU 1097Cb -0.08 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 44.02 3kt5 s LEU 1097CO 0.00 0.20 -0.15 0.20 0.23 0.00 0.00 176.35 176.83 3kt5 s ASN 1098N 0.21 2.15 0.00 2.29 -0.87 0.05 -0.10 114.94 118.66 3kt5 s ASN 1098Ca 0.10 -0.37 0.00 0.00 -1.57 0.00 0.00 52.86 51.02 3kt5 s ASN 1098Cb -0.11 -0.98 0.00 0.00 -0.02 0.00 0.00 41.25 40.13 3kt5 s ASN 1098CO -0.00 0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.80