#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk3 s SER 2 N 0.00 4.05 -0.13 1.61 0.15 -1.26 -5.09 113.70 113.04 2dk3 s SER 2 Ca 0.00 -3.04 -0.40 0.00 0.70 0.00 0.00 55.95 53.20 2dk3 s SER 2 Cb 0.00 -1.38 -0.18 0.00 -1.71 0.00 0.00 66.02 62.75 2dk3 s SER 2 CO 0.00 -0.21 1.40 -0.24 1.20 0.00 0.00 173.24 175.38 2dk3 n SER 3 N 3.03 1.24 -2.70 5.45 2.88 -1.26 -4.86 113.62 117.40 2dk3 n SER 3 Ca 0.10 1.13 -0.05 0.00 -1.33 0.00 0.00 58.87 58.73 2dk3 n SER 3 Cb 0.34 -1.04 0.11 0.00 -0.75 0.00 0.00 64.21 62.86 2dk3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk3 n GLY 4 N 2.86 1.67 3.23 0.46 0.00 -1.26 -5.08 105.19 107.07 2dk3 n GLY 4 Ca 0.23 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.91 2dk3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk3 s SER 5 N -1.68 -0.86 -0.07 1.61 0.01 -1.26 -5.16 113.70 106.28 2dk3 s SER 5 Ca 0.18 0.69 -0.00 0.00 1.31 0.00 0.00 55.95 58.13 2dk3 s SER 5 Cb 0.42 1.78 -0.03 0.00 0.21 0.00 0.00 66.02 68.40 2dk3 s SER 5 CO -0.08 -0.16 -0.03 -0.55 0.41 0.00 0.00 173.24 172.82 2dk3 s SER 6 N 2.83 4.94 -0.86 2.44 0.15 -1.26 -4.68 113.70 117.26 2dk3 s SER 6 Ca 0.06 0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.72 2dk3 s SER 6 Cb -0.11 -1.31 -0.06 0.00 -1.71 0.00 0.00 66.02 62.83 2dk3 s SER 6 CO -0.16 0.36 0.75 0.61 1.20 0.00 0.00 173.24 176.00 2dk3 n GLY 7 N 2.11 -0.77 3.84 9.45 0.00 -1.26 -5.00 105.19 113.57 2dk3 n GLY 7 Ca -0.18 0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 2dk3 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk3 s VAL 8 N -3.32 4.74 -0.11 1.61 0.11 -1.26 -4.99 120.40 117.18 2dk3 s VAL 8 Ca 0.36 0.91 0.16 0.00 -2.93 0.00 0.00 61.98 60.49 2dk3 s VAL 8 Cb -0.05 -3.70 -0.23 0.00 -1.53 0.00 0.00 36.38 30.87 2dk3 s VAL 8 CO 0.60 0.03 0.19 -2.11 -3.33 0.00 0.00 175.10 170.49 2dk3 n ARG 9 N 0.22 0.99 -2.06 1.54 -4.01 -1.26 -4.57 116.66 107.52 2dk3 n ARG 9 Ca -0.01 -0.07 -0.37 0.00 -1.04 0.00 0.00 57.85 56.36 2dk3 n ARG 9 Cb 0.52 -1.42 0.00 0.00 -3.04 0.00 0.00 32.46 28.52 2dk3 n ARG 9 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 2dk3 n SER 10 N -2.42 7.39 -0.06 2.89 3.41 -1.26 -4.47 113.62 119.11 2dk3 n SER 10 Ca -0.17 -3.48 -0.09 0.00 -0.26 0.00 0.00 58.87 54.86 2dk3 n SER 10 Cb 0.81 -1.21 -0.15 0.00 -0.26 0.00 0.00 64.21 63.40 2dk3 n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dk3 n GLN 11 N 0.48 0.66 0.10 4.33 10.64 -1.26 -4.29 117.38 128.03 2dk3 n GLN 11 Ca 0.53 0.16 -0.15 0.00 -1.83 0.00 0.00 57.00 55.71 2dk3 n GLN 11 Cb 0.31 -1.67 -0.12 0.00 -0.86 0.00 0.00 30.24 27.90 2dk3 n GLN 11 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.06 174.99 2dk3 h VAL 12 N 0.00 1.51 0.00 -0.39 3.04 -1.96 -3.22 116.25 115.22 2dk3 h VAL 12 Ca -0.40 -3.02 0.00 0.00 -1.01 0.00 0.00 66.70 62.27 2dk3 h VAL 12 Cb 2.11 2.88 0.00 0.00 -2.01 0.00 0.00 31.29 34.27 2dk3 h VAL 12 CO 0.06 0.88 0.25 -0.07 -1.01 0.00 0.00 177.57 177.68 2dk3 h LEU 13 N 0.08 0.00 -0.40 3.16 3.38 -1.89 0.46 115.31 120.10 2dk3 h LEU 13 Ca -0.12 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2dk3 h LEU 13 Cb 1.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 2dk3 h LEU 13 CO 0.19 0.00 -0.38 0.11 0.09 0.00 0.00 178.44 178.45 2dk3 h LYS 14 N 0.00 0.00 0.00 1.13 1.57 -1.76 -3.15 116.57 114.36 2dk3 h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dk3 h LYS 14 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2dk3 h LYS 14 CO 0.00 0.38 -1.16 0.66 -0.57 0.00 0.00 179.45 178.76 2dk3 n TYR 15 N -3.30 0.04 -1.37 -1.35 4.02 0.15 -4.76 117.16 110.60 2dk3 n TYR 15 Ca 0.01 0.01 -0.33 0.00 -0.01 0.00 0.00 57.90 57.58 2dk3 n TYR 15 Cb 0.62 -0.18 -0.08 0.00 -0.02 0.00 0.00 39.34 39.67 2dk3 n TYR 15 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2dk3 n MET 16 N -1.72 0.92 -4.34 -0.72 2.81 -0.67 -4.86 117.12 108.54 2dk3 n MET 16 Ca 0.02 -1.83 -0.26 0.00 -1.81 0.00 0.00 57.70 53.82 2dk3 n MET 16 Cb 0.39 -3.28 -0.10 0.00 -0.71 0.00 0.00 33.22 29.52 2dk3 n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2dk3 s VAL 17 N 9.81 2.91 -0.73 2.03 -7.23 -1.26 -3.64 120.40 122.29 2dk3 s VAL 17 Ca 0.68 -1.83 -0.26 0.00 -1.81 0.00 0.00 61.98 58.77 2dk3 s VAL 17 Cb 0.06 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 2dk3 s VAL 17 CO 0.19 -0.14 1.89 -2.16 -0.31 0.00 0.00 175.10 174.57 2dk3 s PRO 18 N -2.86 2.60 0.00 4.82 0.04 -1.25 -2.46 135.00 135.89 2dk3 s PRO 18 Ca 0.24 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2dk3 s PRO 18 Cb -0.08 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 29.80 2dk3 s PRO 18 CO 0.14 -2.99 0.00 0.41 0.04 0.00 0.00 177.00 174.60 2dk3 n GLY 19 N 6.15 -0.30 3.98 0.56 0.00 0.40 -4.81 105.19 111.17 2dk3 n GLY 19 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.12 2dk3 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk3 s ALA 20 N -0.64 4.46 0.10 4.61 0.00 -1.03 -4.89 121.76 124.36 2dk3 s ALA 20 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.06 2dk3 s ALA 20 Cb 0.00 -1.47 -0.06 0.00 0.00 0.00 0.00 23.12 21.58 2dk3 s ALA 20 CO 0.00 -0.34 0.50 1.03 0.00 0.00 0.00 175.76 176.95 2dk3 s ARG 21 N -4.34 3.95 0.01 0.00 1.81 -1.26 -1.07 118.95 118.05 2dk3 s ARG 21 Ca 0.54 0.45 -0.23 0.00 -1.72 0.00 0.00 55.73 54.77 2dk3 s ARG 21 Cb -0.08 -3.04 0.05 0.00 -0.45 0.00 0.00 34.95 31.43 2dk3 s ARG 21 CO 0.32 0.56 0.52 0.14 -0.68 0.00 0.00 175.30 176.16 2dk3 s VAL 22 N -1.33 0.03 0.14 3.52 -7.23 -1.13 -3.45 120.40 110.94 2dk3 s VAL 22 Ca 0.33 -0.23 0.01 0.00 -1.81 0.00 0.00 61.98 60.27 2dk3 s VAL 22 Cb -0.16 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 2dk3 s VAL 22 CO 0.18 -0.13 0.00 0.27 -0.31 0.00 0.00 175.10 175.11 2dk3 s ILE 23 N -1.98 0.49 0.40 -0.62 -4.36 0.10 -0.80 121.20 114.43 2dk3 s ILE 23 Ca -0.08 -1.94 -0.24 0.00 -0.26 0.00 0.00 60.65 58.13 2dk3 s ILE 23 Cb -0.01 -1.98 -0.11 0.00 1.25 0.00 0.00 42.46 41.61 2dk3 s ILE 23 CO 0.02 -0.58 0.91 -2.11 0.24 0.00 0.00 174.94 173.42 2dk3 n ARG 24 N -0.14 1.17 0.00 0.37 1.85 -1.26 -0.57 116.66 118.08 2dk3 n ARG 24 Ca -0.08 0.42 0.00 0.00 -1.00 0.00 0.00 57.85 57.19 2dk3 n ARG 24 Cb 0.63 -1.89 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 2dk3 n ARG 24 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2dk3 n GLY 25 N 1.32 2.88 0.08 2.89 0.00 0.14 -4.59 105.19 107.91 2dk3 n GLY 25 Ca 0.10 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 2dk3 n GLY 25 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dk3 h LEU 26 N 0.00 0.05 -2.97 0.99 3.38 -1.82 -3.32 115.31 111.63 2dk3 h LEU 26 Ca 0.00 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 2dk3 h LEU 26 Cb 0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 2dk3 h LEU 26 CO 0.00 1.06 0.22 0.47 0.09 0.00 0.00 178.44 180.28 2dk3 n ASP 27 N -3.23 4.79 -4.41 -0.43 8.00 -1.09 -4.81 116.55 115.36 2dk3 n ASP 27 Ca -0.09 -2.65 -0.44 0.00 0.71 0.00 0.00 54.79 52.32 2dk3 n ASP 27 Cb 1.00 -0.87 -0.08 0.00 -0.02 0.00 0.00 41.12 41.15 2dk3 n ASP 27 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2dk3 s TRP 28 N -1.01 3.23 -0.32 1.24 -0.11 -1.25 -4.44 118.94 116.28 2dk3 s TRP 28 Ca 0.17 -0.80 0.19 0.00 1.22 0.00 0.00 56.10 56.89 2dk3 s TRP 28 Cb 0.14 -3.03 -0.27 0.00 -1.50 0.00 0.00 33.47 28.81 2dk3 s TRP 28 CO 0.01 -0.75 0.56 1.63 -4.62 0.00 0.00 176.95 173.78 2dk3 n LYS 29 N 5.25 0.64 -1.15 5.86 4.01 -1.26 -4.99 118.16 126.52 2dk3 n LYS 29 Ca -0.12 -0.12 -0.32 0.00 -0.51 0.00 0.00 58.31 57.24 2dk3 n LYS 29 Cb 0.45 -1.44 0.12 0.00 -0.51 0.00 0.00 35.03 33.64 2dk3 n LYS 29 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 2dk3 s TRP 30 N -3.17 2.04 0.00 2.13 0.52 -1.26 -5.02 118.94 114.18 2dk3 s TRP 30 Ca -0.02 1.66 0.00 0.00 0.02 0.00 0.00 56.10 57.76 2dk3 s TRP 30 Cb 0.13 -3.32 0.00 0.00 -1.15 0.00 0.00 33.47 29.14 2dk3 s TRP 30 CO 0.80 -2.45 0.00 0.54 0.02 0.00 0.00 176.95 175.87 2dk3 n ARG 31 N -3.41 0.00 -3.27 4.98 3.00 -1.26 -4.83 116.66 111.86 2dk3 n ARG 31 Ca 0.12 0.19 -0.25 0.00 -0.01 0.00 0.00 57.85 57.90 2dk3 n ARG 31 Cb 0.52 -0.63 -0.07 0.00 0.00 0.00 0.00 32.46 32.27 2dk3 n ARG 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2dk3 n ASP 32 N -1.47 1.26 0.01 0.55 8.00 -1.26 -4.90 116.55 118.74 2dk3 n ASP 32 Ca 0.00 -2.91 -0.12 0.00 0.71 0.00 0.00 54.79 52.46 2dk3 n ASP 32 Cb 0.00 -0.65 -0.14 0.00 -0.02 0.00 0.00 41.12 40.31 2dk3 n ASP 32 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2dk3 h GLN 33 N 4.10 0.09 0.15 -1.24 1.08 -2.01 -3.39 115.11 113.90 2dk3 h GLN 33 Ca 0.11 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2dk3 h GLN 33 Cb 0.81 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 2dk3 h GLN 33 CO 0.57 0.78 -0.07 0.38 -0.95 0.00 0.00 178.83 179.54 2dk3 h ASP 34 N 0.02 -0.17 -0.12 1.46 2.03 -1.93 -3.46 116.42 114.25 2dk3 h ASP 34 Ca -0.27 -0.36 0.00 0.00 -0.73 0.00 0.00 57.03 55.67 2dk3 h ASP 34 Cb 1.99 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 40.54 2dk3 h ASP 34 CO 0.10 0.39 0.00 0.61 -1.03 0.00 0.00 179.24 179.31 2dk3 n GLY 35 N 0.68 3.63 3.24 7.15 0.00 -1.26 -3.88 105.19 114.75 2dk3 n GLY 35 Ca -0.07 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 2dk3 n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk3 s SER 36 N 0.00 2.74 1.14 1.61 0.01 -1.26 -3.51 113.70 114.43 2dk3 s SER 36 Ca 0.00 -0.44 -0.17 0.00 1.31 0.00 0.00 55.95 56.65 2dk3 s SER 36 Cb 0.00 -0.57 0.26 0.00 0.21 0.00 0.00 66.02 65.91 2dk3 s SER 36 CO 0.00 0.24 1.10 -2.16 0.41 0.00 0.00 173.24 172.84 2dk3 s PRO 37 N -0.28 -0.70 0.41 12.44 0.04 -1.26 -5.07 135.00 140.58 2dk3 s PRO 37 Ca 0.01 0.12 -0.13 0.00 0.04 0.00 0.00 61.00 61.05 2dk3 s PRO 37 Cb -0.11 -1.64 -0.11 0.00 0.04 0.00 0.00 34.50 32.68 2dk3 s PRO 37 CO 0.02 -3.41 -0.14 1.04 0.04 0.00 0.00 177.00 174.55 2dk3 n GLN 38 N -4.58 0.00 -3.61 4.56 1.13 -1.23 -4.97 117.38 108.68 2dk3 n GLN 38 Ca 0.10 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.13 2dk3 n GLN 38 Cb 0.59 -0.73 -0.02 0.00 0.11 0.00 0.00 30.24 30.19 2dk3 n GLN 38 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2dk3 s GLY 39 N -0.73 -0.35 0.29 1.08 0.00 -1.26 -5.02 107.32 101.32 2dk3 s GLY 39 Ca 0.40 0.97 -0.13 0.00 0.00 0.00 0.00 44.72 45.97 2dk3 s GLY 39 CO 0.50 0.29 0.66 -0.54 0.00 0.00 0.00 173.10 174.01 2dk3 s GLU 40 N -2.74 3.92 0.13 2.90 2.02 -1.26 -4.87 118.70 118.80 2dk3 s GLU 40 Ca 0.10 0.51 0.02 0.00 0.02 0.00 0.00 54.97 55.62 2dk3 s GLU 40 Cb 0.00 -2.51 0.02 0.00 0.10 0.00 0.00 34.13 31.74 2dk3 s GLU 40 CO -0.04 0.21 0.13 0.41 0.02 0.00 0.00 175.26 175.99 2dk3 n GLY 41 N -0.30 2.64 2.96 -1.39 0.00 0.02 -4.53 105.19 104.59 2dk3 n GLY 41 Ca 0.02 -2.19 -0.07 0.00 0.00 0.00 0.00 46.02 43.79 2dk3 n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dk3 s THR 42 N -0.39 -0.68 0.32 2.61 2.01 -1.26 -2.86 115.64 115.39 2dk3 s THR 42 Ca 0.10 -0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.76 2dk3 s THR 42 Cb -0.01 -0.85 -0.13 0.00 0.01 0.00 0.00 72.50 71.52 2dk3 s THR 42 CO 0.06 -0.10 1.13 0.52 -0.69 0.00 0.00 174.62 175.54 2dk3 n VAL 43 N 5.38 2.02 -0.06 3.82 0.31 -0.23 -1.79 118.33 127.77 2dk3 n VAL 43 Ca -0.03 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 2dk3 n VAL 43 Cb 0.50 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 2dk3 n VAL 43 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2dk3 n THR 44 N 0.23 0.00 -4.22 2.52 5.66 -0.11 0.15 114.28 118.50 2dk3 n THR 44 Ca 0.07 -0.31 -0.17 0.00 -3.05 0.00 0.00 64.05 60.59 2dk3 n THR 44 Cb 0.34 1.06 -0.11 0.00 -1.55 0.00 0.00 70.33 70.07 2dk3 n THR 44 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2dk3 s GLY 45 N -0.52 1.02 -0.17 1.09 0.00 -0.93 -4.62 107.32 103.19 2dk3 s GLY 45 Ca 0.00 -1.25 -0.25 0.00 0.00 0.00 0.00 44.72 43.22 2dk3 s GLY 45 CO 0.00 -1.31 0.80 -0.54 0.00 0.00 0.00 173.10 172.05 2dk3 s GLU 46 N -2.62 4.29 -0.82 2.90 2.02 -1.26 -3.86 118.70 119.35 2dk3 s GLU 46 Ca 0.07 0.95 -0.29 0.00 0.02 0.00 0.00 54.97 55.73 2dk3 s GLU 46 Cb -0.05 -3.57 -0.17 0.00 0.10 0.00 0.00 34.13 30.44 2dk3 s GLU 46 CO 0.02 -0.30 2.60 -0.11 0.02 0.00 0.00 175.26 177.49 2dk3 n LEU 47 N 5.15 1.01 -4.61 1.80 7.94 -1.24 -4.67 117.00 122.39 2dk3 n LEU 47 Ca 0.03 -0.07 -0.34 0.00 -1.11 0.00 0.00 56.01 54.53 2dk3 n LEU 47 Cb 0.49 -1.16 -0.10 0.00 0.53 0.00 0.00 43.42 43.18 2dk3 n LEU 47 CO 0.48 -1.03 -0.27 -1.38 -1.11 0.00 0.00 177.39 174.08 2dk3 s HIS 48 N 10.16 3.20 -0.73 1.96 -3.43 0.11 -4.45 115.29 122.10 2dk3 s HIS 48 Ca 1.23 -0.01 0.00 0.00 -0.80 0.00 0.00 55.06 55.48 2dk3 s HIS 48 Cb -0.87 -2.05 0.00 0.00 -1.43 0.00 0.00 32.58 28.23 2dk3 s HIS 48 CO 0.41 0.12 0.00 0.09 -2.00 0.00 0.00 174.74 173.36 2dk3 n ASN 49 N 3.51 -2.85 -0.26 7.38 3.02 -1.26 -0.06 115.26 124.74 2dk3 n ASN 49 Ca -0.17 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2dk3 n ASN 49 Cb 0.52 -2.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.18 2dk3 n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dk3 n GLY 50 N -0.63 0.91 2.94 7.41 0.00 -1.26 -4.43 105.19 110.13 2dk3 n GLY 50 Ca -0.10 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 2dk3 n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dk3 s TRP 51 N -2.51 -0.53 0.01 1.61 0.52 0.91 -2.65 118.94 116.29 2dk3 s TRP 51 Ca 0.00 0.78 0.08 0.00 0.02 0.00 0.00 56.10 56.99 2dk3 s TRP 51 Cb 0.00 -0.08 -0.02 0.00 -1.15 0.00 0.00 33.47 32.22 2dk3 s TRP 51 CO 0.00 -0.54 -0.26 -1.50 0.02 0.00 0.00 176.95 174.68 2dk3 s ILE 52 N 2.45 2.04 0.19 2.03 -1.16 -1.23 0.05 121.20 125.57 2dk3 s ILE 52 Ca 0.06 -1.22 0.01 0.00 -0.51 0.00 0.00 60.65 58.99 2dk3 s ILE 52 Cb -0.14 -1.72 -0.04 0.00 0.61 0.00 0.00 42.46 41.17 2dk3 s ILE 52 CO -0.12 0.47 0.36 -1.81 -2.81 0.00 0.00 174.94 171.03 2dk3 s ASP 53 N -0.89 6.36 -0.15 4.50 1.11 -1.25 -0.98 116.67 125.37 2dk3 s ASP 53 Ca 0.10 0.31 -0.05 0.00 0.18 0.00 0.00 52.55 53.10 2dk3 s ASP 53 Cb -0.10 -1.97 0.07 0.00 1.07 0.00 0.00 42.92 41.99 2dk3 s ASP 53 CO 0.00 -0.03 0.29 0.54 1.18 0.00 0.00 175.17 177.16 2dk3 s VAL 54 N -1.85 -0.46 -0.92 -1.27 0.11 -0.87 -0.94 120.40 114.21 2dk3 s VAL 54 Ca 0.37 0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 59.43 2dk3 s VAL 54 Cb -0.11 -0.52 0.10 0.00 -1.53 0.00 0.00 36.38 34.32 2dk3 s VAL 54 CO 0.29 0.08 1.21 -0.89 -3.33 0.00 0.00 175.10 172.45 2dk3 s THR 55 N 2.46 4.41 0.79 5.04 2.01 -0.74 -3.60 115.64 126.01 2dk3 s THR 55 Ca 0.02 -1.12 -0.13 0.00 0.31 0.00 0.00 61.69 60.76 2dk3 s THR 55 Cb -0.12 -4.85 0.07 0.00 0.01 0.00 0.00 72.50 67.61 2dk3 s THR 55 CO -0.10 -1.64 1.19 0.26 -0.69 0.00 0.00 174.62 173.65 2dk3 s TRP 56 N 3.63 1.90 0.12 4.92 0.52 -0.99 -4.21 118.94 124.83 2dk3 s TRP 56 Ca 0.35 1.66 -0.16 0.00 0.02 0.00 0.00 56.10 57.97 2dk3 s TRP 56 Cb -0.05 -3.44 -0.02 0.00 -1.15 0.00 0.00 33.47 28.80 2dk3 s TRP 56 CO -0.06 -2.72 1.64 0.22 0.02 0.00 0.00 176.95 176.05 2dk3 h ASP 57 N -0.82 0.54 -0.86 2.95 3.58 -1.80 -3.19 116.42 116.82 2dk3 h ASP 57 Ca -0.46 -0.21 0.09 0.00 0.42 0.00 0.00 57.03 56.87 2dk3 h ASP 57 Cb 1.29 -0.14 -0.11 0.00 1.72 0.00 0.00 39.33 42.09 2dk3 h ASP 57 CO 0.47 0.60 -0.48 0.00 -2.88 0.00 0.00 179.24 176.95 2dk3 n ALA 58 N -2.32 -0.47 0.00 -0.78 0.00 -1.25 -4.77 120.51 110.92 2dk3 n ALA 58 Ca -0.01 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.19 2dk3 n ALA 58 Cb 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2dk3 n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dk3 n GLY 59 N -1.25 -0.06 3.64 0.00 0.00 -1.21 -5.10 105.19 101.21 2dk3 n GLY 59 Ca 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 2dk3 n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dk3 s GLY 60 N 0.00 -0.35 0.05 -0.02 0.00 -1.25 -5.05 107.32 100.70 2dk3 s GLY 60 Ca 0.00 2.70 0.08 0.00 0.00 0.00 0.00 44.72 47.50 2dk3 s GLY 60 CO 0.00 2.41 -0.24 -0.45 0.00 0.00 0.00 173.10 174.82 2dk3 s SER 61 N 1.36 2.86 0.05 1.64 0.15 -1.26 -2.34 113.70 116.15 2dk3 s SER 61 Ca -0.08 -0.57 -0.28 0.00 0.70 0.00 0.00 55.95 55.72 2dk3 s SER 61 Cb -0.04 -0.24 0.09 0.00 -1.71 0.00 0.00 66.02 64.11 2dk3 s SER 61 CO -0.16 0.21 1.03 0.20 1.20 0.00 0.00 173.24 175.72 2dk3 s ASN 62 N -1.27 -0.19 -0.05 5.45 0.01 -1.24 -4.96 114.94 112.69 2dk3 s ASN 62 Ca 0.10 -0.22 -0.16 0.00 -0.71 0.00 0.00 52.86 51.87 2dk3 s ASN 62 Cb -0.09 0.36 -0.05 0.00 0.41 0.00 0.00 41.25 41.88 2dk3 s ASN 62 CO 0.02 -0.65 0.42 -0.55 -1.51 0.00 0.00 177.10 174.84 2dk3 s SER 63 N -2.77 6.75 -0.01 -1.22 0.15 -1.26 -2.04 113.70 113.29 2dk3 s SER 63 Ca 0.11 0.89 0.07 0.00 0.70 0.00 0.00 55.95 57.71 2dk3 s SER 63 Cb 0.00 -2.26 -0.02 0.00 -1.71 0.00 0.00 66.02 62.03 2dk3 s SER 63 CO -0.02 0.20 -0.21 -0.31 1.20 0.00 0.00 173.24 174.10 2dk3 s TYR 64 N -0.41 2.48 -0.19 3.44 1.51 -0.15 -4.91 117.35 119.11 2dk3 s TYR 64 Ca 0.24 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.68 2dk3 s TYR 64 Cb -0.16 -1.52 -0.07 0.00 -0.11 0.00 0.00 41.96 40.10 2dk3 s TYR 64 CO 0.12 0.10 2.16 0.54 -1.11 0.00 0.00 175.55 177.36 2dk3 n ARG 65 N 2.18 1.97 -0.68 -0.62 1.74 -1.26 -3.47 116.66 116.52 2dk3 n ARG 65 Ca -0.16 0.59 0.06 0.00 -0.77 0.00 0.00 57.85 57.56 2dk3 n ARG 65 Cb 0.52 -3.05 0.19 0.00 -1.02 0.00 0.00 32.46 29.10 2dk3 n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2dk3 n MET 66 N 8.37 1.45 0.00 5.56 2.81 -1.14 -0.65 117.12 133.52 2dk3 n MET 66 Ca 0.30 -3.19 0.00 0.00 -1.81 0.00 0.00 57.70 53.00 2dk3 n MET 66 Cb 0.40 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 2dk3 n MET 66 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dk3 n GLY 67 N -0.98 1.10 0.37 3.03 0.00 -1.02 -4.84 105.19 102.85 2dk3 n GLY 67 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 2dk3 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk3 n ALA 68 N 0.00 -0.23 -1.26 4.61 0.00 -1.08 -0.24 120.51 122.30 2dk3 n ALA 68 Ca 0.00 0.90 -0.00 0.00 0.00 0.00 0.00 53.44 54.34 2dk3 n ALA 68 Cb 0.00 -0.35 0.22 0.00 0.00 0.00 0.00 19.45 19.32 2dk3 n ALA 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dk3 n GLU 69 N -5.33 2.26 -2.63 0.00 1.02 -1.26 -4.93 120.64 109.77 2dk3 n GLU 69 Ca 0.08 -3.04 -0.13 0.00 -0.02 0.00 0.00 57.16 54.05 2dk3 n GLU 69 Cb 0.34 -1.84 0.02 0.00 -0.02 0.00 0.00 31.44 29.94 2dk3 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dk3 n GLY 70 N -0.90 -0.03 2.92 0.62 0.00 0.66 -5.02 105.19 103.43 2dk3 n GLY 70 Ca 0.30 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2dk3 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk3 s LYS 71 N -5.11 1.18 -0.59 1.61 -0.14 -1.26 -4.92 119.74 110.51 2dk3 s LYS 71 Ca 0.15 -0.20 -0.15 0.00 -1.36 0.00 0.00 55.97 54.41 2dk3 s LYS 71 Cb -0.07 -1.15 0.15 0.00 -1.68 0.00 0.00 37.83 35.08 2dk3 s LYS 71 CO 0.18 -0.11 0.54 -0.06 -0.76 0.00 0.00 175.35 175.14 2dk3 s PHE 72 N 1.11 3.36 -0.03 3.18 0.08 -1.25 -2.45 117.98 121.98 2dk3 s PHE 72 Ca -0.07 -1.47 0.12 0.00 0.12 0.00 0.00 56.93 55.62 2dk3 s PHE 72 Cb -0.14 -3.78 -0.10 0.00 -0.57 0.00 0.00 43.02 38.43 2dk3 s PHE 72 CO -0.01 -1.01 1.24 -0.44 -0.10 0.00 0.00 175.22 174.90 2dk3 h ASP 73 N 8.64 0.00 -2.41 1.36 5.19 -1.10 -2.88 116.42 125.23 2dk3 h ASP 73 Ca -0.22 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.60 2dk3 h ASP 73 Cb 1.09 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.47 2dk3 h ASP 73 CO 0.97 0.76 -0.70 -0.76 -3.12 0.00 0.00 179.24 176.39 2dk3 s LEU 74 N -6.46 2.94 0.28 1.55 1.43 -1.26 0.28 118.68 117.44 2dk3 s LEU 74 Ca 0.01 -0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 52.23 2dk3 s LEU 74 Cb 0.09 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.82 2dk3 s LEU 74 CO 0.79 0.04 0.54 -1.59 0.23 0.00 0.00 176.35 176.36 2dk3 s LYS 75 N -3.42 1.71 0.39 1.70 -2.85 0.27 -4.65 119.74 112.88 2dk3 s LYS 75 Ca 0.29 -1.31 -0.27 0.00 -1.00 0.00 0.00 55.97 53.68 2dk3 s LYS 75 Cb -0.07 0.50 -0.09 0.00 -2.06 0.00 0.00 37.83 36.12 2dk3 s LYS 75 CO 0.17 -0.73 1.29 -0.51 0.10 0.00 0.00 175.35 175.67 2dk3 s LEU 76 N -3.04 4.26 0.72 2.77 1.43 -1.26 0.01 118.68 123.57 2dk3 s LEU 76 Ca 0.21 2.62 -0.13 0.00 -1.03 0.00 0.00 54.13 55.81 2dk3 s LEU 76 Cb -0.02 -3.86 0.03 0.00 0.03 0.00 0.00 46.19 42.38 2dk3 s LEU 76 CO 0.11 -0.76 1.11 0.00 0.23 0.00 0.00 176.35 177.04 2dk3 s ALA 77 N -1.25 2.30 -1.07 4.21 0.00 -1.22 -4.43 121.76 120.30 2dk3 s ALA 77 Ca 0.55 0.47 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 2dk3 s ALA 77 Cb -0.38 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.36 2dk3 s ALA 77 CO 0.49 -1.59 1.94 -1.25 0.00 0.00 0.00 175.76 175.34 2dk3 s PRO 78 N -4.42 2.53 0.00 0.00 0.04 -1.26 -2.29 135.00 129.60 2dk3 s PRO 78 Ca 0.65 -0.80 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2dk3 s PRO 78 Cb -0.20 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.17 2dk3 s PRO 78 CO 0.48 -3.72 0.00 0.41 0.04 0.00 0.00 177.00 174.21 2dk3 n GLY 79 N 6.25 1.34 3.31 0.56 0.00 -1.26 -5.14 105.19 110.25 2dk3 n GLY 79 Ca 0.43 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 2dk3 n GLY 79 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2dk3 s TYR 80 N -1.34 2.76 -0.12 1.61 6.14 -0.97 -5.02 117.35 120.41 2dk3 s TYR 80 Ca 0.00 -0.85 -0.13 0.00 0.64 0.00 0.00 57.07 56.73 2dk3 s TYR 80 Cb 0.00 -1.84 -0.04 0.00 0.42 0.00 0.00 41.96 40.50 2dk3 s TYR 80 CO 0.00 -0.34 -0.25 0.43 0.64 0.00 0.00 175.55 176.03 2dk3 n SER 81 N 3.72 1.48 0.00 4.32 7.64 -1.26 -4.78 113.62 124.73 2dk3 n SER 81 Ca -0.19 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2dk3 n SER 81 Cb 0.52 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2dk3 n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk3 n GLY 82 N 1.71 1.12 0.19 0.23 0.00 -1.26 -5.01 105.19 102.17 2dk3 n GLY 82 Ca -0.10 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 44.92 2dk3 n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk3 h PRO 83 N 0.00 0.27 -6.81 1.61 0.13 -1.99 -3.47 132.00 121.73 2dk3 h PRO 83 Ca 0.00 -0.14 -0.56 0.00 -0.87 0.00 0.00 66.00 64.43 2dk3 h PRO 83 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 2dk3 h PRO 83 CO 0.00 0.68 -0.94 0.43 -0.23 0.00 0.00 178.00 177.94 2dk3 n SER 84 N -3.99 -0.20 -4.93 1.44 7.64 -1.26 -4.93 113.62 107.40 2dk3 n SER 84 Ca -0.02 -1.17 -0.28 0.00 1.01 0.00 0.00 58.87 58.42 2dk3 n SER 84 Cb 0.52 -2.23 -0.03 0.00 -1.01 0.00 0.00 64.21 61.45 2dk3 n SER 84 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dk3 s SER 85 N -4.28 6.38 0.00 6.43 0.01 -1.26 -5.31 113.70 115.67 2dk3 s SER 85 Ca 0.06 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2dk3 s SER 85 Cb -0.03 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2dk3 s SER 85 CO 0.95 0.01 0.29 0.61 0.41 0.00 0.00 173.24 175.51