#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk3 n SER 2 N 0.00 1.73 -0.03 1.61 7.64 -1.26 -4.70 113.62 118.60 2dk3 n SER 2 Ca 0.00 0.30 -0.14 0.00 1.01 0.00 0.00 58.87 60.04 2dk3 n SER 2 Cb 0.00 -0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 62.40 2dk3 n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dk3 h SER 3 N -0.86 0.18 -2.63 6.43 4.64 -2.12 -3.50 113.55 115.70 2dk3 h SER 3 Ca -0.44 -0.65 0.00 0.00 -0.47 0.00 0.00 61.79 60.23 2dk3 h SER 3 Cb 1.35 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2dk3 h SER 3 CO -0.27 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 2dk3 n GLY 4 N 0.68 0.18 3.32 -0.77 0.00 -1.26 -5.16 105.19 102.18 2dk3 n GLY 4 Ca -0.09 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.97 0.08 -0.11 1.61 0.01 -1.26 -4.98 113.70 105.07 2dk3 s SER 5 Ca 0.00 -1.23 -0.07 0.00 1.31 0.00 0.00 55.95 55.96 2dk3 s SER 5 Cb 0.00 0.44 -0.05 0.00 0.21 0.00 0.00 66.02 66.62 2dk3 s SER 5 CO 0.00 -0.93 -0.16 -1.20 0.41 0.00 0.00 173.24 171.35 2dk3 n SER 6 N -0.30 0.98 -4.09 2.44 7.64 -1.26 -5.07 113.62 113.96 2dk3 n SER 6 Ca 0.00 0.17 -0.13 0.00 1.01 0.00 0.00 58.87 59.92 2dk3 n SER 6 Cb 0.65 -0.39 -0.11 0.00 -1.01 0.00 0.00 64.21 63.34 2dk3 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dk3 s GLY 7 N -5.11 0.59 -0.11 0.23 0.00 -1.26 -5.16 107.32 96.51 2dk3 s GLY 7 Ca -0.17 -0.88 -0.30 0.00 0.00 0.00 0.00 44.72 43.37 2dk3 s GLY 7 CO 0.22 -0.93 0.76 0.54 0.00 0.00 0.00 173.10 173.69 2dk3 s VAL 8 N -1.66 0.00 0.00 1.40 0.11 -1.26 -5.08 120.40 113.91 2dk3 s VAL 8 Ca -0.06 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2dk3 s VAL 8 Cb -0.08 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 2dk3 s VAL 8 CO 0.00 0.00 0.00 -1.14 -3.33 0.00 0.00 175.10 170.63 2dk3 n ARG 9 N 1.14 0.00 -0.79 1.54 3.00 -1.26 -4.84 116.66 115.46 2dk3 n ARG 9 Ca -0.16 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.60 2dk3 n ARG 9 Cb 0.57 -0.29 -0.12 0.00 0.00 0.00 0.00 32.46 32.63 2dk3 n ARG 9 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2dk3 n SER 10 N -2.59 4.72 -0.05 6.15 3.41 -1.26 -4.01 113.62 120.00 2dk3 n SER 10 Ca 0.00 -2.35 -0.11 0.00 -0.26 0.00 0.00 58.87 56.15 2dk3 n SER 10 Cb 0.21 -1.21 -0.14 0.00 -0.26 0.00 0.00 64.21 62.80 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 2.31 0.66 0.06 4.33 10.64 -1.26 -4.22 117.38 129.90 2dk3 n GLN 11 Ca 0.29 0.20 -0.08 0.00 -1.83 0.00 0.00 57.00 55.59 2dk3 n GLN 11 Cb 0.73 -1.70 0.06 0.00 -0.86 0.00 0.00 30.24 28.48 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 0.01 1.39 -0.34 -0.39 3.04 -1.99 -3.05 116.25 114.92 2dk3 h VAL 12 Ca -0.39 -2.10 0.10 0.00 -1.01 0.00 0.00 66.70 63.29 2dk3 h VAL 12 Cb 2.07 2.08 -0.01 0.00 -2.01 0.00 0.00 31.29 33.42 2dk3 h VAL 12 CO 0.06 0.63 0.39 -0.07 -1.01 0.00 0.00 177.57 177.56 2dk3 h LEU 13 N 0.24 0.00 -1.01 3.16 3.38 -1.87 0.54 115.31 119.75 2dk3 h LEU 13 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2dk3 h LEU 13 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2dk3 h LEU 13 CO 0.11 0.00 -0.30 0.11 0.09 0.00 0.00 178.44 178.46 2dk3 h LYS 14 N 0.00 0.00 0.00 1.13 1.57 -1.74 -2.95 116.57 114.57 2dk3 h LYS 14 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2dk3 h LYS 14 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 2dk3 h LYS 14 CO -0.00 0.30 -1.28 0.66 -0.57 0.00 0.00 179.45 178.55 2dk3 n TYR 15 N -3.46 0.02 -1.69 -1.35 4.02 0.17 -4.78 117.16 110.10 2dk3 n TYR 15 Ca -0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.62 2dk3 n TYR 15 Cb 0.47 -0.18 -0.08 0.00 -0.02 0.00 0.00 39.34 39.53 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 -1.75 1.04 -4.41 -0.72 2.81 -0.37 -4.87 117.12 108.86 2dk3 n MET 16 Ca 0.02 -2.06 -0.27 0.00 -1.81 0.00 0.00 57.70 53.57 2dk3 n MET 16 Cb 0.41 -3.59 -0.12 0.00 -0.71 0.00 0.00 33.22 29.21 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 11.75 2.44 -0.77 2.03 -7.23 -1.26 -3.78 120.40 123.58 2dk3 s VAL 17 Ca 0.71 -1.98 -0.25 0.00 -1.81 0.00 0.00 61.98 58.65 2dk3 s VAL 17 Cb 0.01 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 2dk3 s VAL 17 CO 0.17 -0.10 1.91 -2.16 -0.31 0.00 0.00 175.10 174.61 2dk3 s PRO 18 N -2.65 2.58 0.00 4.82 0.04 -1.26 -2.43 135.00 136.11 2dk3 s PRO 18 Ca 0.21 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.38 2dk3 s PRO 18 Cb -0.08 -4.75 0.00 0.00 0.04 0.00 0.00 34.50 29.71 2dk3 s PRO 18 CO 0.10 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.46 2dk3 n GLY 19 N 6.32 -0.46 2.71 0.56 0.00 0.48 -4.81 105.19 109.99 2dk3 n GLY 19 Ca 0.31 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 2dk3 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk3 n ALA 20 N 0.00 0.57 -2.68 4.61 0.00 -1.02 -4.89 120.51 117.10 2dk3 n ALA 20 Ca 0.00 -1.42 -0.34 0.00 0.00 0.00 0.00 53.44 51.68 2dk3 n ALA 20 Cb 0.00 0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.67 2dk3 n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dk3 s ARG 21 N -4.01 2.99 0.23 0.00 1.81 -1.26 -2.15 118.95 116.57 2dk3 s ARG 21 Ca 0.44 -0.47 -0.11 0.00 -1.72 0.00 0.00 55.73 53.87 2dk3 s ARG 21 Cb -0.03 -2.74 -0.01 0.00 -0.45 0.00 0.00 34.95 31.72 2dk3 s ARG 21 CO 0.28 0.63 0.43 0.14 -0.68 0.00 0.00 175.30 176.10 2dk3 s VAL 22 N -0.70 0.01 0.36 3.52 -7.23 -1.09 -3.25 120.40 112.02 2dk3 s VAL 22 Ca 0.11 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 2dk3 s VAL 22 Cb -0.12 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.64 2dk3 s VAL 22 CO 0.02 -0.03 0.49 2.30 -0.31 0.00 0.00 175.10 177.57 2dk3 n ILE 23 N -0.36 0.00 -2.34 -0.62 -5.35 0.84 -0.62 119.36 110.92 2dk3 n ILE 23 Ca -0.02 -1.91 -0.41 0.00 -0.27 0.00 0.00 62.75 60.15 2dk3 n ILE 23 Cb 0.62 1.15 -0.03 0.00 -1.74 0.00 0.00 39.64 39.64 2dk3 n ILE 23 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dk3 s ARG 24 N -2.88 4.52 0.00 6.28 1.70 -1.26 -1.19 118.95 126.12 2dk3 s ARG 24 Ca 0.31 1.95 0.00 0.00 -0.47 0.00 0.00 55.73 57.52 2dk3 s ARG 24 Cb -0.01 -3.16 0.00 0.00 -0.57 0.00 0.00 34.95 31.21 2dk3 s ARG 24 CO 0.22 0.02 0.00 0.41 -1.08 0.00 0.00 175.30 174.87 2dk3 n GLY 25 N 1.33 2.23 0.10 3.88 0.00 0.10 -4.70 105.19 108.13 2dk3 n GLY 25 Ca 0.01 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 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 0.14 -3.97 0.99 3.38 -1.80 -3.36 115.31 110.69 2dk3 h LEU 26 Ca 0.00 -0.28 -0.34 0.00 0.09 0.00 0.00 57.88 57.35 2dk3 h LEU 26 Cb 0.00 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 40.58 2dk3 h LEU 26 CO 0.00 1.25 0.21 0.47 0.09 0.00 0.00 178.44 180.46 2dk3 n ASP 27 N -3.20 6.13 -4.42 -0.43 8.00 -1.23 -4.80 116.55 116.60 2dk3 n ASP 27 Ca -0.20 -2.95 -0.44 0.00 0.71 0.00 0.00 54.79 51.91 2dk3 n ASP 27 Cb 1.05 -1.21 -0.01 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.06 3.66 -0.09 1.24 -0.11 -1.26 -4.37 118.94 116.95 2dk3 s TRP 28 Ca 0.47 -2.14 -0.01 0.00 1.22 0.00 0.00 56.10 55.64 2dk3 s TRP 28 Cb 0.29 -4.15 0.04 0.00 -1.50 0.00 0.00 33.47 28.16 2dk3 s TRP 28 CO -0.09 -1.26 2.11 0.36 -4.62 0.00 0.00 176.95 173.44 2dk3 n LYS 29 N 4.91 1.29 -4.19 5.86 2.85 -1.26 -4.83 118.16 122.80 2dk3 n LYS 29 Ca 0.29 -0.50 -0.15 0.00 -1.05 0.00 0.00 58.31 56.90 2dk3 n LYS 29 Cb 0.43 -1.24 -0.11 0.00 -0.65 0.00 0.00 35.03 33.47 2dk3 n LYS 29 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2dk3 s TRP 30 N -0.44 1.12 0.00 5.58 0.52 -1.26 -5.10 118.94 119.36 2dk3 s TRP 30 Ca 0.13 -0.63 0.00 0.00 0.02 0.00 0.00 56.10 55.62 2dk3 s TRP 30 Cb 0.09 -0.61 0.00 0.00 -1.15 0.00 0.00 33.47 31.80 2dk3 s TRP 30 CO -0.01 0.03 0.00 0.54 0.02 0.00 0.00 176.95 177.53 2dk3 n ARG 31 N 0.59 0.00 -3.57 4.98 5.12 -1.26 -4.86 116.66 117.67 2dk3 n ARG 31 Ca -0.16 0.19 -0.27 0.00 -1.93 0.00 0.00 57.85 55.68 2dk3 n ARG 31 Cb 0.57 -0.65 -0.10 0.00 -1.16 0.00 0.00 32.46 31.13 2dk3 n ARG 31 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2dk3 n ASP 32 N -2.08 1.35 -0.10 0.55 5.68 -1.26 -4.89 116.55 115.80 2dk3 n ASP 32 Ca 0.00 -2.83 -0.14 0.00 -0.50 0.00 0.00 54.79 51.32 2dk3 n ASP 32 Cb 0.00 -0.65 -0.14 0.00 -1.14 0.00 0.00 41.12 39.19 2dk3 n ASP 32 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dk3 n GLN 33 N 2.15 0.68 0.22 0.11 1.13 -1.26 -4.57 117.38 115.84 2dk3 n GLN 33 Ca 0.25 0.10 -0.12 0.00 -1.94 0.00 0.00 57.00 55.29 2dk3 n GLN 33 Cb 0.43 -1.56 -0.07 0.00 0.11 0.00 0.00 30.24 29.15 2dk3 n GLN 33 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2dk3 h ASP 34 N 0.01 -0.52 0.00 1.08 5.19 -1.96 -3.48 116.42 116.75 2dk3 h ASP 34 Ca -0.53 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 55.80 2dk3 h ASP 34 Cb 2.07 0.13 0.00 0.00 0.18 0.00 0.00 39.33 41.72 2dk3 h ASP 34 CO -0.01 -0.11 0.00 0.61 -3.12 0.00 0.00 179.24 176.61 2dk3 n GLY 35 N -0.18 1.21 2.67 2.75 0.00 -1.26 -4.22 105.19 106.17 2dk3 n GLY 35 Ca -0.10 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 2dk3 n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk3 s SER 36 N 0.00 3.83 1.14 1.61 1.04 -1.26 -1.64 113.70 118.42 2dk3 s SER 36 Ca 0.00 -1.50 -0.17 0.00 0.48 0.00 0.00 55.95 54.77 2dk3 s SER 36 Cb 0.00 -0.69 0.26 0.00 0.10 0.00 0.00 66.02 65.69 2dk3 s SER 36 CO 0.00 -0.42 1.10 -2.16 0.98 0.00 0.00 173.24 172.74 2dk3 s PRO 37 N 1.78 -0.69 0.29 4.02 0.04 -1.26 -5.19 135.00 133.99 2dk3 s PRO 37 Ca 0.09 0.13 0.03 0.00 0.04 0.00 0.00 61.00 61.30 2dk3 s PRO 37 Cb -0.17 -1.64 0.03 0.00 0.04 0.00 0.00 34.50 32.76 2dk3 s PRO 37 CO -0.28 -3.40 0.28 0.00 0.04 0.00 0.00 177.00 173.64 2dk3 n GLN 38 N -4.58 0.98 0.00 4.56 10.64 -0.65 -4.99 117.38 123.34 2dk3 n GLN 38 Ca 0.10 -1.69 0.00 0.00 -1.83 0.00 0.00 57.00 53.58 2dk3 n GLN 38 Cb 0.59 0.08 0.00 0.00 -0.86 0.00 0.00 30.24 30.05 2dk3 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dk3 n GLY 39 N 1.55 -0.73 3.26 2.61 0.00 -1.26 -4.97 105.19 105.64 2dk3 n GLY 39 Ca 0.02 0.63 -0.25 0.00 0.00 0.00 0.00 46.02 46.42 2dk3 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dk3 s GLU 40 N 1.74 1.31 0.41 1.61 2.02 -1.26 -4.88 118.70 119.65 2dk3 s GLU 40 Ca 0.00 -1.00 0.06 0.00 0.02 0.00 0.00 54.97 54.05 2dk3 s GLU 40 Cb 0.00 -1.46 0.06 0.00 0.10 0.00 0.00 34.13 32.83 2dk3 s GLU 40 CO 0.00 0.36 0.51 0.41 0.02 0.00 0.00 175.26 176.56 2dk3 n GLY 41 N 1.64 2.17 2.82 -1.39 0.00 0.21 -4.10 105.19 106.54 2dk3 n GLY 41 Ca -0.18 -2.22 -0.14 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.69 -0.45 0.27 2.61 2.01 -1.25 -2.69 115.64 114.45 2dk3 s THR 42 Ca 0.39 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 2dk3 s THR 42 Cb -0.03 -0.76 -0.13 0.00 0.01 0.00 0.00 72.50 71.58 2dk3 s THR 42 CO 0.25 -0.19 1.31 0.52 -0.69 0.00 0.00 174.62 175.82 2dk3 n VAL 43 N 5.34 1.39 -0.03 3.82 0.31 -0.91 -0.97 118.33 127.28 2dk3 n VAL 43 Ca -0.04 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 2dk3 n VAL 43 Cb 0.50 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 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 1.20 0.00 -4.19 2.52 5.66 -0.30 0.18 114.28 119.36 2dk3 n THR 44 Ca 0.09 -0.38 -0.18 0.00 -3.05 0.00 0.00 64.05 60.54 2dk3 n THR 44 Cb 0.33 1.03 -0.12 0.00 -1.55 0.00 0.00 70.33 70.02 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 -0.65 0.84 -0.10 1.09 0.00 -0.84 -4.63 107.32 103.02 2dk3 s GLY 45 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 2dk3 s GLY 45 CO 0.00 -0.99 0.98 -0.54 0.00 0.00 0.00 173.10 172.55 2dk3 s GLU 46 N -1.66 4.42 -0.73 2.90 2.02 -1.26 -3.73 118.70 120.65 2dk3 s GLU 46 Ca -0.02 1.34 -0.33 0.00 0.02 0.00 0.00 54.97 55.99 2dk3 s GLU 46 Cb -0.10 -3.54 -0.17 0.00 0.10 0.00 0.00 34.13 30.42 2dk3 s GLU 46 CO 0.02 -0.28 2.49 -0.11 0.02 0.00 0.00 175.26 177.39 2dk3 n LEU 47 N 4.90 0.99 -4.32 1.80 7.94 -1.25 -4.69 117.00 122.36 2dk3 n LEU 47 Ca 0.08 0.17 -0.37 0.00 -1.11 0.00 0.00 56.01 54.78 2dk3 n LEU 47 Cb 0.49 -1.08 -0.13 0.00 0.53 0.00 0.00 43.42 43.23 2dk3 n LEU 47 CO 0.51 -0.88 -0.29 -1.38 -1.11 0.00 0.00 177.39 174.24 2dk3 s HIS 48 N 8.86 3.14 -1.42 1.96 -3.43 0.83 -4.54 115.29 120.69 2dk3 s HIS 48 Ca 1.23 -1.08 -0.06 0.00 -0.80 0.00 0.00 55.06 54.36 2dk3 s HIS 48 Cb -1.05 -2.23 0.01 0.00 -1.43 0.00 0.00 32.58 27.88 2dk3 s HIS 48 CO 0.48 -0.60 0.73 0.09 -2.00 0.00 0.00 174.74 173.43 2dk3 n ASN 49 N 4.84 -5.97 -0.19 7.38 3.02 -1.26 -1.73 115.26 121.34 2dk3 n ASN 49 Ca -0.15 -0.34 -0.02 0.00 -0.03 0.00 0.00 54.58 54.04 2dk3 n ASN 49 Cb 0.48 -4.73 -0.01 0.00 -0.61 0.00 0.00 39.78 34.90 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 -1.61 0.52 2.74 7.41 0.00 -1.26 -4.28 105.19 108.70 2dk3 n GLY 50 Ca -0.08 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.09 0.96 -0.01 1.61 0.52 -0.71 -0.93 118.94 118.29 2dk3 s TRP 51 Ca 0.00 -0.75 0.06 0.00 0.02 0.00 0.00 56.10 55.44 2dk3 s TRP 51 Cb 0.00 -0.99 -0.03 0.00 -1.15 0.00 0.00 33.47 31.30 2dk3 s TRP 51 CO 0.00 -0.57 -0.20 -1.50 0.02 0.00 0.00 176.95 174.70 2dk3 s ILE 52 N 1.88 2.59 0.20 2.03 -1.16 -1.17 -0.12 121.20 125.45 2dk3 s ILE 52 Ca 0.00 -1.03 -0.05 0.00 -0.51 0.00 0.00 60.65 59.05 2dk3 s ILE 52 Cb -0.16 -2.01 -0.06 0.00 0.61 0.00 0.00 42.46 40.84 2dk3 s ILE 52 CO -0.08 0.49 0.45 -1.81 -2.81 0.00 0.00 174.94 171.19 2dk3 s ASP 53 N -0.94 6.49 -0.13 4.50 1.01 -1.24 -2.07 116.67 124.28 2dk3 s ASP 53 Ca 0.12 0.66 -0.06 0.00 0.71 0.00 0.00 52.55 53.97 2dk3 s ASP 53 Cb -0.10 -2.12 0.05 0.00 1.01 0.00 0.00 42.92 41.76 2dk3 s ASP 53 CO 0.02 -0.04 0.29 0.54 0.21 0.00 0.00 175.17 176.19 2dk3 s VAL 54 N -1.80 -0.14 -0.78 -1.27 0.11 -1.11 -1.15 120.40 114.26 2dk3 s VAL 54 Ca 0.43 0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 59.51 2dk3 s VAL 54 Cb -0.11 -0.46 0.21 0.00 -1.53 0.00 0.00 36.38 34.48 2dk3 s VAL 54 CO 0.26 0.07 0.71 -0.89 -3.33 0.00 0.00 175.10 171.91 2dk3 s THR 55 N 1.57 5.37 0.92 5.04 2.01 -0.14 -3.38 115.64 127.03 2dk3 s THR 55 Ca -0.07 -2.44 -0.12 0.00 0.31 0.00 0.00 61.69 59.37 2dk3 s THR 55 Cb -0.10 -4.34 0.07 0.00 0.01 0.00 0.00 72.50 68.14 2dk3 s THR 55 CO -0.10 -1.00 0.70 0.79 -0.69 0.00 0.00 174.62 174.33 2dk3 n TRP 56 N 4.03 -0.50 0.08 4.92 7.02 -1.25 -3.92 117.44 127.82 2dk3 n TRP 56 Ca 0.11 0.30 -0.12 0.00 -1.02 0.00 0.00 57.50 56.77 2dk3 n TRP 56 Cb 0.45 -1.88 -0.06 0.00 -2.42 0.00 0.00 31.31 27.40 2dk3 n TRP 56 CO 0.00 0.00 0.00 0.38 -2.02 0.00 0.00 177.69 176.05 2dk3 h ASP 57 N -1.56 -0.25 -0.86 -0.99 3.04 -1.85 -2.60 116.42 111.35 2dk3 h ASP 57 Ca -0.44 0.03 0.22 0.00 -3.24 0.00 0.00 57.03 53.61 2dk3 h ASP 57 Cb 1.28 0.10 -0.14 0.00 -1.04 0.00 0.00 39.33 39.53 2dk3 h ASP 57 CO 0.38 -0.14 0.20 0.00 -2.04 0.00 0.00 179.24 177.63 2dk3 h ALA 58 N 0.73 1.19 0.00 4.15 0.00 -1.91 -3.46 119.26 119.95 2dk3 h ALA 58 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dk3 h ALA 58 Cb 0.20 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2dk3 h ALA 58 CO -0.05 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.16 2dk3 n GLY 59 N -1.38 3.12 0.00 0.00 0.00 -0.98 -5.10 105.19 100.85 2dk3 n GLY 59 Ca 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2dk3 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dk3 n GLY 60 N 0.00 1.77 3.77 -0.02 0.00 -1.26 -4.93 105.19 104.52 2dk3 n GLY 60 Ca 0.00 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2dk3 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk3 s SER 61 N 0.00 6.50 0.14 1.61 1.04 -1.26 -3.87 113.70 117.86 2dk3 s SER 61 Ca 0.00 0.59 -0.16 0.00 0.48 0.00 0.00 55.95 56.87 2dk3 s SER 61 Cb 0.00 -2.18 0.03 0.00 0.10 0.00 0.00 66.02 63.97 2dk3 s SER 61 CO 0.00 0.19 0.40 0.20 0.98 0.00 0.00 173.24 175.01 2dk3 s ASN 62 N -0.04 -0.21 -0.00 7.02 0.01 -1.22 -4.94 114.94 115.56 2dk3 s ASN 62 Ca 0.18 -0.39 -0.19 0.00 -0.71 0.00 0.00 52.86 51.75 2dk3 s ASN 62 Cb -0.14 0.48 -0.06 0.00 0.41 0.00 0.00 41.25 41.95 2dk3 s ASN 62 CO 0.06 -0.88 0.56 -0.44 -1.51 0.00 0.00 177.10 174.89 2dk3 s SER 63 N -2.83 6.95 0.16 -1.22 0.01 -1.26 -2.76 113.70 112.75 2dk3 s SER 63 Ca 0.05 1.12 0.08 0.00 1.31 0.00 0.00 55.95 58.52 2dk3 s SER 63 Cb 0.02 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2dk3 s SER 63 CO -0.10 0.15 -0.18 -0.31 0.41 0.00 0.00 173.24 173.20 2dk3 s TYR 64 N -0.36 1.82 -0.05 2.43 2.02 -0.88 -4.95 117.35 117.37 2dk3 s TYR 64 Ca 0.29 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 56.23 2dk3 s TYR 64 Cb -0.18 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 2dk3 s TYR 64 CO 0.16 0.32 1.40 1.03 -1.57 0.00 0.00 175.55 176.89 2dk3 s ARG 65 N -2.72 4.26 -0.05 -0.62 0.52 -1.26 -3.03 118.95 116.05 2dk3 s ARG 65 Ca 0.15 1.92 0.18 0.00 -0.52 0.00 0.00 55.73 57.46 2dk3 s ARG 65 Cb -0.06 -3.69 0.34 0.00 0.52 0.00 0.00 34.95 32.07 2dk3 s ARG 65 CO 0.06 -0.64 1.15 -1.33 0.02 0.00 0.00 175.30 174.56 2dk3 n MET 66 N 5.94 0.43 0.00 3.54 2.81 -0.11 -0.29 117.12 129.44 2dk3 n MET 66 Ca 0.14 -2.15 0.00 0.00 -1.81 0.00 0.00 57.70 53.87 2dk3 n MET 66 Cb 0.44 -0.54 0.00 0.00 -0.71 0.00 0.00 33.22 32.41 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 -0.07 0.56 0.18 3.03 0.00 -1.17 -4.84 105.19 102.87 2dk3 n GLY 67 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 2dk3 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk3 h ALA 68 N 0.00 0.24 -0.04 4.61 0.00 -1.72 -2.82 119.26 119.53 2dk3 h ALA 68 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2dk3 h ALA 68 Cb 0.00 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2dk3 h ALA 68 CO 0.00 -0.47 -0.08 0.39 0.00 0.00 0.00 179.25 179.08 2dk3 n GLU 69 N -5.32 1.53 -1.96 0.00 1.02 -1.26 -4.95 120.64 109.70 2dk3 n GLU 69 Ca 0.02 -2.75 -0.04 0.00 -0.02 0.00 0.00 57.16 54.38 2dk3 n GLU 69 Cb 0.23 -1.57 -0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.28 0.27 2.93 0.62 0.00 -1.07 -5.04 105.19 101.63 2dk3 n GLY 70 Ca 0.18 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.97 1.64 -0.54 1.61 -0.14 -1.26 -4.93 119.74 112.15 2dk3 s LYS 71 Ca 0.00 -0.31 -0.16 0.00 -1.36 0.00 0.00 55.97 54.14 2dk3 s LYS 71 Cb 0.00 -1.64 0.12 0.00 -1.68 0.00 0.00 37.83 34.62 2dk3 s LYS 71 CO 0.00 -0.24 0.52 -0.06 -0.76 0.00 0.00 175.35 174.81 2dk3 s PHE 72 N 1.60 3.20 0.08 3.18 0.08 -1.26 -2.86 117.98 122.01 2dk3 s PHE 72 Ca 0.04 -1.16 0.00 0.00 0.12 0.00 0.00 56.93 55.93 2dk3 s PHE 72 Cb -0.13 -3.74 -0.26 0.00 -0.57 0.00 0.00 43.02 38.33 2dk3 s PHE 72 CO -0.08 -1.03 1.14 -0.44 -0.10 0.00 0.00 175.22 174.71 2dk3 h ASP 73 N 8.92 0.26 -2.74 1.36 5.19 -0.85 -3.26 116.42 125.31 2dk3 h ASP 73 Ca -0.30 -0.29 -0.58 0.00 -0.62 0.00 0.00 57.03 55.24 2dk3 h ASP 73 Cb 1.10 -0.08 -0.08 0.00 0.18 0.00 0.00 39.33 40.44 2dk3 h ASP 73 CO 1.03 1.23 -0.59 -0.76 -3.12 0.00 0.00 179.24 177.02 2dk3 s LEU 74 N -6.94 3.65 0.08 1.55 1.43 -1.26 0.00 118.68 117.19 2dk3 s LEU 74 Ca -0.03 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 52.71 2dk3 s LEU 74 Cb 0.08 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 44.05 2dk3 s LEU 74 CO 0.86 0.07 0.33 -1.59 0.23 0.00 0.00 176.35 176.25 2dk3 s LYS 75 N -3.07 0.92 0.38 1.70 -2.85 -0.33 -4.73 119.74 111.76 2dk3 s LYS 75 Ca 0.30 -0.64 -0.26 0.00 -1.00 0.00 0.00 55.97 54.38 2dk3 s LYS 75 Cb -0.10 0.40 -0.12 0.00 -2.06 0.00 0.00 37.83 35.96 2dk3 s LYS 75 CO 0.22 -0.32 1.03 1.28 0.10 0.00 0.00 175.35 177.66 2dk3 n LEU 76 N 0.17 2.48 -4.75 2.77 4.77 -1.26 -0.11 117.00 121.07 2dk3 n LEU 76 Ca -0.17 1.09 -0.33 0.00 -0.03 0.00 0.00 56.01 56.57 2dk3 n LEU 76 Cb 0.61 -1.35 0.08 0.00 -2.33 0.00 0.00 43.42 40.43 2dk3 n LEU 76 CO 0.20 -1.37 0.75 0.00 -1.33 0.00 0.00 177.39 175.64 2dk3 s ALA 77 N -1.21 2.26 -1.07 -1.18 0.00 -1.20 -4.52 121.76 114.84 2dk3 s ALA 77 Ca 0.61 0.61 -0.23 0.00 0.00 0.00 0.00 51.96 52.95 2dk3 s ALA 77 Cb -0.59 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.09 2dk3 s ALA 77 CO 0.58 -1.63 1.94 -1.25 0.00 0.00 0.00 175.76 175.41 2dk3 s PRO 78 N -4.18 2.52 0.00 0.00 0.04 -1.26 -2.16 135.00 129.96 2dk3 s PRO 78 Ca 0.68 -0.83 0.00 0.00 0.04 0.00 0.00 61.00 60.90 2dk3 s PRO 78 Cb -0.23 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.14 2dk3 s PRO 78 CO 0.46 -3.74 0.00 0.41 0.04 0.00 0.00 177.00 174.16 2dk3 n GLY 79 N 6.22 1.42 3.51 0.56 0.00 -1.26 -5.13 105.19 110.50 2dk3 n GLY 79 Ca 0.43 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.59 3.06 -0.20 1.61 6.14 -0.92 -5.01 117.35 120.45 2dk3 s TYR 80 Ca 0.00 -0.28 -0.17 0.00 0.64 0.00 0.00 57.07 57.26 2dk3 s TYR 80 Cb 0.00 -2.01 -0.07 0.00 0.42 0.00 0.00 41.96 40.30 2dk3 s TYR 80 CO 0.00 -0.06 -0.34 0.43 0.64 0.00 0.00 175.55 176.22 2dk3 n SER 81 N 3.72 1.94 0.00 4.32 7.64 -1.26 -4.78 113.62 125.20 2dk3 n SER 81 Ca -0.17 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2dk3 n SER 81 Cb 0.52 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 1.43 -2.12 3.67 0.23 0.00 -1.26 -5.05 105.19 102.10 2dk3 n GLY 82 Ca -0.21 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 2dk3 n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk3 s PRO 83 N -1.85 0.38 -0.14 1.61 0.04 -1.26 -5.08 135.00 128.71 2dk3 s PRO 83 Ca 0.00 0.51 -0.04 0.00 0.04 0.00 0.00 61.00 61.51 2dk3 s PRO 83 Cb 0.00 -1.73 0.07 0.00 0.04 0.00 0.00 34.50 32.88 2dk3 s PRO 83 CO 0.00 -2.76 0.23 0.45 0.04 0.00 0.00 177.00 174.95 2dk3 s SER 84 N -3.45 0.73 -0.04 6.66 0.15 -1.26 -5.06 113.70 111.44 2dk3 s SER 84 Ca 0.65 0.30 -0.17 0.00 0.70 0.00 0.00 55.95 57.44 2dk3 s SER 84 Cb -0.19 0.51 -0.10 0.00 -1.71 0.00 0.00 66.02 64.53 2dk3 s SER 84 CO 0.58 -0.27 0.69 -1.28 1.20 0.00 0.00 173.24 174.16 2dk3 h SER 85 N 8.31 -0.37 0.00 5.45 0.87 -2.09 -3.58 113.55 122.14 2dk3 h SER 85 Ca -0.15 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2dk3 h SER 85 Cb 1.13 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2dk3 h SER 85 CO 0.18 0.09 0.00 0.61 -0.53 0.00 0.00 176.83 177.18