#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yr3 n SER 2 N 0.00 -1.61 -4.31 1.61 3.41 -1.26 -4.92 113.62 106.54 2yr3 n SER 2 Ca 0.00 -1.16 -0.17 0.00 -0.26 0.00 0.00 58.87 57.27 2yr3 n SER 2 Cb 0.00 -2.06 -0.10 0.00 -0.26 0.00 0.00 64.21 61.78 2yr3 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yr3 s SER 3 N -3.57 2.31 -0.09 4.04 0.15 -1.26 -5.09 113.70 110.19 2yr3 s SER 3 Ca 0.58 -0.98 -0.03 0.00 0.70 0.00 0.00 55.95 56.22 2yr3 s SER 3 Cb -0.33 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 63.87 2yr3 s SER 3 CO 0.98 -0.20 -0.07 1.23 1.20 0.00 0.00 173.24 176.39 2yr3 h GLY 4 N 2.79 0.00 -7.22 9.45 0.00 -2.08 -3.43 103.07 102.59 2yr3 h GLY 4 Ca -0.38 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.29 2yr3 h GLY 4 CO 0.60 0.00 -0.37 -0.45 0.00 0.00 0.00 176.54 176.32 2yr3 s SER 5 N -4.95 5.31 -0.40 0.19 0.15 -1.26 -5.06 113.70 107.69 2yr3 s SER 5 Ca -0.06 -3.73 -0.28 0.00 0.70 0.00 0.00 55.95 52.59 2yr3 s SER 5 Cb 0.01 -1.76 0.02 0.00 -1.71 0.00 0.00 66.02 62.58 2yr3 s SER 5 CO 0.08 -0.14 1.07 -0.94 1.20 0.00 0.00 173.24 174.51 2yr3 s SER 6 N -0.77 6.75 -0.28 5.45 1.04 -1.26 -4.94 113.70 119.69 2yr3 s SER 6 Ca 0.25 0.70 -0.38 0.00 0.48 0.00 0.00 55.95 57.01 2yr3 s SER 6 Cb -0.07 -2.53 -0.17 0.00 0.10 0.00 0.00 66.02 63.35 2yr3 s SER 6 CO -0.14 -1.04 1.20 0.61 0.98 0.00 0.00 173.24 174.86 2yr3 n GLY 7 N 4.39 0.03 3.76 7.32 0.00 -1.26 -4.83 105.19 114.60 2yr3 n GLY 7 Ca 0.11 0.78 -0.38 0.00 0.00 0.00 0.00 46.02 46.54 2yr3 n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2yr3 s MET 8 N 1.69 3.30 0.96 1.61 0.00 -1.26 -4.99 119.30 120.62 2yr3 s MET 8 Ca 0.85 2.08 -0.13 0.00 0.00 0.00 0.00 55.69 58.49 2yr3 s MET 8 Cb -1.20 -2.28 0.20 0.00 0.00 0.00 0.00 34.83 31.55 2yr3 s MET 8 CO 0.62 -1.01 0.45 0.39 0.00 0.00 0.00 175.02 175.48 2yr3 n GLU 9 N -0.91 -1.85 -3.84 3.16 1.02 -1.26 -5.05 120.64 111.91 2yr3 n GLU 9 Ca 0.10 -0.76 -0.11 0.00 -0.02 0.00 0.00 57.16 56.36 2yr3 n GLU 9 Cb 0.46 -1.37 -0.09 0.00 -0.02 0.00 0.00 31.44 30.42 2yr3 n GLU 9 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2yr3 s VAL 10 N -1.90 0.09 0.58 2.62 1.01 0.82 -4.92 120.40 118.69 2yr3 s VAL 10 Ca 0.35 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 2yr3 s VAL 10 Cb -0.06 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2yr3 s VAL 10 CO 0.29 -0.39 0.97 0.00 0.00 0.00 0.00 175.10 175.96 2yr3 s ALA 11 N -1.74 3.17 0.46 5.51 0.00 -1.26 -1.61 121.76 126.29 2yr3 s ALA 11 Ca -0.12 -0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 2yr3 s ALA 11 Cb -0.05 -2.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.03 2yr3 s ALA 11 CO 0.00 -0.56 1.17 -1.25 0.00 0.00 0.00 175.76 175.12 2yr3 s PRO 12 N -4.96 3.76 0.17 0.00 0.04 -1.26 -4.10 135.00 128.64 2yr3 s PRO 12 Ca 0.53 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 63.12 2yr3 s PRO 12 Cb -0.11 -2.41 0.07 0.00 0.04 0.00 0.00 34.50 32.10 2yr3 s PRO 12 CO 0.50 -0.55 1.03 -1.12 0.04 0.00 0.00 177.00 176.89 2yr3 s SER 13 N -1.36 -0.05 -0.20 6.66 0.01 -1.11 -4.61 113.70 113.04 2yr3 s SER 13 Ca 0.64 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 57.32 2yr3 s SER 13 Cb -0.29 0.48 0.05 0.00 0.21 0.00 0.00 66.02 66.48 2yr3 s SER 13 CO 0.35 -0.94 -0.03 -0.36 0.41 0.00 0.00 173.24 172.67 2yr3 s PHE 14 N -2.53 1.75 0.15 2.43 0.08 -1.26 -1.28 117.98 117.32 2yr3 s PHE 14 Ca 0.18 -1.25 -0.05 0.00 0.12 0.00 0.00 56.93 55.93 2yr3 s PHE 14 Cb -0.02 -1.32 -0.03 0.00 -0.57 0.00 0.00 43.02 41.08 2yr3 s PHE 14 CO 0.04 -0.67 1.38 1.03 -0.10 0.00 0.00 175.22 176.90 2yr3 h SER 15 N 8.10 0.65 -2.61 1.36 0.87 -1.73 -3.38 113.55 116.80 2yr3 h SER 15 Ca -0.20 -0.43 -0.60 0.00 -1.23 0.00 0.00 61.79 59.33 2yr3 h SER 15 Cb 1.10 -0.19 -0.40 0.00 -0.44 0.00 0.00 62.40 62.47 2yr3 h SER 15 CO 0.39 1.19 -0.81 -1.20 -0.53 0.00 0.00 176.83 175.87 2yr3 n SER 16 N -3.86 1.07 -4.26 6.23 7.64 -1.09 -4.99 113.62 114.35 2yr3 n SER 16 Ca -0.06 -2.76 -0.34 0.00 1.01 0.00 0.00 58.87 56.73 2yr3 n SER 16 Cb 0.73 -0.64 0.12 0.00 -1.01 0.00 0.00 64.21 63.41 2yr3 n SER 16 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2yr3 n VAL 17 N 2.33 0.00 -1.66 0.44 0.24 -1.26 -2.39 118.33 116.03 2yr3 n VAL 17 Ca 0.26 -0.25 -0.33 0.00 -2.04 0.00 0.00 64.34 61.98 2yr3 n VAL 17 Cb 0.43 -0.46 0.06 0.00 -1.47 0.00 0.00 33.84 32.40 2yr3 n VAL 17 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2yr3 s LEU 18 N 1.11 3.32 0.25 1.34 1.43 -1.26 -4.82 118.68 120.05 2yr3 s LEU 18 Ca 0.52 1.96 0.07 0.00 -1.03 0.00 0.00 54.13 55.65 2yr3 s LEU 18 Cb -0.13 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.49 2yr3 s LEU 18 CO 0.69 -1.71 -0.08 -0.54 0.23 0.00 0.00 176.35 174.94 2yr3 s LYS 19 N -4.25 1.46 0.56 1.70 3.01 -1.26 -4.95 119.74 116.00 2yr3 s LYS 19 Ca 0.66 -1.71 -0.20 0.00 -1.01 0.00 0.00 55.97 53.70 2yr3 s LYS 19 Cb -0.20 -1.08 -0.05 0.00 -1.01 0.00 0.00 37.83 35.49 2yr3 s LYS 19 CO 0.44 0.07 1.20 0.16 0.51 0.00 0.00 175.35 177.73 2yr3 s ASP 20 N -3.39 5.46 0.33 2.83 -4.77 -1.26 -4.83 116.67 111.03 2yr3 s ASP 20 Ca 0.27 2.37 -0.08 0.00 -3.30 0.00 0.00 52.55 51.82 2yr3 s ASP 20 Cb 0.03 -2.60 0.01 0.00 -1.09 0.00 0.00 42.92 39.27 2yr3 s ASP 20 CO 0.10 -1.41 0.54 0.00 0.70 0.00 0.00 175.17 175.10 2yr3 s ALA 22 N -3.12 -0.49 0.01 0.00 0.00 -1.26 -3.53 121.76 113.37 2yr3 s ALA 22 Ca 0.25 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 2yr3 s ALA 22 Cb -0.01 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.26 2yr3 s ALA 22 CO 0.16 -0.26 0.25 0.54 0.00 0.00 0.00 175.76 176.45 2yr3 s VAL 23 N -1.64 0.08 0.10 0.00 0.11 -1.04 -5.03 120.40 112.98 2yr3 s VAL 23 Ca -0.12 -0.65 -0.05 0.00 -2.93 0.00 0.00 61.98 58.22 2yr3 s VAL 23 Cb -0.05 -0.72 -0.05 0.00 -1.53 0.00 0.00 36.38 34.02 2yr3 s VAL 23 CO 0.01 -0.36 0.34 -0.63 -3.33 0.00 0.00 175.10 171.13 2yr3 s ILE 24 N -1.89 5.21 -0.21 7.04 1.01 -1.26 0.75 121.20 131.85 2yr3 s ILE 24 Ca -0.10 0.05 -0.34 0.00 0.00 0.00 0.00 60.65 60.26 2yr3 s ILE 24 Cb -0.04 -3.62 -0.11 0.00 0.01 0.00 0.00 42.46 38.71 2yr3 s ILE 24 CO 0.00 0.15 2.04 1.21 0.00 0.00 0.00 174.94 178.33 2yr3 n GLU 25 N 0.41 1.69 0.00 2.79 2.13 -1.26 -0.30 120.64 126.10 2yr3 n GLU 25 Ca -0.05 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.32 2yr3 n GLU 25 Cb 0.52 -2.64 0.00 0.00 0.27 0.00 0.00 31.44 29.59 2yr3 n GLU 25 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2yr3 n GLY 26 N 5.35 1.92 2.44 8.31 0.00 -1.23 -5.05 105.19 116.94 2yr3 n GLY 26 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 2yr3 n GLY 26 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yr3 n GLN 27 N -1.19 -0.28 -4.30 1.61 6.02 0.59 -4.58 117.38 115.24 2yr3 n GLN 27 Ca 0.00 -1.53 -0.18 0.00 -0.01 0.00 0.00 57.00 55.28 2yr3 n GLN 27 Cb 0.00 -0.62 -0.10 0.00 1.02 0.00 0.00 30.24 30.54 2yr3 n GLN 27 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 2yr3 s ASP 28 N -3.79 2.35 -0.24 1.08 -4.77 -1.26 -0.99 116.67 109.05 2yr3 s ASP 28 Ca 0.44 -0.94 -0.13 0.00 -3.30 0.00 0.00 52.55 48.62 2yr3 s ASP 28 Cb -0.02 -0.11 0.07 0.00 -1.09 0.00 0.00 42.92 41.78 2yr3 s ASP 28 CO 0.30 -0.16 0.59 0.72 0.70 0.00 0.00 175.17 177.32 2yr3 s PHE 29 N -2.64 -0.90 -0.27 2.11 -0.12 -0.57 -4.97 117.98 110.63 2yr3 s PHE 29 Ca 0.17 1.83 0.03 0.00 -0.05 0.00 0.00 56.93 58.91 2yr3 s PHE 29 Cb -0.02 0.51 0.06 0.00 -0.63 0.00 0.00 43.02 42.94 2yr3 s PHE 29 CO 0.05 -0.46 -0.09 0.54 -0.05 0.00 0.00 175.22 175.21 2yr3 s VAL 30 N 1.56 2.22 -0.15 -2.49 0.11 -1.26 -1.73 120.40 118.67 2yr3 s VAL 30 Ca -0.10 -1.68 -0.29 0.00 -2.93 0.00 0.00 61.98 56.98 2yr3 s VAL 30 Cb -0.06 -2.34 -0.05 0.00 -1.53 0.00 0.00 36.38 32.40 2yr3 s VAL 30 CO -0.17 -0.08 1.80 -0.76 -3.33 0.00 0.00 175.10 172.56 2yr3 s LEU 31 N 1.09 3.97 -0.15 2.54 1.43 -1.14 -4.77 118.68 121.65 2yr3 s LEU 31 Ca -0.07 1.96 -0.04 0.00 -1.03 0.00 0.00 54.13 54.95 2yr3 s LEU 31 Cb -0.20 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 2yr3 s LEU 31 CO -0.05 -1.31 -0.03 -1.58 0.23 0.00 0.00 176.35 173.62 2yr3 s GLN 32 N 4.86 3.63 0.32 1.70 0.74 -1.26 -2.20 119.66 127.45 2yr3 s GLN 32 Ca 0.80 -0.49 0.02 0.00 0.05 0.00 0.00 55.36 55.74 2yr3 s GLN 32 Cb -0.31 -2.93 -0.02 0.00 1.10 0.00 0.00 33.01 30.86 2yr3 s GLN 32 CO 0.33 0.29 0.35 0.00 -0.55 0.00 0.00 175.29 175.71 2yr3 s SER 34 N -3.28 2.76 -0.05 0.00 0.15 -1.00 -3.05 113.70 109.24 2yr3 s SER 34 Ca 0.36 -0.53 0.06 0.00 0.70 0.00 0.00 55.95 56.54 2yr3 s SER 34 Cb 0.02 -1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 63.13 2yr3 s SER 34 CO 0.22 -0.07 -0.24 0.54 1.20 0.00 0.00 173.24 174.89 2yr3 s VAL 35 N 1.48 2.18 0.49 4.45 0.11 -0.78 -1.88 120.40 126.46 2yr3 s VAL 35 Ca 0.04 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 2yr3 s VAL 35 Cb -0.13 -1.79 0.00 0.00 -1.53 0.00 0.00 36.38 32.93 2yr3 s VAL 35 CO -0.10 0.57 0.02 -2.11 -3.33 0.00 0.00 175.10 170.15 2yr3 n ARG 36 N 2.72 0.81 0.00 1.54 1.85 -0.41 -4.70 116.66 118.47 2yr3 n ARG 36 Ca -0.17 -3.58 0.00 0.00 -1.00 0.00 0.00 57.85 53.11 2yr3 n ARG 36 Cb 0.52 0.93 0.00 0.00 -1.05 0.00 0.00 32.46 32.86 2yr3 n ARG 36 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2yr3 n GLY 37 N -0.90 4.22 2.83 2.89 0.00 -1.26 -2.77 105.19 110.21 2yr3 n GLY 37 Ca -0.20 -1.31 -0.23 0.00 0.00 0.00 0.00 46.02 44.28 2yr3 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yr3 s THR 38 N -1.35 0.57 0.97 2.61 2.01 -0.63 -2.76 115.64 117.05 2yr3 s THR 38 Ca 0.00 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.85 2yr3 s THR 38 Cb 0.00 -0.66 0.17 0.00 0.01 0.00 0.00 72.50 72.02 2yr3 s THR 38 CO 0.00 0.28 1.09 -2.16 -0.69 0.00 0.00 174.62 173.14 2yr3 s PRO 39 N 1.65 0.67 -0.20 4.92 0.04 -1.26 -0.13 135.00 140.69 2yr3 s PRO 39 Ca 0.01 0.60 -0.38 0.00 0.04 0.00 0.00 61.00 61.27 2yr3 s PRO 39 Cb -0.13 -1.76 -0.14 0.00 0.04 0.00 0.00 34.50 32.51 2yr3 s PRO 39 CO -0.04 -2.59 1.78 0.28 0.04 0.00 0.00 177.00 176.46 2yr3 n VAL 40 N -4.09 0.39 -2.04 -0.36 0.31 -1.11 -4.86 118.33 106.56 2yr3 n VAL 40 Ca 0.06 -0.07 -0.34 0.00 -0.01 0.00 0.00 64.34 63.98 2yr3 n VAL 40 Cb 0.57 -1.43 0.02 0.00 -0.91 0.00 0.00 33.84 32.08 2yr3 n VAL 40 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2yr3 s PRO 41 N 3.60 3.11 0.46 5.55 0.04 -1.26 -4.95 135.00 141.55 2yr3 s PRO 41 Ca 0.96 1.51 -0.23 0.00 0.04 0.00 0.00 61.00 63.28 2yr3 s PRO 41 Cb -0.94 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 31.55 2yr3 s PRO 41 CO 0.60 -1.02 1.17 1.03 0.04 0.00 0.00 177.00 178.82 2yr3 s ARG 42 N -3.64 3.77 -0.29 4.56 3.00 -1.15 -4.83 118.95 120.37 2yr3 s ARG 42 Ca 0.70 1.79 -0.07 0.00 0.00 0.00 0.00 55.73 58.15 2yr3 s ARG 42 Cb -0.22 -2.43 0.01 0.00 0.00 0.00 0.00 34.95 32.31 2yr3 s ARG 42 CO 0.33 -0.54 0.07 0.42 0.00 0.00 0.00 175.30 175.58 2yr3 s ILE 43 N -1.53 3.92 -0.08 1.52 -1.09 -1.26 -3.93 121.20 118.76 2yr3 s ILE 43 Ca 0.63 -0.67 -0.02 0.00 -2.23 0.00 0.00 60.65 58.36 2yr3 s ILE 43 Cb -0.29 -3.01 0.03 0.00 -1.58 0.00 0.00 42.46 37.62 2yr3 s ILE 43 CO 0.35 0.11 0.03 -0.89 -1.23 0.00 0.00 174.94 173.31 2yr3 s THR 44 N 1.50 0.23 -0.04 2.92 2.01 -1.08 -5.01 115.64 116.16 2yr3 s THR 44 Ca 0.03 0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 2yr3 s THR 44 Cb -0.17 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 2yr3 s THR 44 CO 0.02 0.17 0.19 0.26 -0.69 0.00 0.00 174.62 174.57 2yr3 s TRP 45 N 2.03 3.57 0.01 4.92 0.52 -1.26 -1.57 118.94 127.16 2yr3 s TRP 45 Ca 0.04 0.46 -0.02 0.00 0.02 0.00 0.00 56.10 56.60 2yr3 s TRP 45 Cb -0.13 -1.90 -0.01 0.00 -1.15 0.00 0.00 33.47 30.28 2yr3 s TRP 45 CO -0.05 0.67 0.02 -0.51 0.02 0.00 0.00 176.95 177.10 2yr3 s LEU 46 N -1.62 2.04 -0.79 2.99 1.02 -1.06 -0.72 118.68 120.55 2yr3 s LEU 46 Ca 0.24 -0.39 -0.15 0.00 0.02 0.00 0.00 54.13 53.85 2yr3 s LEU 46 Cb -0.13 0.25 0.20 0.00 0.02 0.00 0.00 46.19 46.53 2yr3 s LEU 46 CO 0.14 -0.30 0.75 -0.22 0.02 0.00 0.00 176.35 176.74 2yr3 s LEU 47 N -1.34 6.52 -1.26 1.79 2.96 -0.92 -1.69 118.68 124.74 2yr3 s LEU 47 Ca -0.15 -2.48 -0.09 0.00 -0.22 0.00 0.00 54.13 51.20 2yr3 s LEU 47 Cb -0.09 -2.23 0.09 0.00 0.50 0.00 0.00 46.19 44.46 2yr3 s LEU 47 CO -0.00 -0.67 0.22 -0.46 -1.32 0.00 0.00 176.35 174.12 2yr3 n ASN 48 N 4.41 -0.32 0.00 3.68 0.23 -0.76 -4.23 115.26 118.27 2yr3 n ASN 48 Ca 0.10 -0.92 0.00 0.00 -0.53 0.00 0.00 54.58 53.22 2yr3 n ASN 48 Cb 0.46 -1.17 0.00 0.00 -2.08 0.00 0.00 39.78 36.99 2yr3 n ASN 48 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2yr3 n GLY 49 N -1.53 -0.98 3.91 4.83 0.00 -1.26 -5.07 105.19 105.10 2yr3 n GLY 49 Ca -0.08 0.56 -0.27 0.00 0.00 0.00 0.00 46.02 46.23 2yr3 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yr3 s GLN 50 N 0.00 3.47 0.19 1.61 -1.52 -1.26 -4.95 119.66 117.20 2yr3 s GLN 50 Ca 0.00 0.08 -0.30 0.00 -1.95 0.00 0.00 55.36 53.19 2yr3 s GLN 50 Cb 0.00 -2.42 -0.09 0.00 -0.22 0.00 0.00 33.01 30.29 2yr3 s GLN 50 CO 0.00 -0.19 1.31 -1.25 -0.25 0.00 0.00 175.29 174.91 2yr3 s PRO 51 N -4.69 4.38 -0.04 2.91 0.04 -1.26 -2.17 135.00 134.17 2yr3 s PRO 51 Ca 0.47 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 2yr3 s PRO 51 Cb -0.10 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 2yr3 s PRO 51 CO 0.43 -0.27 1.67 0.42 0.04 0.00 0.00 177.00 179.30 2yr3 s ILE 52 N 0.24 3.53 -0.02 0.56 1.01 0.11 -4.90 121.20 121.72 2yr3 s ILE 52 Ca 0.57 0.66 -0.22 0.00 0.00 0.00 0.00 60.65 61.66 2yr3 s ILE 52 Cb -0.36 -3.42 -0.24 0.00 0.01 0.00 0.00 42.46 38.44 2yr3 s ILE 52 CO 0.37 -0.06 1.06 0.06 0.00 0.00 0.00 174.94 176.37 2yr3 h GLN 53 N 9.56 0.32 -1.96 2.79 3.07 -1.92 -3.29 115.11 123.67 2yr3 h GLN 53 Ca -0.40 -0.35 -0.18 0.00 0.09 0.00 0.00 58.65 57.81 2yr3 h GLN 53 Cb 1.18 0.10 -0.07 0.00 0.08 0.00 0.00 27.48 28.78 2yr3 h GLN 53 CO 0.95 1.05 -0.10 2.48 0.09 0.00 0.00 178.83 183.30 2yr3 n TYR 54 N -4.32 0.33 -3.69 0.06 4.11 -1.26 -4.80 117.16 107.60 2yr3 n TYR 54 Ca -0.10 -1.44 -0.39 0.00 -0.00 0.00 0.00 57.90 55.97 2yr3 n TYR 54 Cb 0.62 -1.17 -0.11 0.00 -0.00 0.00 0.00 39.34 38.68 2yr3 n TYR 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2yr3 s ALA 55 N 0.10 3.18 -0.13 -3.48 0.00 -1.24 -4.96 121.76 115.22 2yr3 s ALA 55 Ca 0.42 -2.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.26 2yr3 s ALA 55 Cb 0.22 -2.47 0.08 0.00 0.00 0.00 0.00 23.12 20.94 2yr3 s ALA 55 CO -0.03 -1.59 2.07 0.54 0.00 0.00 0.00 175.76 176.76 2yr3 n ARG 56 N 4.81 1.37 -1.79 0.00 1.74 -1.26 -4.94 116.66 116.59 2yr3 n ARG 56 Ca -0.09 -0.69 -0.39 0.00 -0.77 0.00 0.00 57.85 55.91 2yr3 n ARG 56 Cb 0.43 -1.29 0.03 0.00 -1.02 0.00 0.00 32.46 30.60 2yr3 n ARG 56 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2yr3 s SER 57 N 1.26 5.63 -0.11 0.55 1.04 -1.26 -4.54 113.70 116.27 2yr3 s SER 57 Ca 0.15 2.85 -0.04 0.00 0.48 0.00 0.00 55.95 59.40 2yr3 s SER 57 Cb 0.11 -2.65 0.06 0.00 0.10 0.00 0.00 66.02 63.64 2yr3 s SER 57 CO -0.01 -1.34 0.18 0.42 0.98 0.00 0.00 173.24 173.47 2yr3 s THR 58 N -1.24 -0.28 -0.38 2.02 -4.23 -0.46 -4.98 115.64 106.09 2yr3 s THR 58 Ca 0.65 0.25 -0.19 0.00 -1.18 0.00 0.00 61.69 61.23 2yr3 s THR 58 Cb -0.42 -0.38 0.01 0.00 1.34 0.00 0.00 72.50 73.04 2yr3 s THR 58 CO 0.53 0.07 0.54 0.00 -0.54 0.00 0.00 174.62 175.21 2yr3 s GLU 60 N 2.46 2.65 -1.40 0.00 2.02 -0.68 -4.55 118.70 119.21 2yr3 s GLU 60 Ca 0.19 -1.29 -0.08 0.00 0.02 0.00 0.00 54.97 53.81 2yr3 s GLU 60 Cb -0.15 -3.67 0.01 0.00 0.10 0.00 0.00 34.13 30.42 2yr3 s GLU 60 CO 0.15 -0.81 1.09 0.00 0.02 0.00 0.00 175.26 175.71 2yr3 n ALA 61 N 4.90 -1.25 -0.56 5.21 0.00 -1.26 -1.34 120.51 126.20 2yr3 n ALA 61 Ca -0.11 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2yr3 n ALA 61 Cb 0.44 -5.27 0.00 0.00 0.00 0.00 0.00 19.45 14.62 2yr3 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yr3 n GLY 62 N -1.94 0.88 3.42 0.00 0.00 -1.26 -4.99 105.19 101.30 2yr3 n GLY 62 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 2yr3 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yr3 s VAL 63 N -3.17 4.95 -0.07 1.61 1.01 -0.45 -1.87 120.40 122.41 2yr3 s VAL 63 Ca 0.00 -1.86 -0.30 0.00 0.00 0.00 0.00 61.98 59.82 2yr3 s VAL 63 Cb 0.00 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.62 2yr3 s VAL 63 CO 0.00 -1.41 1.33 0.00 0.00 0.00 0.00 175.10 175.02 2yr3 s ALA 64 N 2.02 3.58 0.01 5.51 0.00 -1.17 -1.68 121.76 130.03 2yr3 s ALA 64 Ca 0.30 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.98 2yr3 s ALA 64 Cb -0.06 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 2yr3 s ALA 64 CO -0.09 -0.99 -0.09 -1.21 0.00 0.00 0.00 175.76 173.38 2yr3 s GLU 65 N 2.82 0.67 -0.38 0.00 2.02 -1.15 -2.04 118.70 120.63 2yr3 s GLU 65 Ca 0.60 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 55.17 2yr3 s GLU 65 Cb -0.27 -0.62 0.11 0.00 0.10 0.00 0.00 34.13 33.46 2yr3 s GLU 65 CO 0.22 0.16 0.13 -1.17 0.02 0.00 0.00 175.26 174.62 2yr3 s LEU 66 N -0.60 3.88 -0.06 1.80 2.96 -0.93 -1.35 118.68 124.38 2yr3 s LEU 66 Ca 0.01 -2.29 -0.30 0.00 -0.22 0.00 0.00 54.13 51.32 2yr3 s LEU 66 Cb -0.05 -1.40 -0.05 0.00 0.50 0.00 0.00 46.19 45.19 2yr3 s LEU 66 CO 0.00 -0.34 1.57 -1.00 -1.32 0.00 0.00 176.35 175.26 2yr3 s HIS 67 N 0.72 2.22 -0.40 5.38 3.76 -1.26 -2.90 115.29 122.81 2yr3 s HIS 67 Ca 0.13 0.38 0.03 0.00 -0.15 0.00 0.00 55.06 55.45 2yr3 s HIS 67 Cb -0.21 -3.83 0.11 0.00 1.11 0.00 0.00 32.58 29.76 2yr3 s HIS 67 CO -0.09 -3.39 0.15 0.42 -0.85 0.00 0.00 174.74 170.98 2yr3 s ILE 68 N 3.70 1.91 0.54 0.60 -1.09 -0.71 -4.60 121.20 121.55 2yr3 s ILE 68 Ca 0.70 -2.46 -0.05 0.00 -2.23 0.00 0.00 60.65 56.61 2yr3 s ILE 68 Cb -0.32 -2.38 -0.01 0.00 -1.58 0.00 0.00 42.46 38.18 2yr3 s ILE 68 CO 0.27 -0.72 0.83 0.00 -1.23 0.00 0.00 174.94 174.09 2yr3 s GLN 69 N 0.62 3.13 -1.38 2.79 -2.07 -1.26 -1.51 119.66 119.98 2yr3 s GLN 69 Ca 0.14 -0.02 -0.00 0.00 -1.82 0.00 0.00 55.36 53.65 2yr3 s GLN 69 Cb -0.22 -2.35 0.00 0.00 -1.09 0.00 0.00 33.01 29.36 2yr3 s GLN 69 CO -0.08 -0.48 0.49 -0.25 -1.32 0.00 0.00 175.29 173.65 2yr3 n ASP 70 N -2.41 -0.51 -4.52 12.60 9.92 -1.19 -4.72 116.55 125.73 2yr3 n ASP 70 Ca 0.03 -0.96 -0.39 0.00 -0.53 0.00 0.00 54.79 52.94 2yr3 n ASP 70 Cb 0.57 -3.32 -0.08 0.00 -0.64 0.00 0.00 41.12 37.65 2yr3 n ASP 70 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yr3 n ALA 71 N -4.37 0.62 -2.33 2.24 0.00 -0.16 -4.83 120.51 111.69 2yr3 n ALA 71 Ca -0.31 -0.60 -0.30 0.00 0.00 0.00 0.00 53.44 52.23 2yr3 n ALA 71 Cb 0.69 -2.78 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 2yr3 n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yr3 s LEU 72 N 10.52 3.95 0.00 0.00 1.43 -1.26 -3.47 118.68 129.85 2yr3 s LEU 72 Ca 1.14 0.95 0.14 0.00 -1.03 0.00 0.00 54.13 55.34 2yr3 s LEU 72 Cb -0.66 -3.80 0.68 0.00 0.03 0.00 0.00 46.19 42.43 2yr3 s LEU 72 CO 0.37 -0.29 1.43 -0.81 0.23 0.00 0.00 176.35 177.28 2yr3 n PRO 73 N -1.07 0.11 -0.20 1.29 -0.04 -1.26 -1.89 135.00 131.94 2yr3 n PRO 73 Ca 0.01 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 2yr3 n PRO 73 Cb 0.54 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.71 2yr3 n PRO 73 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2yr3 n GLU 74 N -1.39 2.46 -0.07 0.54 0.28 -1.26 -4.26 120.64 116.93 2yr3 n GLU 74 Ca 0.05 -2.26 -0.07 0.00 -0.16 0.00 0.00 57.16 54.72 2yr3 n GLU 74 Cb 0.14 -1.48 -0.12 0.00 1.43 0.00 0.00 31.44 31.41 2yr3 n GLU 74 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2yr3 n ASP 75 N 1.38 1.25 -4.49 -1.84 8.00 -0.79 -5.01 116.55 115.05 2yr3 n ASP 75 Ca 0.19 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.23 2yr3 n ASP 75 Cb 0.58 0.88 -0.02 0.00 -0.02 0.00 0.00 41.12 42.54 2yr3 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yr3 n HIS 76 N -2.56 0.30 0.00 1.24 1.44 -1.23 -4.84 115.22 109.57 2yr3 n HIS 76 Ca -0.25 0.79 0.00 0.00 -2.01 0.00 0.00 57.72 56.26 2yr3 n HIS 76 Cb 0.99 -2.10 0.00 0.00 0.12 0.00 0.00 29.99 29.01 2yr3 n HIS 76 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2yr3 n GLY 77 N 1.61 -0.82 2.79 -1.39 0.00 -1.24 -5.06 105.19 101.08 2yr3 n GLY 77 Ca 0.13 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2yr3 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yr3 s THR 78 N -2.48 1.01 0.18 2.61 2.01 -1.26 -2.33 115.64 115.38 2yr3 s THR 78 Ca 0.00 -1.22 -0.30 0.00 0.31 0.00 0.00 61.69 60.48 2yr3 s THR 78 Cb 0.00 -1.60 -0.08 0.00 0.01 0.00 0.00 72.50 70.83 2yr3 s THR 78 CO 0.00 -0.45 1.06 -0.31 -0.69 0.00 0.00 174.62 174.23 2yr3 s TYR 79 N 1.59 3.68 -0.23 4.92 2.02 -0.96 -1.83 117.35 126.53 2yr3 s TYR 79 Ca 0.04 1.68 0.01 0.00 -0.37 0.00 0.00 57.07 58.44 2yr3 s TYR 79 Cb -0.18 -3.20 0.06 0.00 -0.40 0.00 0.00 41.96 38.24 2yr3 s TYR 79 CO -0.16 -0.33 -0.07 0.99 -1.57 0.00 0.00 175.55 174.40 2yr3 s THR 80 N -0.37 1.68 -0.58 -0.71 2.01 -0.68 -1.31 115.64 115.67 2yr3 s THR 80 Ca 0.48 -1.27 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 2yr3 s THR 80 Cb -0.28 -1.88 0.07 0.00 0.01 0.00 0.00 72.50 70.41 2yr3 s THR 80 CO 0.34 -0.03 0.84 0.00 -0.69 0.00 0.00 174.62 175.07 2yr3 s LEU 82 N 3.47 4.45 -0.21 0.00 2.96 -0.61 -2.60 118.68 126.14 2yr3 s LEU 82 Ca 0.21 1.12 -0.04 0.00 -0.22 0.00 0.00 54.13 55.20 2yr3 s LEU 82 Cb -0.18 -2.83 0.09 0.00 0.50 0.00 0.00 46.19 43.78 2yr3 s LEU 82 CO 0.12 0.19 0.22 0.00 -1.32 0.00 0.00 176.35 175.56 2yr3 s ALA 83 N -0.56 -0.23 0.02 5.97 0.00 0.21 -2.65 121.76 124.53 2yr3 s ALA 83 Ca 0.28 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.44 2yr3 s ALA 83 Cb -0.18 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 2yr3 s ALA 83 CO 0.16 -1.24 -0.09 -1.83 0.00 0.00 0.00 175.76 172.77 2yr3 s GLU 84 N 2.31 0.61 0.21 0.00 -1.05 -1.26 -0.72 118.70 118.81 2yr3 s GLU 84 Ca 0.07 -0.52 0.01 0.00 -0.15 0.00 0.00 54.97 54.38 2yr3 s GLU 84 Cb -0.16 -0.53 -0.01 0.00 -0.44 0.00 0.00 34.13 33.00 2yr3 s GLU 84 CO -0.13 0.13 0.05 0.27 0.95 0.00 0.00 175.26 176.53 2yr3 n ASN 85 N 2.22 1.48 0.00 0.83 0.23 -0.55 -2.94 115.26 116.52 2yr3 n ASN 85 Ca -0.17 -2.05 0.06 0.00 -0.53 0.00 0.00 54.58 51.89 2yr3 n ASN 85 Cb 0.56 0.42 0.33 0.00 -2.08 0.00 0.00 39.78 39.00 2yr3 n ASN 85 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yr3 n ALA 86 N -2.11 1.82 -0.63 -2.53 0.00 -1.26 -3.86 120.51 111.95 2yr3 n ALA 86 Ca -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2yr3 n ALA 86 Cb 0.30 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2yr3 n ALA 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yr3 n LEU 87 N -1.14 0.00 0.00 0.00 4.32 -1.26 -5.12 117.00 113.80 2yr3 n LEU 87 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 2yr3 n LEU 87 Cb 0.07 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 2yr3 n LEU 87 CO 0.08 -0.19 0.00 0.61 -1.22 0.00 0.00 177.39 176.67 2yr3 n GLY 88 N 2.55 7.50 3.63 -0.72 0.00 -1.25 -5.01 105.19 111.89 2yr3 n GLY 88 Ca 0.00 -1.98 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 2yr3 n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2yr3 s GLN 89 N 1.09 0.78 0.00 1.61 -2.07 -1.26 -1.48 119.66 118.33 2yr3 s GLN 89 Ca 0.00 1.03 -0.06 0.00 -1.82 0.00 0.00 55.36 54.51 2yr3 s GLN 89 Cb 0.00 0.33 -0.00 0.00 -1.09 0.00 0.00 33.01 32.25 2yr3 s GLN 89 CO 0.00 -0.11 0.11 0.14 -1.32 0.00 0.00 175.29 174.11 2yr3 s VAL 90 N 0.70 0.08 -0.09 3.63 -7.23 0.10 -4.93 120.40 112.66 2yr3 s VAL 90 Ca -0.02 -0.70 -0.06 0.00 -1.81 0.00 0.00 61.98 59.39 2yr3 s VAL 90 Cb -0.05 -0.40 0.04 0.00 0.56 0.00 0.00 36.38 36.53 2yr3 s VAL 90 CO -0.05 -0.38 0.22 -0.94 -0.31 0.00 0.00 175.10 173.64 2yr3 s SER 91 N -1.34 -0.23 0.35 4.85 1.04 -1.26 -0.61 113.70 116.48 2yr3 s SER 91 Ca -0.14 0.46 0.09 0.00 0.48 0.00 0.00 55.95 56.84 2yr3 s SER 91 Cb -0.08 0.39 -0.07 0.00 0.10 0.00 0.00 66.02 66.37 2yr3 s SER 91 CO 0.01 -0.13 -0.09 0.00 0.98 0.00 0.00 173.24 174.01 2yr3 s SER 93 N -3.61 1.21 0.08 0.00 1.04 -1.26 -2.06 113.70 109.10 2yr3 s SER 93 Ca 0.33 -0.91 -0.14 0.00 0.48 0.00 0.00 55.95 55.71 2yr3 s SER 93 Cb 0.03 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.23 2yr3 s SER 93 CO 0.16 -0.38 0.32 0.00 0.98 0.00 0.00 173.24 174.32 2yr3 s ALA 94 N -3.08 -0.70 -0.12 5.32 0.00 -0.43 -4.82 121.76 117.94 2yr3 s ALA 94 Ca 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 2yr3 s ALA 94 Cb 0.01 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 2yr3 s ALA 94 CO -0.03 -0.51 -0.10 -0.46 0.00 0.00 0.00 175.76 174.67 2yr3 s TRP 95 N -3.19 2.87 0.01 0.00 -0.11 -1.26 -2.26 118.94 115.00 2yr3 s TRP 95 Ca -0.01 -0.38 0.05 0.00 1.22 0.00 0.00 56.10 56.98 2yr3 s TRP 95 Cb 0.01 -1.82 -0.02 0.00 -1.50 0.00 0.00 33.47 30.14 2yr3 s TRP 95 CO -0.07 -0.03 -0.17 0.08 -4.62 0.00 0.00 176.95 172.14 2yr3 s VAL 96 N 0.02 1.33 0.02 5.86 1.01 -0.98 -4.06 120.40 123.61 2yr3 s VAL 96 Ca -0.03 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.18 2yr3 s VAL 96 Cb -0.14 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 2yr3 s VAL 96 CO 0.04 0.28 -0.20 -0.89 0.00 0.00 0.00 175.10 174.33 2yr3 s THR 97 N -0.54 1.59 -0.26 3.92 2.01 -1.23 -3.65 115.64 117.48 2yr3 s THR 97 Ca 0.06 -1.05 0.03 0.00 0.31 0.00 0.00 61.69 61.04 2yr3 s THR 97 Cb -0.07 -1.36 0.06 0.00 0.01 0.00 0.00 72.50 71.14 2yr3 s THR 97 CO 0.00 0.29 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.42 2yr3 s VAL 98 N -0.67 2.12 -1.66 3.82 1.01 -1.26 -2.50 120.40 121.26 2yr3 s VAL 98 Ca 0.07 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.45 2yr3 s VAL 98 Cb -0.08 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2yr3 s VAL 98 CO 0.01 -0.03 0.41 1.41 0.00 0.00 0.00 175.10 176.90