#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 -2.95 -4.16 1.61 2.88 -1.26 -4.99 113.62 104.75 2yr3 n SER 2 Ca 0.00 -0.05 -0.39 0.00 -1.33 0.00 0.00 58.87 57.11 2yr3 n SER 2 Cb 0.00 -2.12 -0.06 0.00 -0.75 0.00 0.00 64.21 61.29 2yr3 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yr3 s SER 3 N -2.75 6.12 -0.08 -3.46 1.04 -1.26 -5.05 113.70 108.26 2yr3 s SER 3 Ca 0.04 -3.45 -0.01 0.00 0.48 0.00 0.00 55.95 53.02 2yr3 s SER 3 Cb -0.02 -1.97 -0.03 0.00 0.10 0.00 0.00 66.02 64.10 2yr3 s SER 3 CO 0.05 -0.27 -0.04 -0.83 0.98 0.00 0.00 173.24 173.14 2yr3 s GLY 4 N 0.44 1.76 0.67 7.32 0.00 -1.26 -5.08 107.32 111.18 2yr3 s GLY 4 Ca 0.25 -0.85 -0.18 0.00 0.00 0.00 0.00 44.72 43.95 2yr3 s GLY 4 CO -0.10 -0.58 -0.31 1.44 0.00 0.00 0.00 173.10 173.55 2yr3 n SER 5 N 2.28 -4.29 -4.30 1.64 7.64 -1.26 -4.87 113.62 110.46 2yr3 n SER 5 Ca -0.18 0.50 -0.46 0.00 1.01 0.00 0.00 58.87 59.74 2yr3 n SER 5 Cb 0.53 -0.84 -0.03 0.00 -1.01 0.00 0.00 64.21 62.86 2yr3 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yr3 s SER 6 N -1.02 6.49 -0.48 6.43 1.04 -1.26 -4.95 113.70 119.95 2yr3 s SER 6 Ca 0.52 -2.53 0.04 0.00 0.48 0.00 0.00 55.95 54.45 2yr3 s SER 6 Cb -0.39 -2.17 0.16 0.00 0.10 0.00 0.00 66.02 63.73 2yr3 s SER 6 CO 0.71 -0.60 0.36 -0.83 0.98 0.00 0.00 173.24 173.85 2yr3 s GLY 7 N 2.27 1.60 0.43 7.32 0.00 -1.26 -5.12 107.32 112.56 2yr3 s GLY 7 Ca 0.15 -2.73 -0.15 0.00 0.00 0.00 0.00 44.72 41.98 2yr3 s GLY 7 CO -0.06 1.84 0.86 -0.29 0.00 0.00 0.00 173.10 175.45 2yr3 s MET 8 N -0.19 3.96 0.29 2.90 -2.45 -1.26 -5.08 119.30 117.46 2yr3 s MET 8 Ca 0.29 0.77 0.06 0.00 -1.25 0.00 0.00 55.69 55.56 2yr3 s MET 8 Cb -0.02 -2.28 -0.02 0.00 1.25 0.00 0.00 34.83 33.76 2yr3 s MET 8 CO -0.16 -0.07 0.41 -1.21 1.05 0.00 0.00 175.02 175.04 2yr3 s GLU 9 N -3.63 3.28 0.27 4.11 2.02 -1.26 -5.03 118.70 118.46 2yr3 s GLU 9 Ca 0.56 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.68 2yr3 s GLU 9 Cb -0.10 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 2yr3 s GLU 9 CO 0.25 0.25 0.12 0.14 0.02 0.00 0.00 175.26 176.04 2yr3 s VAL 10 N -2.08 0.49 0.25 2.63 -7.23 -0.66 -4.97 120.40 108.82 2yr3 s VAL 10 Ca 0.39 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.51 2yr3 s VAL 10 Cb -0.09 -2.59 -0.06 0.00 0.56 0.00 0.00 36.38 34.20 2yr3 s VAL 10 CO 0.30 0.00 0.51 0.00 -0.31 0.00 0.00 175.10 175.60 2yr3 s ALA 11 N -3.70 3.66 0.30 1.32 0.00 -1.26 -2.71 121.76 119.36 2yr3 s ALA 11 Ca 0.37 -0.53 -0.29 0.00 0.00 0.00 0.00 51.96 51.51 2yr3 s ALA 11 Cb 0.07 -2.27 -0.10 0.00 0.00 0.00 0.00 23.12 20.82 2yr3 s ALA 11 CO 0.15 0.38 1.23 -1.25 0.00 0.00 0.00 175.76 176.28 2yr3 s PRO 12 N -3.24 4.46 0.14 0.00 0.04 -1.26 -4.22 135.00 130.92 2yr3 s PRO 12 Ca 0.44 2.06 -0.20 0.00 0.04 0.00 0.00 61.00 63.33 2yr3 s PRO 12 Cb -0.11 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.36 2yr3 s PRO 12 CO 0.27 -0.06 0.51 0.45 0.04 0.00 0.00 177.00 178.22 2yr3 s SER 13 N -0.52 -0.42 -0.38 6.66 0.15 0.09 -4.56 113.70 114.72 2yr3 s SER 13 Ca 0.48 -0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.98 2yr3 s SER 13 Cb -0.37 0.54 0.10 0.00 -1.71 0.00 0.00 66.02 64.58 2yr3 s SER 13 CO 0.47 -0.92 0.14 -0.36 1.20 0.00 0.00 173.24 173.77 2yr3 s PHE 14 N -3.76 3.54 0.09 3.44 0.08 -1.26 -0.64 117.98 119.47 2yr3 s PHE 14 Ca 0.02 -2.37 -0.01 0.00 0.12 0.00 0.00 56.93 54.68 2yr3 s PHE 14 Cb 0.00 -2.94 -0.25 0.00 -0.57 0.00 0.00 43.02 39.26 2yr3 s PHE 14 CO -0.13 -0.93 1.19 0.77 -0.10 0.00 0.00 175.22 176.02 2yr3 h SER 15 N 7.98 0.32 -1.80 1.36 0.02 -1.84 -3.35 113.55 116.24 2yr3 h SER 15 Ca -0.14 -0.34 -0.58 0.00 -0.84 0.00 0.00 61.79 59.90 2yr3 h SER 15 Cb 1.05 -0.10 -0.42 0.00 0.14 0.00 0.00 62.40 63.06 2yr3 h SER 15 CO 0.64 1.26 -0.73 -0.24 -1.14 0.00 0.00 176.83 176.61 2yr3 n SER 16 N -3.50 4.35 -4.04 3.07 2.88 -1.06 -4.99 113.62 110.33 2yr3 n SER 16 Ca -0.06 -3.64 -0.37 0.00 -1.33 0.00 0.00 58.87 53.47 2yr3 n SER 16 Cb 0.99 -0.51 0.05 0.00 -0.75 0.00 0.00 64.21 63.99 2yr3 n SER 16 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2yr3 n VAL 17 N -0.35 0.00 -1.79 2.46 0.24 -1.26 -2.92 118.33 114.71 2yr3 n VAL 17 Ca 0.34 -0.30 -0.31 0.00 -2.04 0.00 0.00 64.34 62.03 2yr3 n VAL 17 Cb 0.57 -0.07 0.03 0.00 -1.47 0.00 0.00 33.84 32.90 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 7.01 3.27 0.20 1.34 1.43 -1.26 -4.84 118.68 125.83 2yr3 s LEU 18 Ca 0.40 1.63 0.03 0.00 -1.03 0.00 0.00 54.13 55.16 2yr3 s LEU 18 Cb -0.08 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.59 2yr3 s LEU 18 CO 0.75 -1.23 0.00 -0.54 0.23 0.00 0.00 176.35 175.57 2yr3 s LYS 19 N -4.77 1.23 -0.08 1.70 3.01 -1.26 -4.86 119.74 114.70 2yr3 s LYS 19 Ca 0.59 -1.61 -0.33 0.00 -1.01 0.00 0.00 55.97 53.60 2yr3 s LYS 19 Cb -0.14 -0.43 -0.11 0.00 -1.01 0.00 0.00 37.83 36.15 2yr3 s LYS 19 CO 0.49 -0.12 1.92 -3.47 0.51 0.00 0.00 175.35 174.67 2yr3 n ASP 20 N -0.33 3.53 -4.48 2.83 -0.08 -1.26 -4.75 116.55 112.00 2yr3 n ASP 20 Ca -0.05 0.93 -0.29 0.00 -1.51 0.00 0.00 54.79 53.87 2yr3 n ASP 20 Cb 0.64 -1.40 -0.11 0.00 2.34 0.00 0.00 41.12 42.59 2yr3 n ASP 20 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2yr3 s ALA 22 N -1.23 1.22 0.10 0.00 0.00 -1.26 -2.46 121.76 118.12 2yr3 s ALA 22 Ca 0.19 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2yr3 s ALA 22 Cb -0.10 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2yr3 s ALA 22 CO 0.10 0.19 -0.03 0.54 0.00 0.00 0.00 175.76 176.57 2yr3 s VAL 23 N 0.22 0.43 0.09 0.00 0.11 -1.06 -5.04 120.40 115.14 2yr3 s VAL 23 Ca -0.06 -1.89 -0.09 0.00 -2.93 0.00 0.00 61.98 57.02 2yr3 s VAL 23 Cb -0.11 -1.74 -0.06 0.00 -1.53 0.00 0.00 36.38 32.94 2yr3 s VAL 23 CO 0.02 -0.80 0.38 -0.63 -3.33 0.00 0.00 175.10 170.74 2yr3 s ILE 24 N -3.80 5.13 -0.19 7.04 -1.09 -1.26 -0.25 121.20 126.77 2yr3 s ILE 24 Ca 0.14 0.35 -0.36 0.00 -2.23 0.00 0.00 60.65 58.54 2yr3 s ILE 24 Cb 0.07 -3.63 -0.12 0.00 -1.58 0.00 0.00 42.46 37.19 2yr3 s ILE 24 CO -0.04 0.24 1.92 1.21 -1.23 0.00 0.00 174.94 177.04 2yr3 n GLU 25 N 0.76 1.71 0.00 2.79 2.13 -1.19 -0.32 120.64 126.52 2yr3 n GLU 25 Ca -0.07 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.35 2yr3 n GLU 25 Cb 0.52 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.73 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 4.80 2.94 3.46 8.31 0.00 -0.62 -4.97 105.19 119.11 2yr3 n GLY 26 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 2yr3 n GLY 26 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yr3 s GLN 27 N -0.05 -1.70 0.12 1.61 -0.21 0.56 -3.66 119.66 116.33 2yr3 s GLN 27 Ca 0.00 0.29 0.07 0.00 0.02 0.00 0.00 55.36 55.74 2yr3 s GLN 27 Cb 0.00 -1.51 -0.04 0.00 1.00 0.00 0.00 33.01 32.46 2yr3 s GLN 27 CO 0.00 -4.10 -0.06 -0.51 -2.12 0.00 0.00 175.29 168.50 2yr3 s ASP 28 N -3.21 4.58 -0.22 5.90 1.01 -1.26 -0.80 116.67 122.67 2yr3 s ASP 28 Ca 0.69 -0.36 -0.15 0.00 0.71 0.00 0.00 52.55 53.43 2yr3 s ASP 28 Cb -0.16 -0.93 0.06 0.00 1.01 0.00 0.00 42.92 42.90 2yr3 s ASP 28 CO 0.59 0.16 0.57 0.72 0.21 0.00 0.00 175.17 177.41 2yr3 s PHE 29 N -1.36 -0.77 -0.24 4.23 -0.12 -0.95 -4.96 117.98 113.81 2yr3 s PHE 29 Ca 0.24 1.67 0.02 0.00 -0.05 0.00 0.00 56.93 58.80 2yr3 s PHE 29 Cb -0.11 0.37 0.06 0.00 -0.63 0.00 0.00 43.02 42.71 2yr3 s PHE 29 CO 0.16 -0.39 -0.09 0.54 -0.05 0.00 0.00 175.22 175.39 2yr3 s VAL 30 N 1.08 1.81 -0.46 -2.49 0.11 -1.26 -1.80 120.40 117.39 2yr3 s VAL 30 Ca -0.06 -1.34 -0.27 0.00 -2.93 0.00 0.00 61.98 57.37 2yr3 s VAL 30 Cb -0.06 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.79 2yr3 s VAL 30 CO -0.10 -0.01 1.91 -0.76 -3.33 0.00 0.00 175.10 172.81 2yr3 s LEU 31 N 1.28 3.40 -0.15 2.54 1.43 -1.07 -4.75 118.68 121.36 2yr3 s LEU 31 Ca -0.06 0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 53.89 2yr3 s LEU 31 Cb -0.19 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 2yr3 s LEU 31 CO -0.06 -2.13 0.04 -1.58 0.23 0.00 0.00 176.35 172.84 2yr3 s GLN 32 N 6.56 3.65 0.26 1.70 0.74 -1.26 -2.23 119.66 129.08 2yr3 s GLN 32 Ca 0.77 -0.37 0.03 0.00 0.05 0.00 0.00 55.36 55.85 2yr3 s GLN 32 Cb -0.18 -3.06 -0.01 0.00 1.10 0.00 0.00 33.01 30.85 2yr3 s GLN 32 CO 0.27 0.42 0.27 0.00 -0.55 0.00 0.00 175.29 175.70 2yr3 s SER 34 N -2.75 2.64 -0.17 0.00 0.15 -1.15 -3.23 113.70 109.19 2yr3 s SER 34 Ca 0.28 -0.57 0.01 0.00 0.70 0.00 0.00 55.95 56.37 2yr3 s SER 34 Cb 0.01 -0.85 0.02 0.00 -1.71 0.00 0.00 66.02 63.49 2yr3 s SER 34 CO 0.20 -0.18 -0.17 0.54 1.20 0.00 0.00 173.24 174.82 2yr3 s VAL 35 N 1.68 1.89 0.22 4.45 0.11 0.07 -2.27 120.40 126.55 2yr3 s VAL 35 Ca 0.02 -0.87 0.05 0.00 -2.93 0.00 0.00 61.98 58.24 2yr3 s VAL 35 Cb -0.15 -1.75 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 2yr3 s VAL 35 CO -0.08 0.48 0.32 -0.13 -3.33 0.00 0.00 175.10 172.36 2yr3 s ARG 36 N 1.35 3.36 0.00 1.54 0.52 0.18 -4.46 118.95 121.44 2yr3 s ARG 36 Ca 0.04 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 2yr3 s ARG 36 Cb -0.13 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.48 2yr3 s ARG 36 CO -0.12 0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.06 2yr3 n GLY 37 N -1.19 2.51 3.61 -3.53 0.00 -1.26 -0.73 105.19 104.60 2yr3 n GLY 37 Ca -0.08 -1.26 -0.03 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.00 -0.40 1.12 2.61 2.01 -1.10 -4.31 115.64 113.57 2yr3 s THR 38 Ca 0.00 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 2yr3 s THR 38 Cb 0.00 -1.00 0.25 0.00 0.01 0.00 0.00 72.50 71.76 2yr3 s THR 38 CO 0.00 0.00 1.10 -2.16 -0.69 0.00 0.00 174.62 172.87 2yr3 s PRO 39 N 2.12 -0.55 -0.17 4.92 0.04 -1.26 -1.66 135.00 138.44 2yr3 s PRO 39 Ca -0.08 0.18 -0.38 0.00 0.04 0.00 0.00 61.00 60.77 2yr3 s PRO 39 Cb -0.07 -1.65 -0.14 0.00 0.04 0.00 0.00 34.50 32.67 2yr3 s PRO 39 CO -0.18 -3.32 1.74 0.28 0.04 0.00 0.00 177.00 175.56 2yr3 n VAL 40 N -4.53 0.35 -1.75 -0.36 0.31 -1.26 -4.86 118.33 106.24 2yr3 n VAL 40 Ca 0.09 -0.06 -0.33 0.00 -0.01 0.00 0.00 64.34 64.03 2yr3 n VAL 40 Cb 0.59 -1.40 0.05 0.00 -0.91 0.00 0.00 33.84 32.16 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 3.30 2.79 -0.09 5.55 0.04 -1.26 -4.91 135.00 140.42 2yr3 s PRO 41 Ca 0.94 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 2yr3 s PRO 41 Cb -0.92 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 2yr3 s PRO 41 CO 0.58 -1.26 1.50 1.03 0.04 0.00 0.00 177.00 178.89 2yr3 s ARG 42 N -4.10 4.21 -0.46 4.56 3.00 -1.04 -4.79 118.95 120.32 2yr3 s ARG 42 Ca 0.67 1.99 -0.20 0.00 0.00 0.00 0.00 55.73 58.19 2yr3 s ARG 42 Cb -0.20 -3.88 0.03 0.00 0.00 0.00 0.00 34.95 30.90 2yr3 s ARG 42 CO 0.42 -0.78 0.61 0.42 0.00 0.00 0.00 175.30 175.97 2yr3 s ILE 43 N 3.72 4.87 -0.11 1.52 -1.09 -1.26 -3.54 121.20 125.32 2yr3 s ILE 43 Ca 0.66 -0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.92 2yr3 s ILE 43 Cb -0.29 -4.22 0.03 0.00 -1.58 0.00 0.00 42.46 36.40 2yr3 s ILE 43 CO 0.24 -0.65 -0.03 -0.89 -1.23 0.00 0.00 174.94 172.37 2yr3 s THR 44 N 2.69 0.74 -0.19 2.92 2.01 -1.08 -4.99 115.64 117.73 2yr3 s THR 44 Ca 0.19 -0.20 -0.15 0.00 0.31 0.00 0.00 61.69 61.83 2yr3 s THR 44 Cb -0.16 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 2yr3 s THR 44 CO 0.16 0.24 0.37 0.26 -0.69 0.00 0.00 174.62 174.95 2yr3 s TRP 45 N 1.81 3.40 -0.15 4.92 0.52 -1.26 -1.61 118.94 126.57 2yr3 s TRP 45 Ca 0.04 0.61 0.01 0.00 0.02 0.00 0.00 56.10 56.78 2yr3 s TRP 45 Cb -0.13 -2.47 0.00 0.00 -1.15 0.00 0.00 33.47 29.72 2yr3 s TRP 45 CO -0.07 0.06 -0.18 -0.51 0.02 0.00 0.00 176.95 176.27 2yr3 s LEU 46 N 1.08 2.31 0.06 2.99 1.02 -0.69 -1.90 118.68 123.55 2yr3 s LEU 46 Ca 0.18 -0.54 0.10 0.00 0.02 0.00 0.00 54.13 53.89 2yr3 s LEU 46 Cb -0.14 -1.51 -0.03 0.00 0.02 0.00 0.00 46.19 44.52 2yr3 s LEU 46 CO 0.07 0.07 -0.26 -0.22 0.02 0.00 0.00 176.35 176.03 2yr3 s LEU 47 N 0.88 2.22 -1.50 1.79 2.96 0.29 -1.57 118.68 123.75 2yr3 s LEU 47 Ca -0.05 -0.62 -0.13 0.00 -0.22 0.00 0.00 54.13 53.12 2yr3 s LEU 47 Cb -0.15 -1.28 0.07 0.00 0.50 0.00 0.00 46.19 45.33 2yr3 s LEU 47 CO -0.02 0.24 1.01 0.59 -1.32 0.00 0.00 176.35 176.85 2yr3 n ASN 48 N 1.58 -4.91 -0.94 3.68 5.03 -1.25 -0.21 115.26 118.23 2yr3 n ASN 48 Ca -0.17 -0.75 -0.12 0.00 0.87 0.00 0.00 54.58 54.41 2yr3 n ASN 48 Cb 0.52 -4.05 -0.05 0.00 -1.02 0.00 0.00 39.78 35.18 2yr3 n ASN 48 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2yr3 n GLY 49 N -1.73 1.25 2.94 7.41 0.00 -1.26 -4.96 105.19 108.83 2yr3 n GLY 49 Ca 0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 2yr3 n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2yr3 s GLN 50 N -2.93 0.18 0.26 1.61 -2.07 0.70 -5.14 119.66 112.27 2yr3 s GLN 50 Ca 0.00 -0.31 -0.30 0.00 -1.82 0.00 0.00 55.36 52.94 2yr3 s GLN 50 Cb 0.00 0.07 -0.09 0.00 -1.09 0.00 0.00 33.01 31.89 2yr3 s GLN 50 CO 0.00 -0.03 1.26 -1.25 -1.32 0.00 0.00 175.29 173.95 2yr3 s PRO 51 N -0.77 4.43 -0.09 9.60 0.04 -1.26 0.11 135.00 147.06 2yr3 s PRO 51 Ca -0.09 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.74 2yr3 s PRO 51 Cb -0.05 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 2yr3 s PRO 51 CO -0.00 -0.13 0.86 0.42 0.04 0.00 0.00 177.00 178.19 2yr3 s ILE 52 N -0.57 4.91 -0.04 0.56 1.01 -0.80 -4.83 121.20 121.44 2yr3 s ILE 52 Ca 0.51 1.76 0.05 0.00 0.00 0.00 0.00 60.65 62.98 2yr3 s ILE 52 Cb -0.36 -4.19 -0.24 0.00 0.01 0.00 0.00 42.46 37.67 2yr3 s ILE 52 CO 0.44 0.12 0.69 -0.61 0.00 0.00 0.00 174.94 175.58 2yr3 h GLN 53 N 6.99 0.10 -0.98 2.79 5.75 -1.94 -3.35 115.11 124.48 2yr3 h GLN 53 Ca -0.36 -0.17 -0.61 0.00 -0.15 0.00 0.00 58.65 57.36 2yr3 h GLN 53 Cb 1.18 0.06 -0.30 0.00 1.07 0.00 0.00 27.48 29.49 2yr3 h GLN 53 CO 0.79 0.80 0.73 2.48 -2.65 0.00 0.00 178.83 180.98 2yr3 n TYR 54 N -3.24 3.12 -2.91 3.99 4.11 -1.26 -4.90 117.16 116.07 2yr3 n TYR 54 Ca -0.18 -2.60 -0.44 0.00 -0.00 0.00 0.00 57.90 54.68 2yr3 n TYR 54 Cb 1.04 -1.24 -0.03 0.00 -0.00 0.00 0.00 39.34 39.11 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 -3.64 3.26 -0.20 -3.48 0.00 -1.26 -4.91 121.76 111.53 2yr3 s ALA 55 Ca 0.61 -2.31 -0.06 0.00 0.00 0.00 0.00 51.96 50.21 2yr3 s ALA 55 Cb 0.49 -3.92 -0.22 0.00 0.00 0.00 0.00 23.12 19.48 2yr3 s ALA 55 CO 0.03 -2.83 3.19 0.54 0.00 0.00 0.00 175.76 176.69 2yr3 n ARG 56 N 7.04 1.97 -2.16 0.00 1.74 -1.26 -4.92 116.66 119.07 2yr3 n ARG 56 Ca 0.08 -1.03 -0.38 0.00 -0.77 0.00 0.00 57.85 55.75 2yr3 n ARG 56 Cb 0.47 -2.04 -0.00 0.00 -1.02 0.00 0.00 32.46 29.86 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 2.17 6.17 -0.19 0.55 1.04 -1.26 -4.37 113.70 117.81 2yr3 s SER 57 Ca 0.59 2.45 -0.01 0.00 0.48 0.00 0.00 55.95 59.47 2yr3 s SER 57 Cb 0.27 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.82 2yr3 s SER 57 CO -0.01 -0.93 -0.04 0.42 0.98 0.00 0.00 173.24 173.67 2yr3 s THR 58 N -1.42 1.11 -0.31 2.02 -4.23 0.79 -4.95 115.64 108.65 2yr3 s THR 58 Ca 0.62 -0.78 -0.09 0.00 -1.18 0.00 0.00 61.69 60.26 2yr3 s THR 58 Cb -0.33 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.14 2yr3 s THR 58 CO 0.40 -0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.62 2yr3 s GLU 60 N 1.57 1.25 -1.67 0.00 -1.05 -0.89 -4.79 118.70 113.11 2yr3 s GLU 60 Ca 0.04 -0.37 -0.18 0.00 -0.15 0.00 0.00 54.97 54.30 2yr3 s GLU 60 Cb -0.17 -1.12 0.16 0.00 -0.44 0.00 0.00 34.13 32.56 2yr3 s GLU 60 CO 0.05 0.12 0.75 0.00 0.95 0.00 0.00 175.26 177.13 2yr3 n ALA 61 N 3.39 -1.23 -2.04 -0.84 0.00 -1.26 0.71 120.51 119.24 2yr3 n ALA 61 Ca -0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.17 2yr3 n ALA 61 Cb 0.53 -3.37 -0.01 0.00 0.00 0.00 0.00 19.45 16.61 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 -1.33 0.17 2.92 0.00 0.00 -1.26 -4.96 105.19 100.72 2yr3 n GLY 62 Ca 0.08 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.31 2.34 -0.06 1.61 1.01 0.22 -0.75 120.40 122.46 2yr3 s VAL 63 Ca 0.00 -3.08 -0.30 0.00 0.00 0.00 0.00 61.98 58.60 2yr3 s VAL 63 Cb 0.00 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 2yr3 s VAL 63 CO 0.00 -0.79 1.07 0.00 0.00 0.00 0.00 175.10 175.38 2yr3 s ALA 64 N -0.05 3.38 0.04 5.51 0.00 -1.20 -2.09 121.76 127.36 2yr3 s ALA 64 Ca 0.16 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.66 2yr3 s ALA 64 Cb -0.25 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 2yr3 s ALA 64 CO -0.01 -0.56 -0.08 -1.21 0.00 0.00 0.00 175.76 173.90 2yr3 s GLU 65 N 1.78 0.56 -0.32 0.00 2.02 -0.66 -1.70 118.70 120.39 2yr3 s GLU 65 Ca 0.52 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 2yr3 s GLU 65 Cb -0.21 -0.39 0.10 0.00 0.10 0.00 0.00 34.13 33.73 2yr3 s GLU 65 CO 0.22 0.08 0.10 -1.17 0.02 0.00 0.00 175.26 174.51 2yr3 s LEU 66 N -1.44 2.26 -0.27 1.80 2.96 -0.95 -0.15 118.68 122.88 2yr3 s LEU 66 Ca -0.08 -1.69 -0.29 0.00 -0.22 0.00 0.00 54.13 51.86 2yr3 s LEU 66 Cb -0.09 -0.87 -0.00 0.00 0.50 0.00 0.00 46.19 45.73 2yr3 s LEU 66 CO 0.01 -0.41 1.33 -1.00 -1.32 0.00 0.00 176.35 174.96 2yr3 s HIS 67 N 1.56 2.64 -0.31 5.38 3.76 -1.26 -2.60 115.29 124.46 2yr3 s HIS 67 Ca 0.10 0.85 0.02 0.00 -0.15 0.00 0.00 55.06 55.88 2yr3 s HIS 67 Cb -0.18 -3.87 0.09 0.00 1.11 0.00 0.00 32.58 29.74 2yr3 s HIS 67 CO -0.24 -1.85 0.04 0.42 -0.85 0.00 0.00 174.74 172.27 2yr3 s ILE 68 N 4.36 1.63 0.59 0.60 -1.09 -0.75 -4.75 121.20 121.79 2yr3 s ILE 68 Ca 0.58 -1.78 -0.05 0.00 -2.23 0.00 0.00 60.65 57.17 2yr3 s ILE 68 Cb -0.18 -2.14 0.02 0.00 -1.58 0.00 0.00 42.46 38.57 2yr3 s ILE 68 CO 0.23 -0.52 0.89 0.00 -1.23 0.00 0.00 174.94 174.31 2yr3 s GLN 69 N 1.26 2.81 -1.29 2.79 -2.07 -1.26 -2.23 119.66 119.67 2yr3 s GLN 69 Ca 0.07 -0.12 -0.04 0.00 -1.82 0.00 0.00 55.36 53.45 2yr3 s GLN 69 Cb -0.18 -2.29 -0.01 0.00 -1.09 0.00 0.00 33.01 29.44 2yr3 s GLN 69 CO -0.14 -0.74 0.66 -3.47 -1.32 0.00 0.00 175.29 170.28 2yr3 n ASP 70 N -2.58 -1.95 -4.54 12.60 2.03 -1.20 -4.74 116.55 116.16 2yr3 n ASP 70 Ca 0.05 -0.89 -0.24 0.00 0.52 0.00 0.00 54.79 54.23 2yr3 n ASP 70 Cb 0.58 -3.76 -0.08 0.00 -0.72 0.00 0.00 41.12 37.13 2yr3 n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yr3 n ALA 71 N -4.23 0.57 -2.09 -1.67 0.00 0.02 -4.68 120.51 108.43 2yr3 n ALA 71 Ca -0.26 -1.10 -0.30 0.00 0.00 0.00 0.00 53.44 51.79 2yr3 n ALA 71 Cb 0.66 -3.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.02 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 11.81 3.64 0.00 0.00 1.43 -1.26 -1.59 118.68 132.71 2yr3 s LEU 72 Ca 1.03 1.21 0.15 0.00 -1.03 0.00 0.00 54.13 55.49 2yr3 s LEU 72 Cb -0.32 -4.15 0.69 0.00 0.03 0.00 0.00 46.19 42.43 2yr3 s LEU 72 CO 0.23 -0.56 1.43 -0.81 0.23 0.00 0.00 176.35 176.87 2yr3 n PRO 73 N -1.82 0.12 0.00 1.29 -0.04 -1.26 -1.93 135.00 131.35 2yr3 n PRO 73 Ca 0.03 0.19 0.10 0.00 -0.04 0.00 0.00 63.50 63.79 2yr3 n PRO 73 Cb 0.54 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.38 0.11 0.04 0.54 0.28 -1.26 -4.26 120.64 114.72 2yr3 n GLU 74 Ca 0.05 -0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.89 2yr3 n GLU 74 Cb 0.14 -1.51 -0.14 0.00 1.43 0.00 0.00 31.44 31.36 2yr3 n GLU 74 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2yr3 h ASP 75 N 0.00 0.26 -1.88 -1.84 1.82 -1.78 -3.47 116.42 109.54 2yr3 h ASP 75 Ca 0.00 -0.38 -0.64 0.00 -0.39 0.00 0.00 57.03 55.62 2yr3 h ASP 75 Cb 0.59 -0.08 0.10 0.00 0.68 0.00 0.00 39.33 40.62 2yr3 h ASP 75 CO 0.00 1.32 -0.08 0.00 -1.61 0.00 0.00 179.24 178.87 2yr3 n HIS 76 N -3.36 0.66 0.00 0.28 1.44 -1.23 -4.85 115.22 108.16 2yr3 n HIS 76 Ca -0.15 0.80 0.00 0.00 -2.01 0.00 0.00 57.72 56.36 2yr3 n HIS 76 Cb 1.03 -2.15 0.00 0.00 0.12 0.00 0.00 29.99 28.99 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 1.58 1.13 2.71 -1.39 0.00 -1.26 -4.99 105.19 102.98 2yr3 n GLY 77 Ca 0.13 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 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 1.51 0.94 0.37 2.61 2.01 -1.26 -3.81 115.64 118.01 2yr3 s THR 78 Ca 0.00 -1.66 -0.25 0.00 0.31 0.00 0.00 61.69 60.10 2yr3 s THR 78 Cb 0.00 -1.70 -0.09 0.00 0.01 0.00 0.00 72.50 70.72 2yr3 s THR 78 CO 0.00 -0.74 1.02 -0.31 -0.69 0.00 0.00 174.62 173.90 2yr3 s TYR 79 N 1.32 3.39 -0.13 4.92 1.51 -1.21 -3.94 117.35 123.21 2yr3 s TYR 79 Ca 0.12 1.68 -0.04 0.00 -1.01 0.00 0.00 57.07 57.82 2yr3 s TYR 79 Cb -0.19 -3.07 0.05 0.00 -0.11 0.00 0.00 41.96 38.64 2yr3 s TYR 79 CO -0.18 -0.39 0.10 0.99 -1.11 0.00 0.00 175.55 174.96 2yr3 s THR 80 N -1.65 -0.13 -0.68 -0.71 2.01 -0.61 -2.41 115.64 111.47 2yr3 s THR 80 Ca 0.55 0.03 -0.19 0.00 0.31 0.00 0.00 61.69 62.39 2yr3 s THR 80 Cb -0.21 -0.45 0.11 0.00 0.01 0.00 0.00 72.50 71.95 2yr3 s THR 80 CO 0.27 -0.13 0.83 0.00 -0.69 0.00 0.00 174.62 174.90 2yr3 s LEU 82 N 2.83 4.55 -0.18 0.00 2.96 -0.63 -2.82 118.68 125.40 2yr3 s LEU 82 Ca 0.18 1.65 -0.04 0.00 -0.22 0.00 0.00 54.13 55.70 2yr3 s LEU 82 Cb -0.19 -3.36 0.08 0.00 0.50 0.00 0.00 46.19 43.22 2yr3 s LEU 82 CO 0.04 0.12 0.17 0.00 -1.32 0.00 0.00 176.35 175.35 2yr3 s ALA 83 N -0.71 -0.04 -0.00 5.97 0.00 -0.22 -2.65 121.76 124.11 2yr3 s ALA 83 Ca 0.39 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2yr3 s ALA 83 Cb -0.23 -1.16 -0.00 0.00 0.00 0.00 0.00 23.12 21.73 2yr3 s ALA 83 CO 0.27 -1.10 -0.02 -1.83 0.00 0.00 0.00 175.76 173.07 2yr3 s GLU 84 N 2.26 0.19 0.11 0.00 -1.05 -1.25 -0.29 118.70 118.67 2yr3 s GLU 84 Ca 0.05 -0.08 0.01 0.00 -0.15 0.00 0.00 54.97 54.80 2yr3 s GLU 84 Cb -0.15 -0.20 -0.00 0.00 -0.44 0.00 0.00 34.13 33.34 2yr3 s GLU 84 CO -0.10 0.04 0.03 0.27 0.95 0.00 0.00 175.26 176.45 2yr3 n ASN 85 N 3.07 1.27 0.00 0.83 0.23 -0.14 -2.49 115.26 118.03 2yr3 n ASN 85 Ca -0.13 -1.54 0.07 0.00 -0.53 0.00 0.00 54.58 52.45 2yr3 n ASN 85 Cb 0.59 0.22 0.39 0.00 -2.08 0.00 0.00 39.78 38.90 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 -2.54 2.10 -0.55 -2.53 0.00 -1.26 -3.97 120.51 111.77 2yr3 n ALA 86 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2yr3 n ALA 86 Cb 0.15 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.89 0.00 0.00 0.00 4.32 -1.26 -5.11 117.00 114.06 2yr3 n LEU 87 Ca 0.10 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 56.02 2yr3 n LEU 87 Cb 0.05 -0.09 -0.02 0.00 -1.62 0.00 0.00 43.42 41.74 2yr3 n LEU 87 CO 0.07 -0.22 -0.05 0.61 -1.22 0.00 0.00 177.39 176.58 2yr3 n GLY 88 N 3.09 4.01 3.31 -0.72 0.00 -1.25 -5.01 105.19 108.61 2yr3 n GLY 88 Ca 0.00 -2.18 -0.11 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.42 0.45 0.06 1.61 -2.07 -1.26 -0.97 119.66 115.06 2yr3 s GLN 89 Ca 0.01 0.74 -0.02 0.00 -1.82 0.00 0.00 55.36 54.27 2yr3 s GLN 89 Cb 0.00 0.08 -0.04 0.00 -1.09 0.00 0.00 33.01 31.96 2yr3 s GLN 89 CO 0.01 -0.12 0.00 0.14 -1.32 0.00 0.00 175.29 174.00 2yr3 s VAL 90 N 0.98 0.20 -0.13 3.63 -7.23 0.61 -4.98 120.40 113.47 2yr3 s VAL 90 Ca -0.06 -1.76 -0.06 0.00 -1.81 0.00 0.00 61.98 58.29 2yr3 s VAL 90 Cb -0.06 -1.57 0.05 0.00 0.56 0.00 0.00 36.38 35.36 2yr3 s VAL 90 CO -0.08 -0.89 0.29 -0.94 -0.31 0.00 0.00 175.10 173.17 2yr3 s SER 91 N -2.93 -0.23 -0.07 4.85 1.04 -1.26 -1.05 113.70 114.04 2yr3 s SER 91 Ca 0.09 0.63 0.05 0.00 0.48 0.00 0.00 55.95 57.20 2yr3 s SER 91 Cb 0.08 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 2yr3 s SER 91 CO -0.08 -0.18 -0.21 0.00 0.98 0.00 0.00 173.24 173.74 2yr3 s SER 93 N -0.14 4.05 0.04 0.00 1.04 -1.26 -1.31 113.70 116.12 2yr3 s SER 93 Ca -0.03 -0.88 -0.17 0.00 0.48 0.00 0.00 55.95 55.35 2yr3 s SER 93 Cb -0.14 -0.55 0.03 0.00 0.10 0.00 0.00 66.02 65.46 2yr3 s SER 93 CO 0.04 -0.02 0.38 0.00 0.98 0.00 0.00 173.24 174.63 2yr3 s ALA 94 N -2.44 -0.92 -0.38 5.32 0.00 -1.01 -4.74 121.76 117.59 2yr3 s ALA 94 Ca 0.31 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.44 2yr3 s ALA 94 Cb -0.05 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.45 2yr3 s ALA 94 CO 0.18 -0.43 0.18 -0.46 0.00 0.00 0.00 175.76 175.22 2yr3 s TRP 95 N -2.42 3.31 -0.12 0.00 -0.11 -1.26 -3.34 118.94 115.00 2yr3 s TRP 95 Ca -0.06 -1.49 -0.06 0.00 1.22 0.00 0.00 56.10 55.71 2yr3 s TRP 95 Cb -0.01 -2.63 -0.04 0.00 -1.50 0.00 0.00 33.47 29.29 2yr3 s TRP 95 CO -0.02 -0.79 0.09 0.08 -4.62 0.00 0.00 176.95 171.70 2yr3 s VAL 96 N 1.41 5.11 -0.05 5.86 1.01 -1.25 -3.71 120.40 128.78 2yr3 s VAL 96 Ca 0.01 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.10 2yr3 s VAL 96 Cb -0.21 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 2yr3 s VAL 96 CO 0.02 0.59 -0.20 -0.89 0.00 0.00 0.00 175.10 174.62 2yr3 s THR 97 N -0.80 1.69 -0.25 3.92 2.01 -1.03 -3.99 115.64 117.19 2yr3 s THR 97 Ca 0.13 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 2yr3 s THR 97 Cb -0.12 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 70.97 2yr3 s THR 97 CO 0.03 0.48 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.70 2yr3 s VAL 98 N -0.01 3.01 -2.00 3.82 1.01 -1.26 -2.57 120.40 122.39 2yr3 s VAL 98 Ca -0.05 -0.99 0.18 0.00 0.00 0.00 0.00 61.98 61.12 2yr3 s VAL 98 Cb -0.13 -2.53 0.52 0.00 0.00 0.00 0.00 36.38 34.24 2yr3 s VAL 98 CO 0.03 0.18 1.49 1.41 0.00 0.00 0.00 175.10 178.21