#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yr3 s SER 2 N 0.00 7.19 -0.44 1.61 0.15 -1.26 -5.02 113.70 115.93 2yr3 s SER 2 Ca 0.00 1.45 0.04 0.00 0.70 0.00 0.00 55.95 58.14 2yr3 s SER 2 Cb 0.00 -2.52 0.12 0.00 -1.71 0.00 0.00 66.02 61.91 2yr3 s SER 2 CO 0.00 -0.32 0.18 -0.55 1.20 0.00 0.00 173.24 173.75 2yr3 s SER 3 N 1.03 4.43 0.00 5.45 0.15 -1.26 -5.01 113.70 118.49 2yr3 s SER 3 Ca 0.46 -2.63 0.00 0.00 0.70 0.00 0.00 55.95 54.48 2yr3 s SER 3 Cb -0.19 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2yr3 s SER 3 CO 0.20 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2yr3 n GLY 4 N 3.62 0.30 4.03 9.45 0.00 -1.26 -5.01 105.19 116.33 2yr3 n GLY 4 Ca 0.05 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 2yr3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yr3 n SER 5 N 0.00 -2.09 -4.81 1.61 7.64 -1.26 -4.90 113.62 109.80 2yr3 n SER 5 Ca 0.00 -0.83 -0.26 0.00 1.01 0.00 0.00 58.87 58.79 2yr3 n SER 5 Cb 0.00 -1.81 -0.05 0.00 -1.01 0.00 0.00 64.21 61.34 2yr3 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yr3 s SER 6 N -2.99 5.59 0.00 6.43 0.15 -1.26 -5.12 113.70 116.50 2yr3 s SER 6 Ca 0.64 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2yr3 s SER 6 Cb -0.37 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 2yr3 s SER 6 CO 0.79 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.89 2yr3 n GLY 7 N -0.48 0.66 3.07 9.45 0.00 -1.26 -5.12 105.19 111.50 2yr3 n GLY 7 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 2.03 0.33 1.14 1.61 0.00 -1.26 -5.16 119.30 117.99 2yr3 s MET 8 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 55.69 55.45 2yr3 s MET 8 Cb 0.00 0.14 0.25 0.00 0.00 0.00 0.00 34.83 35.22 2yr3 s MET 8 CO 0.00 -0.07 0.55 0.39 0.00 0.00 0.00 175.02 175.89 2yr3 n GLU 9 N 2.24 -3.16 -3.96 3.16 4.71 -1.26 -5.05 120.64 117.32 2yr3 n GLU 9 Ca -0.17 -0.94 -0.09 0.00 -0.01 0.00 0.00 57.16 55.95 2yr3 n GLU 9 Cb 0.57 -1.60 -0.10 0.00 -1.01 0.00 0.00 31.44 29.30 2yr3 n GLU 9 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2yr3 s VAL 10 N -2.08 0.13 0.43 2.62 1.01 0.03 -4.94 120.40 117.60 2yr3 s VAL 10 Ca 0.44 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2yr3 s VAL 10 Cb -0.08 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2yr3 s VAL 10 CO 0.37 -0.58 0.70 0.00 0.00 0.00 0.00 175.10 175.59 2yr3 s ALA 11 N -2.09 3.51 0.18 5.51 0.00 -1.26 -2.75 121.76 124.86 2yr3 s ALA 11 Ca -0.10 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 2yr3 s ALA 11 Cb -0.05 -2.41 -0.08 0.00 0.00 0.00 0.00 23.12 20.58 2yr3 s ALA 11 CO -0.03 -0.22 1.32 -1.25 0.00 0.00 0.00 175.76 175.58 2yr3 s PRO 12 N -4.56 4.38 -0.24 0.00 0.04 -1.26 -4.44 135.00 128.92 2yr3 s PRO 12 Ca 0.45 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.30 2yr3 s PRO 12 Cb -0.10 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.29 2yr3 s PRO 12 CO 0.41 -0.28 0.65 -1.54 0.04 0.00 0.00 177.00 176.28 2yr3 s SER 13 N 0.49 -0.68 -0.41 6.66 1.04 -1.03 -4.56 113.70 115.21 2yr3 s SER 13 Ca 0.58 1.30 -0.19 0.00 0.48 0.00 0.00 55.95 58.12 2yr3 s SER 13 Cb -0.36 1.31 0.02 0.00 0.10 0.00 0.00 66.02 67.08 2yr3 s SER 13 CO 0.37 -0.24 0.52 -0.36 0.98 0.00 0.00 173.24 174.51 2yr3 s PHE 14 N 0.30 3.14 0.11 5.02 0.08 -1.26 -1.97 117.98 123.40 2yr3 s PHE 14 Ca -0.00 -0.12 -0.13 0.00 0.12 0.00 0.00 56.93 56.79 2yr3 s PHE 14 Cb -0.04 -3.05 -0.10 0.00 -0.57 0.00 0.00 43.02 39.25 2yr3 s PHE 14 CO 0.01 -0.71 1.38 0.77 -0.10 0.00 0.00 175.22 176.57 2yr3 h SER 15 N 8.71 0.90 -2.42 1.36 0.02 -1.82 -3.38 113.55 116.93 2yr3 h SER 15 Ca -0.26 -0.54 -0.59 0.00 -0.84 0.00 0.00 61.79 59.55 2yr3 h SER 15 Cb 1.11 -0.26 -0.40 0.00 0.14 0.00 0.00 62.40 62.99 2yr3 h SER 15 CO 0.82 1.27 -0.84 -1.20 -1.14 0.00 0.00 176.83 175.74 2yr3 n SER 16 N -4.07 1.28 -4.32 3.07 7.64 -1.12 -4.99 113.62 111.10 2yr3 n SER 16 Ca -0.05 -2.84 -0.35 0.00 1.01 0.00 0.00 58.87 56.63 2yr3 n SER 16 Cb 0.61 -0.64 0.07 0.00 -1.01 0.00 0.00 64.21 63.23 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 1.93 0.63 -0.73 0.44 0.24 -1.26 -3.20 118.33 116.38 2yr3 n VAL 17 Ca 0.25 -0.37 -0.30 0.00 -2.04 0.00 0.00 64.34 61.88 2yr3 n VAL 17 Cb 0.45 -0.45 0.18 0.00 -1.47 0.00 0.00 33.84 32.55 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 2.05 2.26 0.12 1.34 1.43 -1.26 -4.91 118.68 119.71 2yr3 s LEU 18 Ca 0.56 1.93 0.03 0.00 -1.03 0.00 0.00 54.13 55.62 2yr3 s LEU 18 Cb -0.28 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.69 2yr3 s LEU 18 CO 0.68 -3.31 -0.08 -0.54 0.23 0.00 0.00 176.35 173.33 2yr3 s LYS 19 N -4.64 0.93 -0.04 1.70 1.02 -1.26 -4.92 119.74 112.53 2yr3 s LYS 19 Ca 0.67 -1.39 -0.30 0.00 0.02 0.00 0.00 55.97 54.97 2yr3 s LYS 19 Cb -0.23 -0.38 -0.06 0.00 -0.52 0.00 0.00 37.83 36.64 2yr3 s LYS 19 CO 0.60 0.02 1.67 0.16 -0.92 0.00 0.00 175.35 176.88 2yr3 s ASP 20 N -3.10 6.66 0.04 2.83 -4.77 -1.26 -4.68 116.67 112.38 2yr3 s ASP 20 Ca 0.14 2.27 0.07 0.00 -3.30 0.00 0.00 52.55 51.72 2yr3 s ASP 20 Cb 0.04 -2.53 -0.02 0.00 -1.09 0.00 0.00 42.92 39.31 2yr3 s ASP 20 CO -0.02 -0.93 -0.19 0.00 0.70 0.00 0.00 175.17 174.73 2yr3 s ALA 22 N -0.78 2.83 0.06 0.00 0.00 -1.26 -3.37 121.76 119.23 2yr3 s ALA 22 Ca 0.06 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2yr3 s ALA 22 Cb -0.08 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 2yr3 s ALA 22 CO 0.01 0.51 -0.05 0.54 0.00 0.00 0.00 175.76 176.77 2yr3 s VAL 23 N -0.59 0.43 0.00 0.00 0.11 -1.12 -5.03 120.40 114.20 2yr3 s VAL 23 Ca 0.09 -1.45 -0.12 0.00 -2.93 0.00 0.00 61.98 57.57 2yr3 s VAL 23 Cb -0.12 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.64 2yr3 s VAL 23 CO 0.02 -0.68 0.36 -0.63 -3.33 0.00 0.00 175.10 170.83 2yr3 s ILE 24 N -2.58 5.14 0.15 7.04 1.01 -1.26 0.11 121.20 130.80 2yr3 s ILE 24 Ca -0.01 0.59 -0.33 0.00 0.00 0.00 0.00 60.65 60.90 2yr3 s ILE 24 Cb -0.02 -3.64 -0.17 0.00 0.01 0.00 0.00 42.46 38.65 2yr3 s ILE 24 CO -0.04 0.49 0.99 1.21 0.00 0.00 0.00 174.94 177.60 2yr3 n GLU 25 N 1.54 0.67 0.00 2.79 0.00 -1.26 -0.73 120.64 123.64 2yr3 n GLU 25 Ca -0.13 0.24 0.00 0.00 0.00 0.00 0.00 57.16 57.27 2yr3 n GLU 25 Cb 0.53 -1.62 0.00 0.00 0.00 0.00 0.00 31.44 30.35 2yr3 n GLU 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2yr3 n GLY 26 N 1.86 2.31 2.96 8.31 0.00 -0.37 -4.92 105.19 115.35 2yr3 n GLY 26 Ca 0.16 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 -3.27 -3.77 1.61 1.13 0.09 -3.29 117.38 109.88 2yr3 n GLN 27 Ca 0.00 -1.09 -0.24 0.00 -1.94 0.00 0.00 57.00 53.73 2yr3 n GLN 27 Cb 0.00 -1.63 -0.17 0.00 0.11 0.00 0.00 30.24 28.54 2yr3 n GLN 27 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 2yr3 s ASP 28 N -2.58 1.85 -0.00 1.08 -4.77 -1.26 -0.62 116.67 110.36 2yr3 s ASP 28 Ca 0.50 -0.23 0.03 0.00 -3.30 0.00 0.00 52.55 49.55 2yr3 s ASP 28 Cb -0.09 -0.48 -0.03 0.00 -1.09 0.00 0.00 42.92 41.23 2yr3 s ASP 28 CO 0.42 -0.21 -0.09 0.72 0.70 0.00 0.00 175.17 176.71 2yr3 s PHE 29 N 1.94 2.84 -0.39 2.11 -0.12 -0.85 -4.96 117.98 118.55 2yr3 s PHE 29 Ca 0.04 -0.07 0.03 0.00 -0.05 0.00 0.00 56.93 56.88 2yr3 s PHE 29 Cb -0.13 -1.60 0.11 0.00 -0.63 0.00 0.00 43.02 40.77 2yr3 s PHE 29 CO -0.06 0.34 0.13 0.08 -0.05 0.00 0.00 175.22 175.67 2yr3 s VAL 30 N -0.95 1.98 -0.40 -2.49 1.01 -1.26 -1.58 120.40 116.71 2yr3 s VAL 30 Ca 0.16 -2.44 -0.27 0.00 0.00 0.00 0.00 61.98 59.43 2yr3 s VAL 30 Cb -0.11 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 2yr3 s VAL 30 CO 0.06 -0.70 2.19 -0.76 0.00 0.00 0.00 175.10 175.89 2yr3 s LEU 31 N 0.67 3.41 -0.15 3.92 1.43 -1.13 -4.73 118.68 122.10 2yr3 s LEU 31 Ca 0.13 1.27 -0.06 0.00 -1.03 0.00 0.00 54.13 54.44 2yr3 s LEU 31 Cb -0.21 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 2yr3 s LEU 31 CO -0.08 -2.36 0.04 -1.58 0.23 0.00 0.00 176.35 172.60 2yr3 s GLN 32 N 7.12 3.68 0.06 1.70 0.74 -1.26 -1.80 119.66 129.90 2yr3 s GLN 32 Ca 0.92 -0.38 -0.03 0.00 0.05 0.00 0.00 55.36 55.92 2yr3 s GLN 32 Cb -0.22 -3.07 -0.03 0.00 1.10 0.00 0.00 33.01 30.79 2yr3 s GLN 32 CO 0.29 0.39 0.04 0.00 -0.55 0.00 0.00 175.29 175.46 2yr3 s SER 34 N -2.80 5.11 -0.13 0.00 0.15 -1.19 -1.88 113.70 112.95 2yr3 s SER 34 Ca 0.05 0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.68 2yr3 s SER 34 Cb 0.06 -1.51 0.04 0.00 -1.71 0.00 0.00 66.02 62.90 2yr3 s SER 34 CO -0.10 0.33 0.33 0.54 1.20 0.00 0.00 173.24 175.54 2yr3 s VAL 35 N -0.60 -0.01 0.19 4.45 0.11 -1.01 -2.28 120.40 121.24 2yr3 s VAL 35 Ca 0.10 0.05 0.11 0.00 -2.93 0.00 0.00 61.98 59.31 2yr3 s VAL 35 Cb -0.12 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2yr3 s VAL 35 CO 0.02 0.02 -0.22 -0.13 -3.33 0.00 0.00 175.10 171.46 2yr3 s ARG 36 N 0.69 1.46 0.00 1.54 0.52 -0.83 -4.60 118.95 117.73 2yr3 s ARG 36 Ca -0.04 -1.52 0.00 0.00 -0.52 0.00 0.00 55.73 53.65 2yr3 s ARG 36 Cb -0.05 -1.68 0.00 0.00 0.52 0.00 0.00 34.95 33.73 2yr3 s ARG 36 CO -0.05 0.35 0.00 0.41 0.02 0.00 0.00 175.30 176.04 2yr3 n GLY 37 N 0.18 3.30 2.76 -3.53 0.00 -1.26 -2.46 105.19 104.17 2yr3 n GLY 37 Ca -0.12 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.68 0.19 0.69 2.61 2.01 -1.11 -2.35 115.64 116.00 2yr3 s THR 38 Ca 0.00 0.20 -0.14 0.00 0.31 0.00 0.00 61.69 62.06 2yr3 s THR 38 Cb 0.00 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 72.17 2yr3 s THR 38 CO 0.00 0.21 1.11 -2.16 -0.69 0.00 0.00 174.62 173.08 2yr3 s PRO 39 N 1.78 2.66 -0.07 4.92 0.04 -1.26 -0.79 135.00 142.28 2yr3 s PRO 39 Ca 0.01 1.33 -0.40 0.00 0.04 0.00 0.00 61.00 61.98 2yr3 s PRO 39 Cb -0.13 -1.94 -0.19 0.00 0.04 0.00 0.00 34.50 32.29 2yr3 s PRO 39 CO -0.04 -1.35 1.27 1.55 0.04 0.00 0.00 177.00 178.47 2yr3 n VAL 40 N -2.70 0.02 -1.19 -0.36 3.14 -0.99 -4.82 118.33 111.44 2yr3 n VAL 40 Ca 0.10 -0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.18 2yr3 n VAL 40 Cb 0.52 -0.38 0.15 0.00 -1.06 0.00 0.00 33.84 33.07 2yr3 n VAL 40 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2yr3 s PRO 41 N 0.82 0.92 -0.11 1.45 0.04 -1.26 -4.92 135.00 131.94 2yr3 s PRO 41 Ca 0.92 0.70 -0.19 0.00 0.04 0.00 0.00 61.00 62.47 2yr3 s PRO 41 Cb -1.20 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2yr3 s PRO 41 CO 0.58 -2.44 0.52 1.03 0.04 0.00 0.00 177.00 176.73 2yr3 s ARG 42 N -4.94 4.35 -0.40 4.56 3.00 -1.12 -4.89 118.95 119.51 2yr3 s ARG 42 Ca 0.64 0.53 -0.15 0.00 0.00 0.00 0.00 55.73 56.75 2yr3 s ARG 42 Cb -0.18 -3.44 0.01 0.00 0.00 0.00 0.00 34.95 31.34 2yr3 s ARG 42 CO 0.57 0.13 0.30 0.42 0.00 0.00 0.00 175.30 176.72 2yr3 s ILE 43 N 0.68 5.26 -0.16 1.52 -1.09 -1.26 -3.83 121.20 122.32 2yr3 s ILE 43 Ca 0.28 -0.55 -0.01 0.00 -2.23 0.00 0.00 60.65 58.14 2yr3 s ILE 43 Cb -0.16 -3.89 0.04 0.00 -1.58 0.00 0.00 42.46 36.87 2yr3 s ILE 43 CO 0.12 -0.25 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.64 2yr3 s THR 44 N 1.71 1.01 -0.13 2.92 2.01 -1.18 -5.03 115.64 116.95 2yr3 s THR 44 Ca 0.06 -0.54 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 2yr3 s THR 44 Cb -0.19 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 2yr3 s THR 44 CO 0.10 0.14 0.53 0.26 -0.69 0.00 0.00 174.62 174.96 2yr3 s TRP 45 N 1.68 3.49 -0.09 4.92 0.52 -1.26 -3.09 118.94 125.11 2yr3 s TRP 45 Ca 0.01 0.93 0.03 0.00 0.02 0.00 0.00 56.10 57.10 2yr3 s TRP 45 Cb -0.15 -2.64 0.00 0.00 -1.15 0.00 0.00 33.47 29.54 2yr3 s TRP 45 CO -0.08 0.08 -0.20 -0.51 0.02 0.00 0.00 176.95 176.27 2yr3 s LEU 46 N 0.94 1.93 -0.42 2.99 1.43 -1.16 -2.73 118.68 121.66 2yr3 s LEU 46 Ca 0.28 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 2yr3 s LEU 46 Cb -0.16 -1.20 0.10 0.00 0.03 0.00 0.00 46.19 44.96 2yr3 s LEU 46 CO 0.11 0.12 0.25 -0.22 0.23 0.00 0.00 176.35 176.84 2yr3 s LEU 47 N 0.43 5.25 -0.50 1.79 2.96 0.25 -2.67 118.68 126.18 2yr3 s LEU 47 Ca -0.17 -1.74 -0.02 0.00 -0.22 0.00 0.00 54.13 51.98 2yr3 s LEU 47 Cb -0.17 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.59 2yr3 s LEU 47 CO 0.07 -0.57 0.26 0.59 -1.32 0.00 0.00 176.35 175.39 2yr3 n ASN 48 N 4.81 -3.19 0.00 3.68 3.02 -1.25 -3.35 115.26 118.98 2yr3 n ASN 48 Ca -0.08 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2yr3 n ASN 48 Cb 0.42 -2.01 0.00 0.00 -0.61 0.00 0.00 39.78 37.58 2yr3 n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yr3 n GLY 49 N -1.01 2.30 3.82 7.41 0.00 -1.26 -5.00 105.19 111.46 2yr3 n GLY 49 Ca -0.03 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 4.15 0.78 1.61 -2.07 -1.21 -4.95 119.66 117.97 2yr3 s GLN 50 Ca 0.00 0.72 -0.11 0.00 -1.82 0.00 0.00 55.36 54.15 2yr3 s GLN 50 Cb 0.00 -2.97 0.06 0.00 -1.09 0.00 0.00 33.01 29.01 2yr3 s GLN 50 CO 0.00 0.47 1.09 -1.25 -1.32 0.00 0.00 175.29 174.28 2yr3 s PRO 51 N -1.80 2.16 -0.18 9.60 0.04 -1.26 0.84 135.00 144.40 2yr3 s PRO 51 Ca 0.38 1.14 -0.18 0.00 0.04 0.00 0.00 61.00 62.38 2yr3 s PRO 51 Cb -0.17 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2yr3 s PRO 51 CO 0.20 -1.70 0.50 0.42 0.04 0.00 0.00 177.00 176.46 2yr3 s ILE 52 N -2.91 5.13 -0.08 0.56 1.01 -1.10 -4.69 121.20 119.12 2yr3 s ILE 52 Ca 0.61 0.94 -0.24 0.00 0.00 0.00 0.00 60.65 61.97 2yr3 s ILE 52 Cb -0.17 -3.83 -0.20 0.00 0.01 0.00 0.00 42.46 38.27 2yr3 s ILE 52 CO 0.56 0.22 0.86 0.06 0.00 0.00 0.00 174.94 176.65 2yr3 h GLN 53 N 7.24 -0.06 -1.75 2.79 3.07 -1.95 -3.31 115.11 121.14 2yr3 h GLN 53 Ca -0.36 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 57.85 2yr3 h GLN 53 Cb 1.16 0.01 -0.20 0.00 0.08 0.00 0.00 27.48 28.53 2yr3 h GLN 53 CO 0.74 0.59 0.59 2.48 0.09 0.00 0.00 178.83 183.33 2yr3 n TYR 54 N -4.77 2.07 -3.02 0.06 0.18 -1.26 -4.88 117.16 105.54 2yr3 n TYR 54 Ca -0.08 -2.17 -0.44 0.00 1.88 0.00 0.00 57.90 57.08 2yr3 n TYR 54 Cb 0.33 -1.26 -0.03 0.00 -0.38 0.00 0.00 39.34 38.00 2yr3 n TYR 54 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2yr3 s ALA 55 N -2.48 3.41 -0.12 -3.48 0.00 -1.25 -4.91 121.76 112.92 2yr3 s ALA 55 Ca 0.52 -2.44 -0.04 0.00 0.00 0.00 0.00 51.96 50.00 2yr3 s ALA 55 Cb 0.38 -3.77 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 2yr3 s ALA 55 CO -0.18 -2.64 3.04 0.54 0.00 0.00 0.00 175.76 176.52 2yr3 n ARG 56 N 6.44 1.90 -2.45 0.00 1.74 -1.26 -4.93 116.66 118.09 2yr3 n ARG 56 Ca 0.05 -1.17 -0.37 0.00 -0.77 0.00 0.00 57.85 55.59 2yr3 n ARG 56 Cb 0.46 -1.83 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.49 6.60 -0.16 0.55 1.04 -1.26 -4.11 113.70 117.85 2yr3 s SER 57 Ca 0.51 2.13 -0.02 0.00 0.48 0.00 0.00 55.95 59.04 2yr3 s SER 57 Cb 0.27 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.85 2yr3 s SER 57 CO -0.05 -0.61 0.03 0.42 0.98 0.00 0.00 173.24 174.01 2yr3 s THR 58 N -1.61 0.46 -0.43 2.02 -4.23 -0.39 -4.97 115.64 106.48 2yr3 s THR 58 Ca 0.59 -0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.66 2yr3 s THR 58 Cb -0.24 -0.87 0.08 0.00 1.34 0.00 0.00 72.50 72.81 2yr3 s THR 58 CO 0.30 -0.07 0.29 0.00 -0.54 0.00 0.00 174.62 174.60 2yr3 s GLU 60 N 1.47 1.20 -1.78 0.00 0.41 -1.02 -4.76 118.70 114.22 2yr3 s GLU 60 Ca 0.03 -1.28 -0.17 0.00 -0.41 0.00 0.00 54.97 53.15 2yr3 s GLU 60 Cb -0.23 -1.39 0.17 0.00 -1.78 0.00 0.00 34.13 30.89 2yr3 s GLU 60 CO 0.03 0.31 0.45 0.00 -0.49 0.00 0.00 175.26 175.56 2yr3 n ALA 61 N 0.74 -1.44 -2.80 5.21 0.00 -1.26 0.18 120.51 121.14 2yr3 n ALA 61 Ca -0.17 -0.25 -0.18 0.00 0.00 0.00 0.00 53.44 52.84 2yr3 n ALA 61 Cb 0.55 -2.11 0.02 0.00 0.00 0.00 0.00 19.45 17.92 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 -1.50 -0.31 2.77 0.00 0.00 -1.26 -4.98 105.19 99.91 2yr3 n GLY 62 Ca -0.01 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.03 1.56 0.12 1.61 1.01 0.47 -2.41 120.40 119.72 2yr3 s VAL 63 Ca 0.21 -2.46 -0.30 0.00 0.00 0.00 0.00 61.98 59.43 2yr3 s VAL 63 Cb -0.09 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 2yr3 s VAL 63 CO 0.26 -0.82 1.14 0.00 0.00 0.00 0.00 175.10 175.68 2yr3 s ALA 64 N 0.51 3.37 0.01 5.51 0.00 -0.79 -2.44 121.76 127.93 2yr3 s ALA 64 Ca 0.16 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2yr3 s ALA 64 Cb -0.23 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 2yr3 s ALA 64 CO -0.04 -0.32 -0.02 -1.21 0.00 0.00 0.00 175.76 174.17 2yr3 s GLU 65 N 0.31 0.16 -0.37 0.00 2.02 -1.08 -0.99 118.70 118.75 2yr3 s GLU 65 Ca 0.54 -0.29 0.02 0.00 0.02 0.00 0.00 54.97 55.26 2yr3 s GLU 65 Cb -0.29 0.03 0.11 0.00 0.10 0.00 0.00 34.13 34.08 2yr3 s GLU 65 CO 0.32 -0.02 0.12 -1.17 0.02 0.00 0.00 175.26 174.53 2yr3 s LEU 66 N -0.69 3.73 -0.28 1.80 2.96 -0.75 -1.26 118.68 124.20 2yr3 s LEU 66 Ca -0.07 -2.20 -0.29 0.00 -0.22 0.00 0.00 54.13 51.35 2yr3 s LEU 66 Cb -0.05 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 2yr3 s LEU 66 CO -0.00 -0.35 1.49 -1.00 -1.32 0.00 0.00 176.35 175.16 2yr3 s HIS 67 N 0.86 2.33 -0.38 5.38 3.76 -1.26 -2.83 115.29 123.16 2yr3 s HIS 67 Ca 0.12 0.68 0.03 0.00 -0.15 0.00 0.00 55.06 55.75 2yr3 s HIS 67 Cb -0.20 -4.00 0.11 0.00 1.11 0.00 0.00 32.58 29.59 2yr3 s HIS 67 CO -0.11 -2.38 0.11 0.42 -0.85 0.00 0.00 174.74 171.94 2yr3 s ILE 68 N 5.03 2.01 0.43 0.60 -1.09 -0.61 -4.41 121.20 123.16 2yr3 s ILE 68 Ca 0.65 -2.38 -0.04 0.00 -2.23 0.00 0.00 60.65 56.66 2yr3 s ILE 68 Cb -0.20 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 2yr3 s ILE 68 CO 0.28 -0.68 0.70 0.00 -1.23 0.00 0.00 174.94 174.02 2yr3 s GLN 69 N 0.76 3.53 -1.25 2.79 -2.07 -1.26 -2.00 119.66 120.15 2yr3 s GLN 69 Ca 0.12 0.03 -0.01 0.00 -1.82 0.00 0.00 55.36 53.69 2yr3 s GLN 69 Cb -0.20 -2.47 -0.00 0.00 -1.09 0.00 0.00 33.01 29.24 2yr3 s GLN 69 CO -0.09 -0.08 0.82 -0.25 -1.32 0.00 0.00 175.29 174.37 2yr3 n ASP 70 N -2.05 -1.86 -4.49 12.60 8.00 -1.02 -4.76 116.55 122.97 2yr3 n ASP 70 Ca -0.01 -0.75 -0.43 0.00 0.71 0.00 0.00 54.79 54.31 2yr3 n ASP 70 Cb 0.55 -4.48 -0.08 0.00 -0.02 0.00 0.00 41.12 37.09 2yr3 n ASP 70 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yr3 n ALA 71 N -4.16 0.71 -2.54 2.24 0.00 0.21 -4.60 120.51 112.36 2yr3 n ALA 71 Ca -0.28 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.48 2yr3 n ALA 71 Cb 0.67 -2.65 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 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 9.35 4.09 0.00 0.00 1.43 -1.26 -1.23 118.68 131.05 2yr3 s LEU 72 Ca 1.15 0.70 0.15 0.00 -1.03 0.00 0.00 54.13 55.10 2yr3 s LEU 72 Cb -0.79 -3.50 0.83 0.00 0.03 0.00 0.00 46.19 42.75 2yr3 s LEU 72 CO 0.42 -0.17 1.37 -0.81 0.23 0.00 0.00 176.35 177.40 2yr3 n PRO 73 N -0.83 0.34 -0.04 1.29 -0.04 -1.26 -2.15 135.00 132.32 2yr3 n PRO 73 Ca -0.02 0.08 0.03 0.00 -0.04 0.00 0.00 63.50 63.55 2yr3 n PRO 73 Cb 0.54 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.15 0.67 0.16 0.54 0.28 -1.26 -4.26 120.64 115.63 2yr3 n GLU 74 Ca 0.09 -0.10 0.02 0.00 -0.16 0.00 0.00 57.16 57.01 2yr3 n GLU 74 Cb 0.09 -1.55 0.27 0.00 1.43 0.00 0.00 31.44 31.68 2yr3 n GLU 74 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2yr3 h ASP 75 N 0.00 0.00 -0.83 -1.84 3.32 -1.83 -3.44 116.42 111.79 2yr3 h ASP 75 Ca -0.20 0.00 -0.78 0.00 0.02 0.00 0.00 57.03 56.07 2yr3 h ASP 75 Cb 1.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.01 2yr3 h ASP 75 CO 0.01 0.48 1.05 1.57 -1.72 0.00 0.00 179.24 180.64 2yr3 n HIS 76 N -3.79 1.62 0.00 4.55 -0.00 -1.24 -4.76 115.22 111.59 2yr3 n HIS 76 Ca -0.01 0.75 0.00 0.00 -0.00 0.00 0.00 57.72 58.46 2yr3 n HIS 76 Cb 0.53 -2.35 0.00 0.00 -0.00 0.00 0.00 29.99 28.17 2yr3 n HIS 76 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2yr3 n GLY 77 N 5.54 3.31 2.67 1.57 0.00 -1.24 -5.04 105.19 112.00 2yr3 n GLY 77 Ca 0.39 -0.05 -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 0.51 0.81 -0.35 2.61 2.01 -1.26 -3.82 115.64 116.15 2yr3 s THR 78 Ca 0.00 -1.66 -0.29 0.00 0.31 0.00 0.00 61.69 60.06 2yr3 s THR 78 Cb 0.00 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.92 2yr3 s THR 78 CO 0.00 -0.78 1.27 -0.31 -0.69 0.00 0.00 174.62 174.11 2yr3 s TYR 79 N 1.29 2.70 -0.27 4.92 1.51 -1.22 -3.95 117.35 122.32 2yr3 s TYR 79 Ca 0.13 0.85 -0.07 0.00 -1.01 0.00 0.00 57.07 56.97 2yr3 s TYR 79 Cb -0.20 -4.03 -0.01 0.00 -0.11 0.00 0.00 41.96 37.61 2yr3 s TYR 79 CO -0.17 -1.59 0.08 0.99 -1.11 0.00 0.00 175.55 173.75 2yr3 s THR 80 N 4.50 4.17 -0.63 -0.71 2.01 -1.09 -2.02 115.64 121.86 2yr3 s THR 80 Ca 0.55 -0.39 -0.18 0.00 0.31 0.00 0.00 61.69 61.97 2yr3 s THR 80 Cb -0.14 -3.03 0.12 0.00 0.01 0.00 0.00 72.50 69.45 2yr3 s THR 80 CO 0.25 0.23 0.72 0.00 -0.69 0.00 0.00 174.62 175.13 2yr3 s LEU 82 N 2.39 4.48 -0.14 0.00 2.96 -1.18 -2.66 118.68 124.54 2yr3 s LEU 82 Ca 0.13 1.24 -0.04 0.00 -0.22 0.00 0.00 54.13 55.23 2yr3 s LEU 82 Cb -0.22 -2.93 0.06 0.00 0.50 0.00 0.00 46.19 43.59 2yr3 s LEU 82 CO 0.04 0.19 0.10 0.00 -1.32 0.00 0.00 176.35 175.36 2yr3 s ALA 83 N -0.67 0.27 0.01 5.97 0.00 -0.52 -3.10 121.76 123.72 2yr3 s ALA 83 Ca 0.30 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.20 2yr3 s ALA 83 Cb -0.19 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 2yr3 s ALA 83 CO 0.19 -0.99 -0.06 -1.83 0.00 0.00 0.00 175.76 173.07 2yr3 s GLU 84 N 2.17 0.47 0.20 0.00 -1.05 -1.25 -0.87 118.70 118.37 2yr3 s GLU 84 Ca 0.03 -0.39 0.02 0.00 -0.15 0.00 0.00 54.97 54.48 2yr3 s GLU 84 Cb -0.15 -0.38 -0.01 0.00 -0.44 0.00 0.00 34.13 33.16 2yr3 s GLU 84 CO -0.08 0.09 0.06 0.27 0.95 0.00 0.00 175.26 176.55 2yr3 n ASN 85 N 2.43 1.35 0.00 0.83 0.23 -0.51 -2.81 115.26 116.78 2yr3 n ASN 85 Ca -0.16 -2.01 0.06 0.00 -0.53 0.00 0.00 54.58 51.94 2yr3 n ASN 85 Cb 0.57 0.42 0.36 0.00 -2.08 0.00 0.00 39.78 39.05 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 -2.13 1.89 -0.60 -2.53 0.00 -1.26 -3.88 120.51 112.00 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 0.29 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.12 0.00 0.00 0.00 4.32 -1.26 -5.10 117.00 113.84 2yr3 n LEU 87 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 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 -0.20 0.00 0.61 -1.22 0.00 0.00 177.39 176.66 2yr3 n GLY 88 N 2.59 7.29 3.64 -0.72 0.00 -1.25 -5.02 105.19 111.72 2yr3 n GLY 88 Ca 0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 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 0.58 0.69 0.10 1.61 -2.07 -1.26 -1.42 119.66 117.89 2yr3 s GLN 89 Ca 0.00 1.03 -0.00 0.00 -1.82 0.00 0.00 55.36 54.57 2yr3 s GLN 89 Cb 0.00 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 2yr3 s GLN 89 CO 0.00 -0.12 -0.00 0.14 -1.32 0.00 0.00 175.29 173.99 2yr3 s VAL 90 N 1.07 0.31 -0.09 3.63 -7.23 -0.05 -4.97 120.40 113.07 2yr3 s VAL 90 Ca -0.05 -1.88 -0.06 0.00 -1.81 0.00 0.00 61.98 58.17 2yr3 s VAL 90 Cb -0.05 -1.80 0.03 0.00 0.56 0.00 0.00 36.38 35.13 2yr3 s VAL 90 CO -0.11 -0.73 0.22 -0.94 -0.31 0.00 0.00 175.10 173.22 2yr3 s SER 91 N -3.01 -0.23 -0.06 4.85 1.04 -1.26 -1.43 113.70 113.59 2yr3 s SER 91 Ca 0.16 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.04 2yr3 s SER 91 Cb 0.07 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.63 2yr3 s SER 91 CO -0.03 -0.11 -0.04 0.00 0.98 0.00 0.00 173.24 174.03 2yr3 s SER 93 N 1.31 5.50 0.17 0.00 1.04 -1.26 -0.71 113.70 119.74 2yr3 s SER 93 Ca -0.05 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2yr3 s SER 93 Cb -0.14 -1.44 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 2yr3 s SER 93 CO -0.02 0.09 0.04 0.00 0.98 0.00 0.00 173.24 174.33 2yr3 s ALA 94 N -1.67 1.18 -0.16 5.32 0.00 -0.86 -4.84 121.76 120.73 2yr3 s ALA 94 Ca 0.30 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.69 2yr3 s ALA 94 Cb -0.10 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 2yr3 s ALA 94 CO 0.23 -0.42 -0.15 -0.46 0.00 0.00 0.00 175.76 174.96 2yr3 s TRP 95 N -3.86 2.79 -0.11 0.00 -0.11 -1.26 -3.45 118.94 112.93 2yr3 s TRP 95 Ca 0.26 -1.05 0.00 0.00 1.22 0.00 0.00 56.10 56.54 2yr3 s TRP 95 Cb 0.07 -1.90 0.02 0.00 -1.50 0.00 0.00 33.47 30.16 2yr3 s TRP 95 CO 0.05 -0.48 -0.10 0.08 -4.62 0.00 0.00 176.95 171.87 2yr3 s VAL 96 N 0.86 1.19 -0.08 5.86 1.01 -1.25 -3.32 120.40 124.67 2yr3 s VAL 96 Ca -0.04 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2yr3 s VAL 96 Cb -0.15 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2yr3 s VAL 96 CO -0.01 0.39 -0.15 -0.89 0.00 0.00 0.00 175.10 174.44 2yr3 s THR 97 N 1.46 2.92 -0.34 3.92 2.01 -1.22 -3.69 115.64 120.71 2yr3 s THR 97 Ca 0.01 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 2yr3 s THR 97 Cb -0.13 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.23 2yr3 s THR 97 CO -0.07 0.56 0.15 -0.69 -0.69 0.00 0.00 174.62 173.89 2yr3 s VAL 98 N -0.27 4.35 -1.88 3.82 1.01 -1.26 -2.81 120.40 123.36 2yr3 s VAL 98 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2yr3 s VAL 98 Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2yr3 s VAL 98 CO 0.03 -0.09 0.47 1.41 0.00 0.00 0.00 175.10 176.91