#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yr3 h SER 2 N 0.00 0.39 0.31 1.61 0.02 -2.07 -3.40 113.55 110.42 2yr3 h SER 2 Ca 0.00 -0.90 -0.02 0.00 -0.84 0.00 0.00 61.79 60.03 2yr3 h SER 2 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2yr3 h SER 2 CO 0.00 1.45 -0.15 -1.28 -1.14 0.00 0.00 176.83 175.71 2yr3 h SER 3 N -0.41 -0.36 -3.37 3.07 0.87 -2.14 -3.47 113.55 107.74 2yr3 h SER 3 Ca -0.20 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 2yr3 h SER 3 Cb 1.63 0.09 -0.22 0.00 -0.44 0.00 0.00 62.40 63.46 2yr3 h SER 3 CO 0.10 0.10 -0.04 -0.83 -0.53 0.00 0.00 176.83 175.62 2yr3 s GLY 4 N -3.07 -0.52 0.35 5.77 0.00 -1.26 -5.15 107.32 103.44 2yr3 s GLY 4 Ca -0.06 2.04 -0.28 0.00 0.00 0.00 0.00 44.72 46.41 2yr3 s GLY 4 CO 0.20 1.97 1.40 -1.35 0.00 0.00 0.00 173.10 175.32 2yr3 s SER 5 N 1.15 6.56 0.33 1.64 1.04 -1.26 -4.49 113.70 118.67 2yr3 s SER 5 Ca -0.06 2.87 0.10 0.00 0.48 0.00 0.00 55.95 59.33 2yr3 s SER 5 Cb -0.05 -2.66 -0.06 0.00 0.10 0.00 0.00 66.02 63.35 2yr3 s SER 5 CO -0.11 -0.70 -0.11 -0.94 0.98 0.00 0.00 173.24 172.35 2yr3 s SER 6 N -0.30 3.62 -0.40 7.02 1.04 -1.26 -4.83 113.70 118.59 2yr3 s SER 6 Ca 0.51 -1.17 -0.00 0.00 0.48 0.00 0.00 55.95 55.76 2yr3 s SER 6 Cb -0.43 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.36 2yr3 s SER 6 CO 0.58 -0.18 0.34 0.61 0.98 0.00 0.00 173.24 175.57 2yr3 n GLY 7 N -0.75 0.22 3.45 7.32 0.00 -1.26 -5.00 105.19 109.17 2yr3 n GLY 7 Ca -0.05 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2yr3 n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2yr3 n MET 8 N -2.01 -0.28 -3.26 1.61 -0.00 -1.26 -5.03 117.12 106.88 2yr3 n MET 8 Ca -0.08 -0.04 -0.17 0.00 -0.00 0.00 0.00 57.70 57.41 2yr3 n MET 8 Cb 0.55 -1.91 -0.02 0.00 -0.00 0.00 0.00 33.22 31.83 2yr3 n MET 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2yr3 n GLU 9 N -1.94 1.17 -3.98 3.17 1.02 -1.26 -5.04 120.64 113.78 2yr3 n GLU 9 Ca 0.07 -2.10 -0.09 0.00 -0.02 0.00 0.00 57.16 55.02 2yr3 n GLU 9 Cb 0.53 0.42 -0.04 0.00 -0.02 0.00 0.00 31.44 32.33 2yr3 n GLU 9 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2yr3 s VAL 10 N -1.86 0.00 0.29 2.62 -7.23 -0.79 -4.98 120.40 108.45 2yr3 s VAL 10 Ca 0.08 -1.35 0.03 0.00 -1.81 0.00 0.00 61.98 58.92 2yr3 s VAL 10 Cb -0.01 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 2yr3 s VAL 10 CO 0.05 0.00 0.45 0.00 -0.31 0.00 0.00 175.10 175.29 2yr3 s ALA 11 N -3.74 3.81 0.37 1.32 0.00 -1.26 -3.64 121.76 118.63 2yr3 s ALA 11 Ca 0.22 -1.06 -0.26 0.00 0.00 0.00 0.00 51.96 50.85 2yr3 s ALA 11 Cb -0.02 -1.92 -0.09 0.00 0.00 0.00 0.00 23.12 21.09 2yr3 s ALA 11 CO 0.10 0.11 1.20 -1.25 0.00 0.00 0.00 175.76 175.93 2yr3 s PRO 12 N -4.14 4.16 -0.09 0.00 0.04 -1.26 -4.53 135.00 129.19 2yr3 s PRO 12 Ca 0.37 1.94 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 2yr3 s PRO 12 Cb -0.09 -2.81 0.08 0.00 0.04 0.00 0.00 34.50 31.71 2yr3 s PRO 12 CO 0.32 -0.26 0.74 -1.12 0.04 0.00 0.00 177.00 176.73 2yr3 s SER 13 N -0.94 -0.62 -0.30 6.66 0.01 -0.94 -4.62 113.70 112.95 2yr3 s SER 13 Ca 0.54 0.74 -0.10 0.00 1.31 0.00 0.00 55.95 58.44 2yr3 s SER 13 Cb -0.33 0.60 -0.02 0.00 0.21 0.00 0.00 66.02 66.47 2yr3 s SER 13 CO 0.43 -0.52 0.17 -0.36 0.41 0.00 0.00 173.24 173.36 2yr3 s PHE 14 N -1.00 3.18 0.12 2.43 0.08 -1.26 -1.58 117.98 119.95 2yr3 s PHE 14 Ca -0.08 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 2yr3 s PHE 14 Cb -0.01 -2.37 -0.11 0.00 -0.57 0.00 0.00 43.02 39.97 2yr3 s PHE 14 CO 0.07 -0.35 1.36 1.03 -0.10 0.00 0.00 175.22 177.24 2yr3 h SER 15 N 8.36 0.95 -2.89 1.36 0.87 -0.85 -3.39 113.55 117.97 2yr3 h SER 15 Ca -0.34 -0.57 -0.60 0.00 -1.23 0.00 0.00 61.79 59.06 2yr3 h SER 15 Cb 1.16 -0.28 -0.40 0.00 -0.44 0.00 0.00 62.40 62.45 2yr3 h SER 15 CO 0.60 1.37 -0.81 -0.44 -0.53 0.00 0.00 176.83 177.01 2yr3 s SER 16 N -7.03 2.98 0.62 6.23 0.01 -1.11 -4.94 113.70 110.46 2yr3 s SER 16 Ca -0.10 -2.95 -0.19 0.00 1.31 0.00 0.00 55.95 54.02 2yr3 s SER 16 Cb 0.09 -0.84 -0.03 0.00 0.21 0.00 0.00 66.02 65.46 2yr3 s SER 16 CO 0.90 -0.20 1.21 1.33 0.41 0.00 0.00 173.24 176.88 2yr3 n VAL 17 N 3.07 4.45 -1.63 3.43 0.24 -1.26 -3.06 118.33 123.57 2yr3 n VAL 17 Ca 0.19 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.61 2yr3 n VAL 17 Cb 0.40 -1.42 0.05 0.00 -1.47 0.00 0.00 33.84 31.40 2yr3 n VAL 17 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2yr3 n LEU 18 N -1.44 3.95 -4.21 1.34 4.77 -1.26 -4.98 117.00 115.16 2yr3 n LEU 18 Ca 0.15 0.83 -0.15 0.00 -0.03 0.00 0.00 56.01 56.80 2yr3 n LEU 18 Cb 0.47 -1.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.04 2yr3 n LEU 18 CO 0.49 -1.69 -0.42 -0.54 -1.33 0.00 0.00 177.39 173.89 2yr3 s LYS 19 N -2.78 0.95 0.08 3.23 -0.14 -1.26 -4.85 119.74 114.97 2yr3 s LYS 19 Ca 0.75 -1.25 -0.27 0.00 -1.36 0.00 0.00 55.97 53.84 2yr3 s LYS 19 Cb -0.42 -0.66 -0.15 0.00 -1.68 0.00 0.00 37.83 34.93 2yr3 s LYS 19 CO 0.47 0.10 0.63 -0.40 -0.76 0.00 0.00 175.35 175.40 2yr3 n ASP 20 N 0.37 -0.50 -4.05 2.83 5.68 -1.26 -4.84 116.55 114.78 2yr3 n ASP 20 Ca -0.14 0.91 -0.08 0.00 -0.50 0.00 0.00 54.79 54.97 2yr3 n ASP 20 Cb 0.58 -0.74 -0.10 0.00 -1.14 0.00 0.00 41.12 39.71 2yr3 n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2yr3 s ALA 22 N -2.78 0.16 -0.01 0.00 0.00 -1.26 -2.00 121.76 115.87 2yr3 s ALA 22 Ca -0.03 -0.68 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 2yr3 s ALA 22 Cb -0.00 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.34 2yr3 s ALA 22 CO -0.06 -0.21 0.50 0.54 0.00 0.00 0.00 175.76 176.54 2yr3 s VAL 23 N -1.93 0.03 0.21 0.00 0.11 -0.88 -4.99 120.40 112.95 2yr3 s VAL 23 Ca -0.11 -0.24 -0.15 0.00 -2.93 0.00 0.00 61.98 58.55 2yr3 s VAL 23 Cb -0.06 -0.86 -0.08 0.00 -1.53 0.00 0.00 36.38 33.85 2yr3 s VAL 23 CO -0.03 -0.13 0.62 -0.63 -3.33 0.00 0.00 175.10 171.60 2yr3 s ILE 24 N -1.58 4.78 -0.46 7.04 1.01 -1.26 0.11 121.20 130.85 2yr3 s ILE 24 Ca -0.10 0.87 -0.27 0.00 0.00 0.00 0.00 60.65 61.14 2yr3 s ILE 24 Cb -0.02 -3.72 -0.08 0.00 0.01 0.00 0.00 42.46 38.66 2yr3 s ILE 24 CO 0.05 0.10 2.38 1.21 0.00 0.00 0.00 174.94 178.68 2yr3 n GLU 25 N 0.40 1.17 0.00 2.79 2.13 -1.26 -0.82 120.64 125.05 2yr3 n GLU 25 Ca -0.02 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2yr3 n GLU 25 Cb 0.52 -3.20 0.00 0.00 0.27 0.00 0.00 31.44 29.03 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 6.03 1.22 3.99 8.31 0.00 -1.21 -5.03 105.19 118.50 2yr3 n GLY 26 Ca 0.38 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.08 2.49 -0.08 1.61 -1.52 0.00 -4.78 119.66 117.31 2yr3 s GLN 27 Ca 0.00 -1.55 0.05 0.00 -1.95 0.00 0.00 55.36 51.91 2yr3 s GLN 27 Cb 0.00 -2.59 -0.00 0.00 -0.22 0.00 0.00 33.01 30.20 2yr3 s GLN 27 CO 0.00 -0.56 -0.23 0.16 -0.25 0.00 0.00 175.29 174.40 2yr3 s ASP 28 N -4.46 2.97 -0.01 5.90 1.47 -1.26 -2.23 116.67 119.06 2yr3 s ASP 28 Ca 0.55 -0.52 0.01 0.00 1.18 0.00 0.00 52.55 53.76 2yr3 s ASP 28 Cb -0.06 -1.16 0.00 0.00 -0.34 0.00 0.00 42.92 41.36 2yr3 s ASP 28 CO 0.34 0.18 -0.02 0.72 0.68 0.00 0.00 175.17 177.07 2yr3 s PHE 29 N 0.18 0.20 -0.31 2.11 -0.12 -0.94 -5.02 117.98 114.08 2yr3 s PHE 29 Ca -0.13 -0.02 0.03 0.00 -0.05 0.00 0.00 56.93 56.75 2yr3 s PHE 29 Cb -0.16 -0.16 0.09 0.00 -0.63 0.00 0.00 43.02 42.15 2yr3 s PHE 29 CO 0.07 -0.02 0.02 0.54 -0.05 0.00 0.00 175.22 175.77 2yr3 s VAL 30 N 0.14 1.92 -0.24 -2.49 0.11 -1.26 -1.40 120.40 117.19 2yr3 s VAL 30 Ca -0.01 -1.93 -0.29 0.00 -2.93 0.00 0.00 61.98 56.82 2yr3 s VAL 30 Cb -0.03 -2.34 -0.06 0.00 -1.53 0.00 0.00 36.38 32.43 2yr3 s VAL 30 CO -0.00 -0.46 2.23 0.18 -3.33 0.00 0.00 175.10 173.72 2yr3 n LEU 31 N 4.43 3.10 -4.74 2.54 4.77 -1.00 -4.68 117.00 121.43 2yr3 n LEU 31 Ca -0.02 0.19 -0.36 0.00 -0.03 0.00 0.00 56.01 55.80 2yr3 n LEU 31 Cb 0.42 -1.53 -0.08 0.00 -2.33 0.00 0.00 43.42 39.90 2yr3 n LEU 31 CO 0.19 -0.73 -0.24 -1.58 -1.33 0.00 0.00 177.39 173.70 2yr3 s GLN 32 N 6.44 3.46 0.06 3.23 0.74 -1.26 -1.50 119.66 130.83 2yr3 s GLN 32 Ca 1.02 -0.28 -0.08 0.00 0.05 0.00 0.00 55.36 56.07 2yr3 s GLN 32 Cb -0.38 -3.07 -0.00 0.00 1.10 0.00 0.00 33.01 30.65 2yr3 s GLN 32 CO 0.36 0.60 0.16 0.00 -0.55 0.00 0.00 175.29 175.86 2yr3 s SER 34 N -2.46 5.16 -0.00 0.00 0.15 -1.17 -1.97 113.70 113.41 2yr3 s SER 34 Ca -0.00 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.55 2yr3 s SER 34 Cb 0.02 -1.90 -0.01 0.00 -1.71 0.00 0.00 66.02 62.43 2yr3 s SER 34 CO -0.07 0.07 -0.06 0.54 1.20 0.00 0.00 173.24 174.92 2yr3 s VAL 35 N 0.98 0.48 0.12 4.45 0.11 -0.85 -0.08 120.40 125.61 2yr3 s VAL 35 Ca 0.03 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 2yr3 s VAL 35 Cb -0.14 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 2yr3 s VAL 35 CO 0.02 0.11 -0.04 -0.13 -3.33 0.00 0.00 175.10 171.74 2yr3 s ARG 36 N -0.20 0.89 0.00 1.54 0.52 -0.61 -4.50 118.95 116.60 2yr3 s ARG 36 Ca 0.02 -1.38 0.00 0.00 -0.52 0.00 0.00 55.73 53.85 2yr3 s ARG 36 Cb -0.03 -0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.28 2yr3 s ARG 36 CO -0.00 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.66 2yr3 n GLY 37 N -0.08 2.68 3.18 -3.53 0.00 -1.26 -2.22 105.19 103.95 2yr3 n GLY 37 Ca -0.10 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.38 0.74 2.61 2.01 -1.24 -4.09 115.64 113.29 2yr3 s THR 38 Ca 0.00 0.18 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 2yr3 s THR 38 Cb 0.00 -0.57 0.18 0.00 0.01 0.00 0.00 72.50 72.13 2yr3 s THR 38 CO 0.00 0.07 0.66 -0.81 -0.69 0.00 0.00 174.62 173.85 2yr3 n PRO 39 N 5.00 -2.30 -1.73 4.92 -0.04 -1.26 -1.89 135.00 137.70 2yr3 n PRO 39 Ca -0.13 -1.05 -0.42 0.00 -0.04 0.00 0.00 63.50 61.86 2yr3 n PRO 39 Cb 0.51 -0.99 -0.03 0.00 -0.04 0.00 0.00 33.50 32.96 2yr3 n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2yr3 s VAL 40 N -2.19 2.94 1.22 0.52 1.01 -1.26 -4.92 120.40 117.72 2yr3 s VAL 40 Ca 0.43 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 2yr3 s VAL 40 Cb -0.04 -3.08 0.30 0.00 0.00 0.00 0.00 36.38 33.55 2yr3 s VAL 40 CO 0.33 -0.01 1.11 -2.16 0.00 0.00 0.00 175.10 174.37 2yr3 s PRO 41 N 3.84 -1.38 -0.26 2.72 0.04 -1.26 -4.92 135.00 133.76 2yr3 s PRO 41 Ca 0.84 -0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.62 2yr3 s PRO 41 Cb -0.42 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2yr3 s PRO 41 CO 0.38 -3.81 0.31 1.03 0.04 0.00 0.00 177.00 174.95 2yr3 s ARG 42 N -5.45 4.01 -0.50 4.56 3.00 -0.54 -4.87 118.95 119.17 2yr3 s ARG 42 Ca 0.71 -0.07 -0.22 0.00 0.00 0.00 0.00 55.73 56.16 2yr3 s ARG 42 Cb -0.09 -3.64 0.04 0.00 0.00 0.00 0.00 34.95 31.26 2yr3 s ARG 42 CO 0.56 -0.20 0.75 0.42 0.00 0.00 0.00 175.30 176.83 2yr3 s ILE 43 N 1.84 4.68 -0.08 1.52 -1.09 -1.26 -3.68 121.20 123.13 2yr3 s ILE 43 Ca 0.12 0.01 -0.01 0.00 -2.23 0.00 0.00 60.65 58.54 2yr3 s ILE 43 Cb -0.16 -4.36 0.03 0.00 -1.58 0.00 0.00 42.46 36.39 2yr3 s ILE 43 CO 0.10 -0.85 -0.00 -0.89 -1.23 0.00 0.00 174.94 172.06 2yr3 s THR 44 N 3.19 0.43 -0.06 2.92 2.01 -1.18 -4.99 115.64 117.95 2yr3 s THR 44 Ca 0.24 0.04 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 2yr3 s THR 44 Cb -0.15 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 2yr3 s THR 44 CO 0.17 0.23 0.49 0.26 -0.69 0.00 0.00 174.62 175.08 2yr3 s TRP 45 N 1.95 3.62 -0.08 4.92 0.52 -1.26 -0.91 118.94 127.70 2yr3 s TRP 45 Ca 0.05 1.01 0.04 0.00 0.02 0.00 0.00 56.10 57.22 2yr3 s TRP 45 Cb -0.13 -2.51 -0.01 0.00 -1.15 0.00 0.00 33.47 29.68 2yr3 s TRP 45 CO -0.06 0.34 -0.22 -0.51 0.02 0.00 0.00 176.95 176.52 2yr3 s LEU 46 N -0.03 2.24 -0.05 2.99 1.43 -0.53 -2.87 118.68 121.86 2yr3 s LEU 46 Ca 0.27 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 2yr3 s LEU 46 Cb -0.16 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2yr3 s LEU 46 CO 0.13 0.23 -0.15 -0.22 0.23 0.00 0.00 176.35 176.57 2yr3 s LEU 47 N -0.04 1.82 -0.88 1.79 2.96 0.41 -1.35 118.68 123.40 2yr3 s LEU 47 Ca -0.06 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 2yr3 s LEU 47 Cb -0.15 -0.88 0.00 0.00 0.50 0.00 0.00 46.19 45.67 2yr3 s LEU 47 CO 0.05 0.11 0.00 0.59 -1.32 0.00 0.00 176.35 175.77 2yr3 n ASN 48 N 3.37 -2.87 -0.22 3.68 5.03 -1.25 0.53 115.26 123.53 2yr3 n ASN 48 Ca -0.19 0.25 -0.01 0.00 0.87 0.00 0.00 54.58 55.50 2yr3 n ASN 48 Cb 0.53 -2.62 0.00 0.00 -1.02 0.00 0.00 39.78 36.67 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 -0.49 0.53 3.14 7.41 0.00 -1.26 -5.06 105.19 109.45 2yr3 n GLY 49 Ca -0.10 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.34 0.32 0.10 1.61 -2.07 0.19 -5.14 119.66 110.33 2yr3 s GLN 50 Ca 0.00 0.27 -0.31 0.00 -1.82 0.00 0.00 55.36 53.51 2yr3 s GLN 50 Cb -0.00 0.15 -0.08 0.00 -1.09 0.00 0.00 33.01 31.99 2yr3 s GLN 50 CO 0.01 -0.05 1.37 -1.25 -1.32 0.00 0.00 175.29 174.05 2yr3 s PRO 51 N -0.03 4.33 -0.49 9.60 0.04 -1.26 -0.45 135.00 146.74 2yr3 s PRO 51 Ca -0.02 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 2yr3 s PRO 51 Cb -0.02 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.27 2yr3 s PRO 51 CO 0.01 -0.42 1.27 0.42 0.04 0.00 0.00 177.00 178.31 2yr3 s ILE 52 N 1.15 4.02 -0.02 0.56 1.01 -1.14 -4.90 121.20 121.89 2yr3 s ILE 52 Ca 0.64 0.99 -0.25 0.00 0.00 0.00 0.00 60.65 62.03 2yr3 s ILE 52 Cb -0.36 -4.50 -0.20 0.00 0.01 0.00 0.00 42.46 37.42 2yr3 s ILE 52 CO 0.30 -1.04 1.23 1.56 0.00 0.00 0.00 174.94 176.99 2yr3 h GLN 53 N 9.98 0.09 -1.63 2.79 4.20 -1.93 -3.20 115.11 125.41 2yr3 h GLN 53 Ca -0.25 -0.05 -0.30 0.00 0.06 0.00 0.00 58.65 58.10 2yr3 h GLN 53 Cb 1.08 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.74 2yr3 h GLN 53 CO 1.14 0.61 0.35 2.48 -0.67 0.00 0.00 178.83 182.74 2yr3 n TYR 54 N -4.75 1.33 -2.95 2.96 4.11 -1.26 -4.85 117.16 111.76 2yr3 n TYR 54 Ca -0.08 -1.85 -0.44 0.00 -0.00 0.00 0.00 57.90 55.53 2yr3 n TYR 54 Cb 0.31 -0.96 -0.04 0.00 -0.00 0.00 0.00 39.34 38.66 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 -1.53 3.29 -0.33 -3.48 0.00 -1.21 -4.92 121.76 113.57 2yr3 s ALA 55 Ca 0.31 -2.24 -0.06 0.00 0.00 0.00 0.00 51.96 49.96 2yr3 s ALA 55 Cb 0.23 -3.82 -0.20 0.00 0.00 0.00 0.00 23.12 19.32 2yr3 s ALA 55 CO -0.02 -2.72 3.16 0.54 0.00 0.00 0.00 175.76 176.72 2yr3 n ARG 56 N 6.94 2.13 -2.28 0.00 1.74 -1.26 -4.92 116.66 119.00 2yr3 n ARG 56 Ca 0.03 -1.15 -0.39 0.00 -0.77 0.00 0.00 57.85 55.57 2yr3 n ARG 56 Cb 0.46 -2.12 -0.03 0.00 -1.02 0.00 0.00 32.46 29.75 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 2.20 6.75 -0.10 0.55 1.04 -1.26 -4.09 113.70 118.79 2yr3 s SER 57 Ca 0.60 2.42 -0.01 0.00 0.48 0.00 0.00 55.95 59.44 2yr3 s SER 57 Cb 0.26 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.78 2yr3 s SER 57 CO -0.01 -0.52 -0.03 0.42 0.98 0.00 0.00 173.24 174.07 2yr3 s THR 58 N -1.29 0.72 -0.26 2.02 -4.23 0.13 -4.96 115.64 107.77 2yr3 s THR 58 Ca 0.52 -0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.79 2yr3 s THR 58 Cb -0.33 -0.83 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 2yr3 s THR 58 CO 0.43 0.28 0.15 0.00 -0.54 0.00 0.00 174.62 174.93 2yr3 s GLU 60 N 1.55 1.62 -1.61 0.00 2.02 -0.71 -4.81 118.70 116.75 2yr3 s GLU 60 Ca 0.07 -0.36 -0.09 0.00 0.02 0.00 0.00 54.97 54.61 2yr3 s GLU 60 Cb -0.15 -1.43 0.09 0.00 0.10 0.00 0.00 34.13 32.73 2yr3 s GLU 60 CO 0.08 -0.06 0.45 0.00 0.02 0.00 0.00 175.26 175.75 2yr3 n ALA 61 N 4.14 -1.66 -2.50 5.21 0.00 -1.26 0.36 120.51 124.80 2yr3 n ALA 61 Ca -0.20 -0.22 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 2yr3 n ALA 61 Cb 0.51 -2.08 0.01 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.81 0.07 2.82 0.00 0.00 -1.26 -4.99 105.19 100.01 2yr3 n GLY 62 Ca -0.13 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.74 1.53 0.10 1.61 1.01 0.16 -2.00 120.40 120.07 2yr3 s VAL 63 Ca 0.10 -2.12 -0.30 0.00 0.00 0.00 0.00 61.98 59.67 2yr3 s VAL 63 Cb -0.05 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.16 2yr3 s VAL 63 CO 0.13 -0.72 1.09 0.00 0.00 0.00 0.00 175.10 175.59 2yr3 s ALA 64 N 0.93 3.32 -0.00 5.51 0.00 -0.83 -1.75 121.76 128.95 2yr3 s ALA 64 Ca 0.13 0.74 -0.00 0.00 0.00 0.00 0.00 51.96 52.83 2yr3 s ALA 64 Cb -0.20 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.55 2yr3 s ALA 64 CO -0.12 -0.25 0.00 -1.21 0.00 0.00 0.00 175.76 174.18 2yr3 s GLU 65 N 0.34 0.02 -0.37 0.00 2.02 -0.87 -1.01 118.70 118.82 2yr3 s GLU 65 Ca 0.52 -0.02 0.04 0.00 0.02 0.00 0.00 54.97 55.53 2yr3 s GLU 65 Cb -0.27 0.01 0.11 0.00 0.10 0.00 0.00 34.13 34.07 2yr3 s GLU 65 CO 0.31 -0.00 0.09 -1.17 0.02 0.00 0.00 175.26 174.51 2yr3 s LEU 66 N -0.06 4.73 -0.25 1.80 2.96 -0.56 -0.70 118.68 126.61 2yr3 s LEU 66 Ca -0.01 -2.28 -0.29 0.00 -0.22 0.00 0.00 54.13 51.33 2yr3 s LEU 66 Cb -0.00 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 2yr3 s LEU 66 CO -0.00 -0.37 1.46 -1.00 -1.32 0.00 0.00 176.35 175.12 2yr3 s HIS 67 N 0.73 2.40 -0.32 5.38 3.76 -1.26 -2.37 115.29 123.62 2yr3 s HIS 67 Ca 0.12 0.71 0.02 0.00 -0.15 0.00 0.00 55.06 55.75 2yr3 s HIS 67 Cb -0.20 -3.92 0.10 0.00 1.11 0.00 0.00 32.58 29.67 2yr3 s HIS 67 CO -0.07 -2.35 0.05 0.42 -0.85 0.00 0.00 174.74 171.95 2yr3 s ILE 68 N 4.69 1.74 0.48 0.60 -1.09 -0.49 -4.62 121.20 122.51 2yr3 s ILE 68 Ca 0.64 -1.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.15 2yr3 s ILE 68 Cb -0.21 -2.26 0.01 0.00 -1.58 0.00 0.00 42.46 38.42 2yr3 s ILE 68 CO 0.26 -0.56 0.70 0.00 -1.23 0.00 0.00 174.94 174.11 2yr3 s GLN 69 N 1.19 2.92 -1.37 2.79 -2.07 -1.26 -2.21 119.66 119.64 2yr3 s GLN 69 Ca 0.08 -0.56 -0.04 0.00 -1.82 0.00 0.00 55.36 53.02 2yr3 s GLN 69 Cb -0.18 -2.53 0.02 0.00 -1.09 0.00 0.00 33.01 29.23 2yr3 s GLN 69 CO -0.13 -0.40 0.78 -0.25 -1.32 0.00 0.00 175.29 173.97 2yr3 n ASP 70 N -2.16 -2.28 -4.48 12.60 8.00 -1.21 -4.73 116.55 122.29 2yr3 n ASP 70 Ca 0.03 -0.81 -0.43 0.00 0.71 0.00 0.00 54.79 54.30 2yr3 n ASP 70 Cb 0.58 -4.01 -0.10 0.00 -0.02 0.00 0.00 41.12 37.57 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 -4.41 0.52 -2.50 2.24 0.00 -0.95 -4.82 120.51 110.60 2yr3 n ALA 71 Ca -0.20 -0.38 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 2yr3 n ALA 71 Cb 0.63 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 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 9.34 4.06 0.00 0.00 1.43 -1.26 -3.34 118.68 128.91 2yr3 s LEU 72 Ca 1.21 0.74 0.15 0.00 -1.03 0.00 0.00 54.13 55.20 2yr3 s LEU 72 Cb -0.94 -3.55 0.79 0.00 0.03 0.00 0.00 46.19 42.52 2yr3 s LEU 72 CO 0.45 -0.20 1.39 -0.81 0.23 0.00 0.00 176.35 177.41 2yr3 n PRO 73 N -0.91 0.28 -0.00 1.29 -0.04 -1.26 -1.90 135.00 132.46 2yr3 n PRO 73 Ca -0.01 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 2yr3 n PRO 73 Cb 0.54 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.22 1.58 0.04 0.54 0.28 -1.26 -4.39 120.64 116.22 2yr3 n GLU 74 Ca 0.08 -0.02 -0.10 0.00 -0.16 0.00 0.00 57.16 56.96 2yr3 n GLU 74 Cb 0.10 -1.27 -0.13 0.00 1.43 0.00 0.00 31.44 31.57 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 0.12 -1.64 -1.84 3.32 -1.78 -3.47 116.42 111.14 2yr3 h ASP 75 Ca 0.00 -0.17 -0.66 0.00 0.02 0.00 0.00 57.03 56.23 2yr3 h ASP 75 Cb 0.42 -0.04 0.10 0.00 0.22 0.00 0.00 39.33 40.02 2yr3 h ASP 75 CO 0.00 1.14 -0.08 0.00 -1.72 0.00 0.00 179.24 178.57 2yr3 n HIS 76 N -3.31 0.56 0.00 4.55 1.44 -1.23 -4.85 115.22 112.38 2yr3 n HIS 76 Ca -0.09 0.83 0.00 0.00 -2.01 0.00 0.00 57.72 56.45 2yr3 n HIS 76 Cb 1.00 -2.13 0.00 0.00 0.12 0.00 0.00 29.99 28.98 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 1.74 1.33 2.63 -1.39 0.00 -1.26 -5.03 105.19 103.21 2yr3 n GLY 77 Ca 0.15 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 1.20 0.74 0.16 2.61 2.01 -1.26 -3.31 115.64 117.80 2yr3 s THR 78 Ca 0.00 -1.76 -0.30 0.00 0.31 0.00 0.00 61.69 59.95 2yr3 s THR 78 Cb 0.00 -1.54 -0.07 0.00 0.01 0.00 0.00 72.50 70.90 2yr3 s THR 78 CO 0.00 -0.83 1.06 -0.31 -0.69 0.00 0.00 174.62 173.85 2yr3 s TYR 79 N 1.15 3.66 -0.14 4.92 1.51 -1.13 -3.94 117.35 123.38 2yr3 s TYR 79 Ca 0.14 1.66 -0.04 0.00 -1.01 0.00 0.00 57.07 57.82 2yr3 s TYR 79 Cb -0.21 -3.21 0.05 0.00 -0.11 0.00 0.00 41.96 38.48 2yr3 s TYR 79 CO -0.12 -0.37 0.08 0.99 -1.11 0.00 0.00 175.55 175.02 2yr3 s THR 80 N -0.20 -0.08 -0.39 -0.71 2.01 -0.46 -0.95 115.64 114.86 2yr3 s THR 80 Ca 0.49 -0.03 -0.26 0.00 0.31 0.00 0.00 61.69 62.20 2yr3 s THR 80 Cb -0.28 -0.48 0.02 0.00 0.01 0.00 0.00 72.50 71.77 2yr3 s THR 80 CO 0.33 -0.17 0.92 0.00 -0.69 0.00 0.00 174.62 175.01 2yr3 s LEU 82 N 3.54 4.89 -0.38 0.00 2.96 -0.08 -3.14 118.68 126.48 2yr3 s LEU 82 Ca 0.38 -0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2yr3 s LEU 82 Cb -0.11 -2.42 0.09 0.00 0.50 0.00 0.00 46.19 44.24 2yr3 s LEU 82 CO 0.21 -0.66 0.15 0.00 -1.32 0.00 0.00 176.35 174.73 2yr3 s ALA 83 N 2.25 3.06 0.09 5.97 0.00 -0.61 -3.08 121.76 129.45 2yr3 s ALA 83 Ca 0.13 -2.27 0.07 0.00 0.00 0.00 0.00 51.96 49.90 2yr3 s ALA 83 Cb -0.18 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 2yr3 s ALA 83 CO 0.13 -1.63 -0.19 -1.83 0.00 0.00 0.00 175.76 172.25 2yr3 s GLU 84 N 1.20 1.05 0.16 0.00 -1.05 -1.25 -1.92 118.70 116.89 2yr3 s GLU 84 Ca 0.04 -1.07 0.02 0.00 -0.15 0.00 0.00 54.97 53.81 2yr3 s GLU 84 Cb -0.22 -1.23 -0.01 0.00 -0.44 0.00 0.00 34.13 32.23 2yr3 s GLU 84 CO -0.03 0.29 0.09 0.27 0.95 0.00 0.00 175.26 176.83 2yr3 n ASN 85 N 1.23 0.44 0.00 0.83 0.23 -0.13 -1.46 115.26 116.39 2yr3 n ASN 85 Ca -0.20 -1.91 0.06 0.00 -0.53 0.00 0.00 54.58 52.00 2yr3 n ASN 85 Cb 0.54 0.55 0.33 0.00 -2.08 0.00 0.00 39.78 39.12 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 1.84 -0.62 -2.53 0.00 -1.26 -3.87 120.51 111.94 2yr3 n ALA 86 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2yr3 n ALA 86 Cb 0.25 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -5.12 117.00 113.82 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 0.06 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 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 2.69 5.68 3.62 -0.72 0.00 -1.25 -5.01 105.19 110.20 2yr3 n GLY 88 Ca 0.00 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.69 0.77 0.05 1.61 -2.07 -1.26 -0.95 119.66 117.11 2yr3 s GLN 89 Ca 0.00 1.09 -0.01 0.00 -1.82 0.00 0.00 55.36 54.63 2yr3 s GLN 89 Cb 0.00 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 32.16 2yr3 s GLN 89 CO 0.00 -0.12 -0.03 0.14 -1.32 0.00 0.00 175.29 173.95 2yr3 s VAL 90 N 0.98 0.24 -0.15 3.63 -7.23 -0.81 -4.98 120.40 112.08 2yr3 s VAL 90 Ca -0.05 -1.79 -0.11 0.00 -1.81 0.00 0.00 61.98 58.22 2yr3 s VAL 90 Cb -0.05 -1.49 0.05 0.00 0.56 0.00 0.00 36.38 35.44 2yr3 s VAL 90 CO -0.09 -0.98 0.39 -0.94 -0.31 0.00 0.00 175.10 173.17 2yr3 s SER 91 N -2.88 -0.44 -0.09 4.85 1.04 -1.26 -1.57 113.70 113.35 2yr3 s SER 91 Ca 0.07 0.81 0.01 0.00 0.48 0.00 0.00 55.95 57.32 2yr3 s SER 91 Cb 0.07 0.76 0.02 0.00 0.10 0.00 0.00 66.02 66.98 2yr3 s SER 91 CO -0.09 -0.16 -0.10 0.00 0.98 0.00 0.00 173.24 173.87 2yr3 s SER 93 N 1.14 5.67 -0.05 0.00 1.04 -1.26 -2.34 113.70 117.90 2yr3 s SER 93 Ca -0.06 -0.16 -0.23 0.00 0.48 0.00 0.00 55.95 55.99 2yr3 s SER 93 Cb -0.14 -0.99 0.05 0.00 0.10 0.00 0.00 66.02 65.04 2yr3 s SER 93 CO -0.02 -0.76 0.51 0.00 0.98 0.00 0.00 173.24 173.95 2yr3 s ALA 94 N -2.43 -1.30 -0.37 5.32 0.00 -0.13 -4.69 121.76 118.16 2yr3 s ALA 94 Ca 0.52 0.91 -0.09 0.00 0.00 0.00 0.00 51.96 53.30 2yr3 s ALA 94 Cb -0.10 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.01 2yr3 s ALA 94 CO 0.35 -0.31 0.19 -0.46 0.00 0.00 0.00 175.76 175.52 2yr3 s TRP 95 N -1.11 3.27 -0.13 0.00 -0.11 -1.26 -2.83 118.94 116.77 2yr3 s TRP 95 Ca -0.11 -1.24 -0.06 0.00 1.22 0.00 0.00 56.10 55.91 2yr3 s TRP 95 Cb -0.03 -2.50 -0.04 0.00 -1.50 0.00 0.00 33.47 29.40 2yr3 s TRP 95 CO 0.07 -0.72 0.08 0.08 -4.62 0.00 0.00 176.95 171.84 2yr3 s VAL 96 N 1.47 4.99 -0.04 5.86 1.01 -1.21 -3.44 120.40 129.04 2yr3 s VAL 96 Ca 0.01 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.07 2yr3 s VAL 96 Cb -0.20 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 2yr3 s VAL 96 CO 0.04 0.57 -0.22 -0.89 0.00 0.00 0.00 175.10 174.60 2yr3 s THR 97 N -0.56 1.75 -0.35 3.92 2.01 -0.85 -4.01 115.64 117.55 2yr3 s THR 97 Ca 0.11 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 2yr3 s THR 97 Cb -0.12 -1.47 0.06 0.00 0.01 0.00 0.00 72.50 70.98 2yr3 s THR 97 CO 0.02 0.49 0.11 -0.69 -0.69 0.00 0.00 174.62 173.86 2yr3 s VAL 98 N -0.27 3.52 -1.41 3.82 1.01 -1.26 -2.06 120.40 123.75 2yr3 s VAL 98 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2yr3 s VAL 98 Cb -0.11 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.18 2yr3 s VAL 98 CO 0.01 -0.28 0.35 1.41 0.00 0.00 0.00 175.10 176.59