#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 3.99 -0.58 1.61 0.01 -1.26 -5.04 113.70 112.43 2yr3 s SER 2 Ca 0.00 -0.70 -0.27 0.00 1.31 0.00 0.00 55.95 56.29 2yr3 s SER 2 Cb 0.00 -0.56 -0.10 0.00 0.21 0.00 0.00 66.02 65.57 2yr3 s SER 2 CO 0.00 0.10 2.46 -0.24 0.41 0.00 0.00 173.24 175.97 2yr3 n SER 3 N -0.02 1.96 -4.65 2.44 2.88 -1.26 -4.91 113.62 110.06 2yr3 n SER 3 Ca -0.10 -0.45 -0.39 0.00 -1.33 0.00 0.00 58.87 56.60 2yr3 n SER 3 Cb 0.56 -1.48 -0.07 0.00 -0.75 0.00 0.00 64.21 62.47 2yr3 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yr3 s GLY 4 N 11.65 2.02 -0.18 0.46 0.00 -1.26 -4.96 107.32 115.06 2yr3 s GLY 4 Ca 1.04 -0.47 -0.19 0.00 0.00 0.00 0.00 44.72 45.10 2yr3 s GLY 4 CO 0.29 1.07 0.30 0.23 0.00 0.00 0.00 173.10 174.99 2yr3 h SER 5 N 7.58 0.12 -3.34 1.64 0.87 -2.08 -3.48 113.55 114.85 2yr3 h SER 5 Ca -0.33 -0.65 -0.31 0.00 -1.23 0.00 0.00 61.79 59.27 2yr3 h SER 5 Cb 1.15 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 2yr3 h SER 5 CO 0.73 1.55 -0.39 -1.20 -0.53 0.00 0.00 176.83 176.98 2yr3 n SER 6 N -4.22 -4.63 -4.54 6.23 7.64 -1.26 -4.87 113.62 107.97 2yr3 n SER 6 Ca -0.30 0.14 -0.41 0.00 1.01 0.00 0.00 58.87 59.30 2yr3 n SER 6 Cb 0.76 -3.92 -0.03 0.00 -1.01 0.00 0.00 64.21 60.01 2yr3 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yr3 s GLY 7 N -2.06 1.24 0.35 0.23 0.00 -1.26 -4.99 107.32 100.83 2yr3 s GLY 7 Ca 0.00 -2.04 -0.28 0.00 0.00 0.00 0.00 44.72 42.40 2yr3 s GLY 7 CO 0.00 2.56 1.26 1.15 0.00 0.00 0.00 173.10 178.07 2yr3 n MET 8 N 8.67 2.03 -0.69 2.90 -0.00 -1.26 -4.98 117.12 123.79 2yr3 n MET 8 Ca 0.21 0.71 -0.24 0.00 -0.00 0.00 0.00 57.70 58.38 2yr3 n MET 8 Cb 0.50 -2.29 0.21 0.00 -0.00 0.00 0.00 33.22 31.64 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 0.50 -3.06 -3.94 3.17 1.02 -1.26 -5.07 120.64 111.99 2yr3 n GLU 9 Ca 0.05 -1.35 -0.10 0.00 -0.02 0.00 0.00 57.16 55.75 2yr3 n GLU 9 Cb 0.36 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.43 0.12 0.56 2.62 1.01 0.03 -4.95 120.40 117.35 2yr3 s VAL 10 Ca 0.56 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 2yr3 s VAL 10 Cb -0.06 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 2yr3 s VAL 10 CO 0.44 -0.54 0.89 0.00 0.00 0.00 0.00 175.10 175.89 2yr3 s ALA 11 N -2.02 3.28 0.10 5.51 0.00 -1.26 -2.09 121.76 125.29 2yr3 s ALA 11 Ca -0.10 -0.49 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 2yr3 s ALA 11 Cb -0.05 -2.70 -0.08 0.00 0.00 0.00 0.00 23.12 20.29 2yr3 s ALA 11 CO -0.02 -0.62 1.37 -1.25 0.00 0.00 0.00 175.76 175.24 2yr3 s PRO 12 N -4.94 4.33 0.01 0.00 0.04 -1.26 -4.43 135.00 128.75 2yr3 s PRO 12 Ca 0.52 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.48 2yr3 s PRO 12 Cb -0.11 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.17 2yr3 s PRO 12 CO 0.47 -0.42 0.22 -1.12 0.04 0.00 0.00 177.00 176.19 2yr3 s SER 13 N 1.13 -0.05 -0.57 6.66 0.01 -0.74 -4.59 113.70 115.55 2yr3 s SER 13 Ca 0.64 -0.18 -0.08 0.00 1.31 0.00 0.00 55.95 57.64 2yr3 s SER 13 Cb -0.36 0.28 0.15 0.00 0.21 0.00 0.00 66.02 66.30 2yr3 s SER 13 CO 0.30 -0.48 0.44 -0.36 0.41 0.00 0.00 173.24 173.55 2yr3 s PHE 14 N -1.88 3.49 0.22 2.43 0.08 -1.26 -1.85 117.98 119.20 2yr3 s PHE 14 Ca -0.10 -2.15 -0.08 0.00 0.12 0.00 0.00 56.93 54.72 2yr3 s PHE 14 Cb -0.04 -3.46 0.25 0.00 -0.57 0.00 0.00 43.02 39.20 2yr3 s PHE 14 CO 0.00 -0.95 1.84 0.77 -0.10 0.00 0.00 175.22 176.78 2yr3 h SER 15 N 7.93 0.71 -3.07 1.36 0.02 -1.35 -3.37 113.55 115.78 2yr3 h SER 15 Ca -0.10 0.01 -0.58 0.00 -0.84 0.00 0.00 61.79 60.29 2yr3 h SER 15 Cb 1.03 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 63.04 2yr3 h SER 15 CO 0.80 0.47 -0.77 -0.44 -1.14 0.00 0.00 176.83 175.74 2yr3 s SER 16 N -5.71 3.65 0.56 3.07 0.01 -0.85 -4.95 113.70 109.48 2yr3 s SER 16 Ca -0.13 -1.93 -0.20 0.00 1.31 0.00 0.00 55.95 55.00 2yr3 s SER 16 Cb 0.16 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.62 2yr3 s SER 16 CO 0.77 -0.36 1.27 0.68 0.41 0.00 0.00 173.24 176.01 2yr3 s VAL 17 N 1.28 2.41 0.93 3.43 -7.23 -1.26 -1.95 120.40 118.01 2yr3 s VAL 17 Ca 0.13 0.28 -0.12 0.00 -1.81 0.00 0.00 61.98 60.47 2yr3 s VAL 17 Cb -0.20 -3.13 0.08 0.00 0.56 0.00 0.00 36.38 33.69 2yr3 s VAL 17 CO -0.16 -0.03 0.71 0.18 -0.31 0.00 0.00 175.10 175.50 2yr3 n LEU 18 N -1.25 1.29 -4.13 1.32 4.77 -1.26 -4.93 117.00 112.81 2yr3 n LEU 18 Ca 0.12 0.38 -0.14 0.00 -0.03 0.00 0.00 56.01 56.34 2yr3 n LEU 18 Cb 0.47 -1.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.13 2yr3 n LEU 18 CO 0.48 -3.01 -0.41 -0.54 -1.33 0.00 0.00 177.39 172.58 2yr3 s LYS 19 N -3.99 0.72 0.32 3.23 -0.14 -1.26 -4.95 119.74 113.68 2yr3 s LYS 19 Ca 0.61 -1.00 -0.27 0.00 -1.36 0.00 0.00 55.97 53.96 2yr3 s LYS 19 Cb -0.23 -0.45 -0.13 0.00 -1.68 0.00 0.00 37.83 35.34 2yr3 s LYS 19 CO 0.63 0.07 1.00 -0.40 -0.76 0.00 0.00 175.35 175.89 2yr3 n ASP 20 N 0.94 1.24 -3.82 2.83 5.75 -1.26 -4.82 116.55 117.41 2yr3 n ASP 20 Ca -0.19 1.14 -0.11 0.00 -0.01 0.00 0.00 54.79 55.61 2yr3 n ASP 20 Cb 0.56 -1.30 -0.09 0.00 -1.03 0.00 0.00 41.12 39.26 2yr3 n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2yr3 s ALA 22 N -1.89 2.36 -0.01 0.00 0.00 -1.26 -1.58 121.76 119.38 2yr3 s ALA 22 Ca -0.10 -1.50 -0.15 0.00 0.00 0.00 0.00 51.96 50.20 2yr3 s ALA 22 Cb -0.04 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.76 2yr3 s ALA 22 CO -0.00 0.48 0.32 0.54 0.00 0.00 0.00 175.76 177.10 2yr3 s VAL 23 N -1.30 0.06 0.27 0.00 0.11 -0.39 -4.97 120.40 114.18 2yr3 s VAL 23 Ca 0.15 -0.48 -0.16 0.00 -2.93 0.00 0.00 61.98 58.57 2yr3 s VAL 23 Cb -0.09 -0.66 -0.08 0.00 -1.53 0.00 0.00 36.38 34.02 2yr3 s VAL 23 CO 0.07 -0.26 0.70 -0.63 -3.33 0.00 0.00 175.10 171.65 2yr3 s ILE 24 N -1.44 4.68 -0.32 7.04 1.01 -1.26 0.12 121.20 131.03 2yr3 s ILE 24 Ca -0.13 1.00 -0.33 0.00 0.00 0.00 0.00 60.65 61.19 2yr3 s ILE 24 Cb -0.05 -3.70 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 2yr3 s ILE 24 CO 0.04 -0.02 2.21 1.21 0.00 0.00 0.00 174.94 178.38 2yr3 n GLU 25 N 0.09 1.28 0.00 2.79 2.13 -1.06 -0.01 120.64 125.86 2yr3 n GLU 25 Ca 0.01 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2yr3 n GLU 25 Cb 0.52 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.57 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 6.36 2.34 3.31 8.31 0.00 -0.75 -4.97 105.19 119.80 2yr3 n GLY 26 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.18 -2.87 0.02 1.61 -1.52 0.98 -3.54 119.66 114.17 2yr3 s GLN 27 Ca 0.00 0.14 0.08 0.00 -1.95 0.00 0.00 55.36 53.63 2yr3 s GLN 27 Cb 0.00 -1.38 -0.02 0.00 -0.22 0.00 0.00 33.01 31.38 2yr3 s GLN 27 CO 0.00 -4.84 -0.24 -0.51 -0.25 0.00 0.00 175.29 169.46 2yr3 s ASP 28 N -3.16 2.81 -0.18 5.90 1.01 -1.26 -2.16 116.67 119.63 2yr3 s ASP 28 Ca 0.69 -0.51 -0.13 0.00 0.71 0.00 0.00 52.55 53.30 2yr3 s ASP 28 Cb -0.13 -0.27 0.06 0.00 1.01 0.00 0.00 42.92 43.59 2yr3 s ASP 28 CO 0.58 0.24 0.47 0.72 0.21 0.00 0.00 175.17 177.38 2yr3 s PHE 29 N -0.72 -0.61 -0.25 4.23 -0.12 -1.12 -5.01 117.98 114.39 2yr3 s PHE 29 Ca 0.10 1.36 0.02 0.00 -0.05 0.00 0.00 56.93 58.36 2yr3 s PHE 29 Cb -0.09 0.26 0.06 0.00 -0.63 0.00 0.00 43.02 42.62 2yr3 s PHE 29 CO 0.01 -0.32 -0.08 0.54 -0.05 0.00 0.00 175.22 175.32 2yr3 s VAL 30 N 0.91 1.84 -0.26 -2.49 0.11 -1.26 -2.04 120.40 117.21 2yr3 s VAL 30 Ca -0.05 -1.41 -0.28 0.00 -2.93 0.00 0.00 61.98 57.30 2yr3 s VAL 30 Cb -0.06 -2.03 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 2yr3 s VAL 30 CO -0.07 -0.05 1.89 -0.76 -3.33 0.00 0.00 175.10 172.77 2yr3 s LEU 31 N 1.25 3.60 -0.17 2.54 1.43 -1.16 -4.75 118.68 121.42 2yr3 s LEU 31 Ca -0.07 1.58 -0.07 0.00 -1.03 0.00 0.00 54.13 54.54 2yr3 s LEU 31 Cb -0.19 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 2yr3 s LEU 31 CO -0.06 -1.67 0.07 -1.58 0.23 0.00 0.00 176.35 173.34 2yr3 s GLN 32 N 5.61 3.85 0.13 1.70 0.74 -1.26 -2.65 119.66 127.79 2yr3 s GLN 32 Ca 0.84 -0.32 -0.02 0.00 0.05 0.00 0.00 55.36 55.91 2yr3 s GLN 32 Cb -0.27 -3.18 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 2yr3 s GLN 32 CO 0.34 0.36 0.09 0.00 -0.55 0.00 0.00 175.29 175.53 2yr3 s SER 34 N -3.03 4.95 -0.08 0.00 0.15 -0.82 -2.00 113.70 112.86 2yr3 s SER 34 Ca 0.23 -0.61 -0.00 0.00 0.70 0.00 0.00 55.95 56.27 2yr3 s SER 34 Cb 0.07 -1.85 0.02 0.00 -1.71 0.00 0.00 66.02 62.55 2yr3 s SER 34 CO 0.01 -0.14 -0.04 0.54 1.20 0.00 0.00 173.24 174.81 2yr3 s VAL 35 N 1.50 0.69 0.21 4.45 0.11 0.12 -0.83 120.40 126.66 2yr3 s VAL 35 Ca 0.03 -0.11 0.11 0.00 -2.93 0.00 0.00 61.98 59.08 2yr3 s VAL 35 Cb -0.16 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2yr3 s VAL 35 CO 0.01 0.30 -0.19 -0.13 -3.33 0.00 0.00 175.10 171.76 2yr3 s ARG 36 N 1.63 1.69 0.00 1.54 0.52 -0.77 -4.24 118.95 119.32 2yr3 s ARG 36 Ca 0.01 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 53.72 2yr3 s ARG 36 Cb -0.13 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.43 2yr3 s ARG 36 CO -0.05 0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.08 2yr3 n GLY 37 N 0.04 2.87 2.82 -3.53 0.00 -1.26 -1.79 105.19 104.34 2yr3 n GLY 37 Ca -0.11 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.50 0.48 0.95 2.61 2.01 -0.89 -2.83 115.64 116.47 2yr3 s THR 38 Ca 0.00 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 2yr3 s THR 38 Cb 0.00 -0.58 0.16 0.00 0.01 0.00 0.00 72.50 72.09 2yr3 s THR 38 CO 0.00 0.26 1.09 -2.16 -0.69 0.00 0.00 174.62 173.12 2yr3 s PRO 39 N 1.59 0.78 -0.25 4.92 0.04 -1.26 -0.79 135.00 140.03 2yr3 s PRO 39 Ca -0.00 0.66 -0.39 0.00 0.04 0.00 0.00 61.00 61.30 2yr3 s PRO 39 Cb -0.13 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.49 2yr3 s PRO 39 CO -0.04 -2.53 1.74 0.28 0.04 0.00 0.00 177.00 176.50 2yr3 n VAL 40 N -4.06 0.32 -1.25 -0.36 0.31 -1.13 -4.83 118.33 107.33 2yr3 n VAL 40 Ca 0.06 -0.06 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 2yr3 n VAL 40 Cb 0.56 -1.28 0.09 0.00 -0.91 0.00 0.00 33.84 32.31 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 3.48 2.20 -0.06 5.55 0.04 -1.26 -4.91 135.00 140.03 2yr3 s PRO 41 Ca 0.97 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 2yr3 s PRO 41 Cb -1.03 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 2yr3 s PRO 41 CO 0.64 -1.68 1.18 1.03 0.04 0.00 0.00 177.00 178.20 2yr3 s ARG 42 N -4.90 4.36 -0.36 4.56 3.00 -0.76 -4.82 118.95 120.03 2yr3 s ARG 42 Ca 0.61 1.64 -0.12 0.00 0.00 0.00 0.00 55.73 57.87 2yr3 s ARG 42 Cb -0.17 -3.55 0.01 0.00 0.00 0.00 0.00 34.95 31.23 2yr3 s ARG 42 CO 0.56 -0.43 0.21 0.42 0.00 0.00 0.00 175.30 176.06 2yr3 s ILE 43 N 2.18 4.81 -0.03 1.52 -1.09 -1.26 -3.64 121.20 123.69 2yr3 s ILE 43 Ca 0.55 -0.60 0.01 0.00 -2.23 0.00 0.00 60.65 58.38 2yr3 s ILE 43 Cb -0.24 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.08 2yr3 s ILE 43 CO 0.22 -0.13 -0.01 -0.89 -1.23 0.00 0.00 174.94 172.90 2yr3 s THR 44 N 1.62 0.27 -0.15 2.92 2.01 -1.19 -5.01 115.64 116.11 2yr3 s THR 44 Ca 0.04 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 2yr3 s THR 44 Cb -0.18 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 2yr3 s THR 44 CO 0.08 0.15 0.04 0.26 -0.69 0.00 0.00 174.62 174.46 2yr3 s TRP 45 N 0.86 3.22 0.04 4.92 0.52 -1.26 -2.09 118.94 125.14 2yr3 s TRP 45 Ca -0.09 0.07 0.03 0.00 0.02 0.00 0.00 56.10 56.13 2yr3 s TRP 45 Cb -0.12 -1.98 -0.02 0.00 -1.15 0.00 0.00 33.47 30.20 2yr3 s TRP 45 CO -0.01 0.24 -0.10 -0.51 0.02 0.00 0.00 176.95 176.59 2yr3 s LEU 46 N -0.05 2.19 -0.88 2.99 1.02 -0.68 -0.23 118.68 123.04 2yr3 s LEU 46 Ca 0.05 -0.45 -0.14 0.00 0.02 0.00 0.00 54.13 53.61 2yr3 s LEU 46 Cb -0.12 -0.35 0.22 0.00 0.02 0.00 0.00 46.19 45.95 2yr3 s LEU 46 CO 0.01 -0.07 0.86 -0.22 0.02 0.00 0.00 176.35 176.95 2yr3 s LEU 47 N -1.21 6.54 -1.27 1.79 2.96 -1.11 -0.93 118.68 125.44 2yr3 s LEU 47 Ca -0.03 -2.77 -0.01 0.00 -0.22 0.00 0.00 54.13 51.09 2yr3 s LEU 47 Cb -0.08 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.39 2yr3 s LEU 47 CO 0.01 -0.58 0.02 -0.46 -1.32 0.00 0.00 176.35 174.02 2yr3 n ASN 48 N 4.03 0.70 0.00 3.68 6.94 -0.69 -4.35 115.26 125.58 2yr3 n ASN 48 Ca 0.17 -1.04 0.00 0.00 -0.02 0.00 0.00 54.58 53.68 2yr3 n ASN 48 Cb 0.46 -1.30 0.00 0.00 -2.36 0.00 0.00 39.78 36.58 2yr3 n ASN 48 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2yr3 n GLY 49 N -2.25 -1.04 3.94 4.83 0.00 -1.26 -5.06 105.19 104.34 2yr3 n GLY 49 Ca -0.26 0.56 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 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 3.51 0.34 1.61 -0.21 -1.26 -4.98 119.66 118.67 2yr3 s GLN 50 Ca 0.00 -0.32 -0.28 0.00 0.02 0.00 0.00 55.36 54.78 2yr3 s GLN 50 Cb 0.00 -2.71 -0.09 0.00 1.00 0.00 0.00 33.01 31.20 2yr3 s GLN 50 CO 0.00 0.23 1.21 -1.25 -2.12 0.00 0.00 175.29 173.36 2yr3 s PRO 51 N -4.00 4.32 0.30 2.91 0.04 -1.26 -2.74 135.00 134.57 2yr3 s PRO 51 Ca 0.40 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 63.15 2yr3 s PRO 51 Cb -0.10 -2.97 -0.10 0.00 0.04 0.00 0.00 34.50 31.37 2yr3 s PRO 51 CO 0.33 -0.14 1.36 0.42 0.04 0.00 0.00 177.00 179.02 2yr3 s ILE 52 N -1.23 2.70 -0.13 0.56 1.01 0.68 -4.94 121.20 119.85 2yr3 s ILE 52 Ca 0.50 0.65 -0.15 0.00 0.00 0.00 0.00 60.65 61.65 2yr3 s ILE 52 Cb -0.35 -3.41 -0.25 0.00 0.01 0.00 0.00 42.46 38.45 2yr3 s ILE 52 CO 0.46 0.13 0.44 1.56 0.00 0.00 0.00 174.94 177.53 2yr3 h GLN 53 N 4.04 0.19 -1.89 2.79 1.08 -1.94 -3.37 115.11 116.01 2yr3 h GLN 53 Ca -0.48 -0.32 -0.56 0.00 -1.45 0.00 0.00 58.65 55.84 2yr3 h GLN 53 Cb 1.22 0.12 -0.20 0.00 -0.05 0.00 0.00 27.48 28.57 2yr3 h GLN 53 CO 0.70 1.15 0.59 2.48 -0.95 0.00 0.00 178.83 182.81 2yr3 n TYR 54 N -3.96 2.04 -3.28 2.96 4.11 -1.26 -4.90 117.16 112.87 2yr3 n TYR 54 Ca -0.28 -2.11 -0.44 0.00 -0.00 0.00 0.00 57.90 55.07 2yr3 n TYR 54 Cb 0.87 -1.29 -0.07 0.00 -0.00 0.00 0.00 39.34 38.85 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 -2.45 3.49 -0.21 -3.48 0.00 -1.26 -4.94 121.76 112.91 2yr3 s ALA 55 Ca 0.55 -1.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 2yr3 s ALA 55 Cb 0.39 -3.20 0.09 0.00 0.00 0.00 0.00 23.12 20.40 2yr3 s ALA 55 CO -0.24 -1.87 2.24 0.54 0.00 0.00 0.00 175.76 176.43 2yr3 n ARG 56 N 5.63 1.65 -2.17 0.00 1.74 -1.26 -4.94 116.66 117.30 2yr3 n ARG 56 Ca -0.10 -1.13 -0.38 0.00 -0.77 0.00 0.00 57.85 55.46 2yr3 n ARG 56 Cb 0.44 -1.52 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.90 6.25 -0.10 0.55 1.04 -1.26 -4.40 113.70 116.69 2yr3 s SER 57 Ca 0.28 2.46 -0.03 0.00 0.48 0.00 0.00 55.95 59.14 2yr3 s SER 57 Cb 0.19 -2.62 0.04 0.00 0.10 0.00 0.00 66.02 63.74 2yr3 s SER 57 CO -0.03 -0.87 0.06 0.42 0.98 0.00 0.00 173.24 173.80 2yr3 s THR 58 N -1.40 0.00 -0.27 2.02 -4.23 -0.39 -4.96 115.64 106.42 2yr3 s THR 58 Ca 0.60 0.11 -0.12 0.00 -1.18 0.00 0.00 61.69 61.10 2yr3 s THR 58 Cb -0.33 -0.41 -0.05 0.00 1.34 0.00 0.00 72.50 73.05 2yr3 s THR 58 CO 0.41 -0.00 0.24 0.00 -0.54 0.00 0.00 174.62 174.73 2yr3 s GLU 60 N 1.77 1.18 -1.33 0.00 2.02 -0.90 -4.78 118.70 116.66 2yr3 s GLU 60 Ca 0.10 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.46 2yr3 s GLU 60 Cb -0.16 -1.12 0.13 0.00 0.10 0.00 0.00 34.13 33.08 2yr3 s GLU 60 CO 0.10 0.28 0.50 0.00 0.02 0.00 0.00 175.26 176.16 2yr3 n ALA 61 N 2.83 -1.13 -2.13 5.21 0.00 -1.26 0.12 120.51 124.15 2yr3 n ALA 61 Ca -0.15 -0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.21 2yr3 n ALA 61 Cb 0.55 -2.48 -0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 -1.07 0.17 2.85 0.00 0.00 -1.26 -4.95 105.19 100.92 2yr3 n GLY 62 Ca 0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.30 1.95 0.14 1.61 1.01 0.32 0.16 120.40 123.29 2yr3 s VAL 63 Ca 0.01 -2.76 -0.30 0.00 0.00 0.00 0.00 61.98 58.92 2yr3 s VAL 63 Cb -0.00 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.93 2yr3 s VAL 63 CO 0.01 -0.81 1.19 0.00 0.00 0.00 0.00 175.10 175.49 2yr3 s ALA 64 N 0.24 3.42 0.02 5.51 0.00 -0.85 -2.13 121.76 127.98 2yr3 s ALA 64 Ca 0.16 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.03 2yr3 s ALA 64 Cb -0.24 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 2yr3 s ALA 64 CO -0.03 -0.37 -0.04 -1.21 0.00 0.00 0.00 175.76 174.11 2yr3 s GLU 65 N 0.21 0.36 -0.30 0.00 2.02 -1.12 -1.34 118.70 118.52 2yr3 s GLU 65 Ca 0.55 -0.63 -0.02 0.00 0.02 0.00 0.00 54.97 54.89 2yr3 s GLU 65 Cb -0.31 0.00 0.10 0.00 0.10 0.00 0.00 34.13 34.02 2yr3 s GLU 65 CO 0.34 -0.02 0.10 -1.17 0.02 0.00 0.00 175.26 174.53 2yr3 s LEU 66 N -1.44 1.64 -0.10 1.80 2.96 -1.08 -1.26 118.68 121.20 2yr3 s LEU 66 Ca -0.14 -1.48 -0.30 0.00 -0.22 0.00 0.00 54.13 51.99 2yr3 s LEU 66 Cb -0.10 -0.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 2yr3 s LEU 66 CO -0.01 -0.42 1.26 -1.00 -1.32 0.00 0.00 176.35 174.87 2yr3 s HIS 67 N 1.79 2.97 -0.33 5.38 3.76 -1.26 -2.99 115.29 124.61 2yr3 s HIS 67 Ca 0.09 1.05 0.02 0.00 -0.15 0.00 0.00 55.06 56.07 2yr3 s HIS 67 Cb -0.17 -3.50 0.10 0.00 1.11 0.00 0.00 32.58 30.13 2yr3 s HIS 67 CO -0.28 -1.67 0.08 0.42 -0.85 0.00 0.00 174.74 172.44 2yr3 s ILE 68 N 2.84 1.56 0.34 0.60 -1.09 -0.87 -4.61 121.20 119.98 2yr3 s ILE 68 Ca 0.57 -1.90 -0.07 0.00 -2.23 0.00 0.00 60.65 57.02 2yr3 s ILE 68 Cb -0.24 -2.16 -0.06 0.00 -1.58 0.00 0.00 42.46 38.42 2yr3 s ILE 68 CO 0.19 -0.65 0.64 0.00 -1.23 0.00 0.00 174.94 173.90 2yr3 s GLN 69 N 1.22 3.69 -1.21 2.79 -2.07 -1.26 -2.79 119.66 120.03 2yr3 s GLN 69 Ca 0.11 0.20 -0.07 0.00 -1.82 0.00 0.00 55.36 53.77 2yr3 s GLN 69 Cb -0.18 -2.54 0.01 0.00 -1.09 0.00 0.00 33.01 29.20 2yr3 s GLN 69 CO -0.16 0.11 1.06 -0.25 -1.32 0.00 0.00 175.29 174.73 2yr3 n ASP 70 N -1.09 -5.61 -4.45 12.60 8.00 -1.18 -4.79 116.55 120.04 2yr3 n ASP 70 Ca -0.00 -0.49 -0.46 0.00 0.71 0.00 0.00 54.79 54.55 2yr3 n ASP 70 Cb 0.54 -4.61 -0.11 0.00 -0.02 0.00 0.00 41.12 36.92 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 -4.69 0.48 -2.28 2.24 0.00 -0.92 -4.56 120.51 110.79 2yr3 n ALA 71 Ca -0.02 -0.25 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 2yr3 n ALA 71 Cb 0.56 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 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 8.63 3.84 0.46 0.00 1.43 -1.26 -1.80 118.68 129.99 2yr3 s LEU 72 Ca 1.23 1.00 0.31 0.00 -1.03 0.00 0.00 54.13 55.63 2yr3 s LEU 72 Cb -1.08 -3.88 1.28 0.00 0.03 0.00 0.00 46.19 42.55 2yr3 s LEU 72 CO 0.49 -0.39 1.91 1.55 0.23 0.00 0.00 176.35 180.14 2yr3 h PRO 73 N 1.15 0.00 -0.01 1.29 0.13 -1.90 -2.35 132.00 130.31 2yr3 h PRO 73 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2yr3 h PRO 73 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2yr3 h PRO 73 CO 0.64 0.00 -0.47 -0.85 -0.23 0.00 0.00 178.00 177.09 2yr3 n GLU 74 N -2.82 0.62 0.03 0.86 0.28 -1.26 -4.06 120.64 114.30 2yr3 n GLU 74 Ca 0.01 -0.43 -0.14 0.00 -0.16 0.00 0.00 57.16 56.44 2yr3 n GLU 74 Cb 0.27 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 31.51 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 1.06 0.24 -2.02 -1.84 3.58 -1.81 -3.47 116.42 112.16 2yr3 h ASP 75 Ca 0.00 -0.38 -0.62 0.00 0.42 0.00 0.00 57.03 56.45 2yr3 h ASP 75 Cb 0.56 -0.08 0.12 0.00 1.72 0.00 0.00 39.33 41.65 2yr3 h ASP 75 CO 0.00 1.32 -0.19 0.00 -2.88 0.00 0.00 179.24 177.49 2yr3 n HIS 76 N -3.33 0.34 0.00 0.28 1.44 -1.22 -4.83 115.22 107.90 2yr3 n HIS 76 Ca -0.16 0.76 0.00 0.00 -2.01 0.00 0.00 57.72 56.30 2yr3 n HIS 76 Cb 1.03 -2.10 0.00 0.00 0.12 0.00 0.00 29.99 29.04 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 -0.44 2.68 -1.39 0.00 -1.23 -5.04 105.19 101.35 2yr3 n GLY 77 Ca 0.12 0.37 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.65 -0.09 2.61 2.01 -1.26 -2.72 115.64 116.84 2yr3 s THR 78 Ca 0.00 -1.26 -0.30 0.00 0.31 0.00 0.00 61.69 60.44 2yr3 s THR 78 Cb 0.00 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 2yr3 s THR 78 CO 0.00 -0.70 1.13 -0.31 -0.69 0.00 0.00 174.62 174.05 2yr3 s TYR 79 N 1.71 3.30 -0.18 4.92 1.51 0.06 -1.71 117.35 126.97 2yr3 s TYR 79 Ca 0.10 1.35 -0.01 0.00 -1.01 0.00 0.00 57.07 57.51 2yr3 s TYR 79 Cb -0.17 -3.33 0.00 0.00 -0.11 0.00 0.00 41.96 38.35 2yr3 s TYR 79 CO -0.28 -0.90 -0.14 0.99 -1.11 0.00 0.00 175.55 174.11 2yr3 s THR 80 N 2.24 2.68 -0.41 -0.71 2.01 -0.11 0.57 115.64 121.92 2yr3 s THR 80 Ca 0.53 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.69 2yr3 s THR 80 Cb -0.22 -2.15 0.08 0.00 0.01 0.00 0.00 72.50 70.21 2yr3 s THR 80 CO 0.19 0.50 0.25 0.00 -0.69 0.00 0.00 174.62 174.87 2yr3 s LEU 82 N 1.42 4.22 -0.29 0.00 2.96 -0.89 -2.57 118.68 123.52 2yr3 s LEU 82 Ca 0.03 0.93 -0.00 0.00 -0.22 0.00 0.00 54.13 54.87 2yr3 s LEU 82 Cb -0.23 -2.91 0.09 0.00 0.50 0.00 0.00 46.19 43.65 2yr3 s LEU 82 CO 0.02 -0.18 0.07 0.00 -1.32 0.00 0.00 176.35 174.95 2yr3 s ALA 83 N 1.34 1.66 0.03 5.97 0.00 -0.29 -3.16 121.76 127.31 2yr3 s ALA 83 Ca 0.31 -1.64 0.04 0.00 0.00 0.00 0.00 51.96 50.67 2yr3 s ALA 83 Cb -0.16 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 2yr3 s ALA 83 CO 0.12 -1.58 -0.11 -1.83 0.00 0.00 0.00 175.76 172.37 2yr3 s GLU 84 N 1.55 0.74 0.28 0.00 -1.05 -1.25 -1.46 118.70 117.51 2yr3 s GLU 84 Ca 0.07 -0.63 0.02 0.00 -0.15 0.00 0.00 54.97 54.29 2yr3 s GLU 84 Cb -0.18 -0.68 -0.01 0.00 -0.44 0.00 0.00 34.13 32.82 2yr3 s GLU 84 CO -0.20 0.17 0.08 0.27 0.95 0.00 0.00 175.26 176.53 2yr3 n ASN 85 N 2.04 1.40 0.28 0.83 0.23 0.01 -1.82 115.26 118.24 2yr3 n ASN 85 Ca -0.18 -2.43 0.19 0.00 -0.53 0.00 0.00 54.58 51.63 2yr3 n ASN 85 Cb 0.55 0.61 0.98 0.00 -2.08 0.00 0.00 39.78 39.85 2yr3 n ASN 85 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yr3 h ALA 86 N 1.40 1.00 -1.59 -2.53 0.00 -1.92 -3.28 119.26 112.33 2yr3 h ALA 86 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2yr3 h ALA 86 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2yr3 h ALA 86 CO 0.35 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.88 2yr3 n LEU 87 N -2.86 0.97 0.00 0.00 4.32 -1.26 -5.07 117.00 113.10 2yr3 n LEU 87 Ca -0.02 0.14 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 2yr3 n LEU 87 Cb 0.10 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 2yr3 n LEU 87 CO 0.19 -0.23 0.00 0.61 -1.22 0.00 0.00 177.39 176.73 2yr3 n GLY 88 N 2.17 5.46 3.45 -0.72 0.00 -1.24 -5.01 105.19 109.30 2yr3 n GLY 88 Ca 0.00 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.97 0.52 0.12 1.61 1.03 -1.26 -0.81 119.66 119.90 2yr3 s GLN 89 Ca 0.00 1.08 0.01 0.00 0.04 0.00 0.00 55.36 56.50 2yr3 s GLN 89 Cb 0.00 0.23 -0.04 0.00 0.03 0.00 0.00 33.01 33.23 2yr3 s GLN 89 CO 0.00 -0.18 -0.03 0.14 -2.54 0.00 0.00 175.29 172.68 2yr3 s VAL 90 N 1.92 0.63 -0.03 3.63 -7.23 -0.53 -4.97 120.40 113.82 2yr3 s VAL 90 Ca -0.08 -1.95 -0.13 0.00 -1.81 0.00 0.00 61.98 58.02 2yr3 s VAL 90 Cb -0.08 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 35.03 2yr3 s VAL 90 CO -0.16 -0.71 0.29 -0.94 -0.31 0.00 0.00 175.10 173.26 2yr3 s SER 91 N -3.08 -0.19 -0.00 4.85 1.04 -1.26 -1.14 113.70 113.91 2yr3 s SER 91 Ca 0.17 0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.74 2yr3 s SER 91 Cb 0.06 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.54 2yr3 s SER 91 CO -0.02 -0.36 0.04 0.00 0.98 0.00 0.00 173.24 173.88 2yr3 s SER 93 N -0.55 4.19 0.04 0.00 1.04 -1.26 -0.52 113.70 116.64 2yr3 s SER 93 Ca -0.06 -0.66 -0.05 0.00 0.48 0.00 0.00 55.95 55.67 2yr3 s SER 93 Cb -0.04 -0.67 -0.01 0.00 0.10 0.00 0.00 66.02 65.40 2yr3 s SER 93 CO -0.00 0.08 0.07 0.00 0.98 0.00 0.00 173.24 174.37 2yr3 s ALA 94 N -1.90 -0.01 -0.16 5.32 0.00 0.19 -4.81 121.76 120.39 2yr3 s ALA 94 Ca 0.26 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 2yr3 s ALA 94 Cb -0.08 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 2yr3 s ALA 94 CO 0.16 -0.30 -0.11 -0.46 0.00 0.00 0.00 175.76 175.04 2yr3 s TRP 95 N -2.56 2.86 -0.04 0.00 -0.11 -1.26 -0.76 118.94 117.08 2yr3 s TRP 95 Ca -0.05 -0.82 0.05 0.00 1.22 0.00 0.00 56.10 56.50 2yr3 s TRP 95 Cb -0.02 -1.93 -0.02 0.00 -1.50 0.00 0.00 33.47 30.00 2yr3 s TRP 95 CO -0.04 -0.37 -0.18 0.08 -4.62 0.00 0.00 176.95 171.82 2yr3 s VAL 96 N 0.78 2.76 -0.02 5.86 1.01 -1.10 -3.43 120.40 126.25 2yr3 s VAL 96 Ca -0.04 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.16 2yr3 s VAL 96 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2yr3 s VAL 96 CO 0.01 0.58 -0.25 0.42 0.00 0.00 0.00 175.10 175.86 2yr3 s THR 97 N -0.71 1.95 -0.31 3.92 -4.23 -0.61 -3.52 115.64 112.13 2yr3 s THR 97 Ca 0.11 -1.06 0.03 0.00 -1.18 0.00 0.00 61.69 59.59 2yr3 s THR 97 Cb -0.10 -1.62 0.09 0.00 1.34 0.00 0.00 72.50 72.20 2yr3 s THR 97 CO 0.00 0.55 0.01 -0.69 -0.54 0.00 0.00 174.62 173.95 2yr3 s VAL 98 N -0.59 2.08 -0.96 2.29 1.01 -1.26 -1.26 120.40 121.72 2yr3 s VAL 98 Ca 0.10 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.05 2yr3 s VAL 98 Cb -0.10 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.84 2yr3 s VAL 98 CO -0.01 -0.44 0.24 1.41 0.00 0.00 0.00 175.10 176.30