#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 4.82 -3.67 1.61 2.88 -1.26 -5.03 113.62 112.97 2yr3 n SER 2 Ca 0.00 -3.71 -0.09 0.00 -1.33 0.00 0.00 58.87 53.74 2yr3 n SER 2 Cb 0.00 -0.36 -0.02 0.00 -0.75 0.00 0.00 64.21 63.08 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 -3.59 -0.39 0.00 -3.46 1.04 -1.26 -5.18 113.70 100.86 2yr3 s SER 3 Ca 0.50 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2yr3 s SER 3 Cb 0.41 0.66 0.00 0.00 0.10 0.00 0.00 66.02 67.19 2yr3 s SER 3 CO 0.00 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.66 2yr3 n GLY 4 N -0.42 3.78 3.13 7.32 0.00 -1.26 -5.16 105.19 112.58 2yr3 n GLY 4 Ca -0.10 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 2yr3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yr3 s SER 5 N 0.81 1.30 -0.20 1.61 0.15 -1.26 -5.08 113.70 111.03 2yr3 s SER 5 Ca 0.00 -0.66 -0.16 0.00 0.70 0.00 0.00 55.95 55.83 2yr3 s SER 5 Cb 0.00 0.00 -0.11 0.00 -1.71 0.00 0.00 66.02 64.20 2yr3 s SER 5 CO 0.00 -0.19 -0.08 -0.24 1.20 0.00 0.00 173.24 173.93 2yr3 n SER 6 N 1.09 1.87 0.00 5.45 2.88 -1.26 -5.12 113.62 118.53 2yr3 n SER 6 Ca -0.20 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2yr3 n SER 6 Cb 0.56 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 2yr3 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yr3 n GLY 7 N 1.46 -0.55 3.87 0.46 0.00 -1.26 -5.14 105.19 104.03 2yr3 n GLY 7 Ca -0.26 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 2yr3 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2yr3 s MET 8 N -1.06 3.67 1.11 1.61 -2.45 -1.26 -5.09 119.30 115.83 2yr3 s MET 8 Ca 0.00 0.06 -0.17 0.00 -1.25 0.00 0.00 55.69 54.33 2yr3 s MET 8 Cb 0.00 -3.06 0.24 0.00 1.25 0.00 0.00 34.83 33.26 2yr3 s MET 8 CO 0.00 0.62 1.13 -1.21 1.05 0.00 0.00 175.02 176.61 2yr3 s GLU 9 N -1.74 -0.46 0.03 4.11 8.01 -1.26 -5.04 118.70 122.34 2yr3 s GLU 9 Ca 0.29 0.06 -0.05 0.00 0.01 0.00 0.00 54.97 55.28 2yr3 s GLU 9 Cb -0.14 -1.67 -0.01 0.00 -4.31 0.00 0.00 34.13 28.00 2yr3 s GLU 9 CO 0.16 -3.23 0.08 0.08 0.01 0.00 0.00 175.26 172.36 2yr3 s VAL 10 N -3.11 0.13 0.44 2.63 1.01 -0.71 -4.94 120.40 115.84 2yr3 s VAL 10 Ca 0.69 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2yr3 s VAL 10 Cb -0.12 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2yr3 s VAL 10 CO 0.56 -0.58 0.71 0.00 0.00 0.00 0.00 175.10 175.79 2yr3 s ALA 11 N -2.34 3.51 0.09 5.51 0.00 -1.26 -1.94 121.76 125.31 2yr3 s ALA 11 Ca -0.07 -0.65 -0.31 0.00 0.00 0.00 0.00 51.96 50.92 2yr3 s ALA 11 Cb -0.03 -2.42 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 2yr3 s ALA 11 CO -0.03 -0.25 1.38 -1.25 0.00 0.00 0.00 175.76 175.60 2yr3 s PRO 12 N -4.60 4.32 0.06 0.00 0.04 -1.26 -4.32 135.00 129.24 2yr3 s PRO 12 Ca 0.45 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.44 2yr3 s PRO 12 Cb -0.10 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.12 2yr3 s PRO 12 CO 0.42 -0.45 0.18 0.45 0.04 0.00 0.00 177.00 177.64 2yr3 s SER 13 N 1.26 0.09 -0.62 6.66 0.15 -0.64 -4.52 113.70 116.08 2yr3 s SER 13 Ca 0.64 -0.52 -0.05 0.00 0.70 0.00 0.00 55.95 56.72 2yr3 s SER 13 Cb -0.35 0.31 0.16 0.00 -1.71 0.00 0.00 66.02 64.42 2yr3 s SER 13 CO 0.30 -0.64 0.45 -0.36 1.20 0.00 0.00 173.24 174.19 2yr3 s PHE 14 N -3.20 3.48 0.54 3.44 0.08 -1.26 -1.86 117.98 119.19 2yr3 s PHE 14 Ca -0.00 -2.51 0.26 0.00 0.12 0.00 0.00 56.93 54.80 2yr3 s PHE 14 Cb 0.02 -3.31 1.42 0.00 -0.57 0.00 0.00 43.02 40.58 2yr3 s PHE 14 CO -0.07 -0.89 1.98 0.77 -0.10 0.00 0.00 175.22 176.91 2yr3 h SER 15 N 7.36 0.00 -1.88 1.36 0.02 -1.62 -3.37 113.55 115.43 2yr3 h SER 15 Ca -0.03 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.73 2yr3 h SER 15 Cb 0.98 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.23 2yr3 h SER 15 CO 0.73 0.00 -0.52 -0.55 -1.14 0.00 0.00 176.83 175.35 2yr3 s SER 16 N -6.09 0.51 0.79 3.07 0.15 -0.99 -4.92 113.70 106.22 2yr3 s SER 16 Ca -0.05 -0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.36 2yr3 s SER 16 Cb 0.19 1.01 0.07 0.00 -1.71 0.00 0.00 66.02 65.58 2yr3 s SER 16 CO 0.72 -0.33 1.09 0.68 1.20 0.00 0.00 173.24 176.60 2yr3 s VAL 17 N 2.51 3.25 0.76 4.45 -7.23 -1.26 -1.77 120.40 121.11 2yr3 s VAL 17 Ca 0.11 0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 60.57 2yr3 s VAL 17 Cb -0.14 -2.94 0.05 0.00 0.56 0.00 0.00 36.38 33.91 2yr3 s VAL 17 CO -0.23 -0.53 1.11 -0.76 -0.31 0.00 0.00 175.10 174.38 2yr3 s LEU 18 N -5.93 3.13 -0.02 1.32 1.43 -1.26 -4.89 118.68 112.47 2yr3 s LEU 18 Ca 0.61 1.97 0.03 0.00 -1.03 0.00 0.00 54.13 55.71 2yr3 s LEU 18 Cb -0.17 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.51 2yr3 s LEU 18 CO 0.56 -2.09 -0.10 -0.54 0.23 0.00 0.00 176.35 174.41 2yr3 s LYS 19 N -4.55 0.91 0.13 1.70 -0.14 -1.26 -4.94 119.74 111.58 2yr3 s LYS 19 Ca 0.65 -0.35 -0.33 0.00 -1.36 0.00 0.00 55.97 54.58 2yr3 s LYS 19 Cb -0.20 -0.86 -0.17 0.00 -1.68 0.00 0.00 37.83 34.91 2yr3 s LYS 19 CO 0.51 0.18 0.92 -0.25 -0.76 0.00 0.00 175.35 175.95 2yr3 n ASP 20 N 3.03 0.05 -4.02 2.83 9.92 -1.26 -4.94 116.55 122.15 2yr3 n ASP 20 Ca -0.16 1.15 -0.08 0.00 -0.53 0.00 0.00 54.79 55.17 2yr3 n ASP 20 Cb 0.55 -1.03 -0.09 0.00 -0.64 0.00 0.00 41.12 39.91 2yr3 n ASP 20 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yr3 s ALA 22 N -3.91 1.43 0.09 0.00 0.00 -1.26 -1.79 121.76 116.32 2yr3 s ALA 22 Ca 0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 2yr3 s ALA 22 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2yr3 s ALA 22 CO -0.09 0.28 0.05 0.54 0.00 0.00 0.00 175.76 176.54 2yr3 s VAL 23 N -0.98 0.16 0.22 0.00 0.11 -1.02 -5.01 120.40 113.89 2yr3 s VAL 23 Ca 0.03 -1.74 -0.14 0.00 -2.93 0.00 0.00 61.98 57.20 2yr3 s VAL 23 Cb -0.09 -1.70 -0.08 0.00 -1.53 0.00 0.00 36.38 32.98 2yr3 s VAL 23 CO 0.02 -0.72 0.63 -0.63 -3.33 0.00 0.00 175.10 171.07 2yr3 s ILE 24 N -3.96 4.78 -0.36 7.04 -1.09 -1.26 -0.01 121.20 126.34 2yr3 s ILE 24 Ca 0.13 0.85 -0.27 0.00 -2.23 0.00 0.00 60.65 59.14 2yr3 s ILE 24 Cb 0.07 -3.70 -0.06 0.00 -1.58 0.00 0.00 42.46 37.19 2yr3 s ILE 24 CO -0.05 0.05 2.29 -0.70 -1.23 0.00 0.00 174.94 175.30 2yr3 s GLU 25 N -2.42 2.64 0.00 2.79 2.12 -1.26 -0.61 118.70 121.96 2yr3 s GLU 25 Ca 0.45 1.70 0.00 0.00 0.36 0.00 0.00 54.97 57.48 2yr3 s GLU 25 Cb -0.13 -4.47 0.00 0.00 0.26 0.00 0.00 34.13 29.79 2yr3 s GLU 25 CO 0.20 -2.67 0.00 0.41 -0.54 0.00 0.00 175.26 172.66 2yr3 n GLY 26 N 5.87 0.73 3.96 -1.50 0.00 -1.10 -5.00 105.19 108.15 2yr3 n GLY 26 Ca 0.33 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.52 2.68 0.16 1.61 -1.52 0.22 -4.46 119.66 117.84 2yr3 s GLN 27 Ca 0.00 -0.58 0.01 0.00 -1.95 0.00 0.00 55.36 52.85 2yr3 s GLN 27 Cb 0.00 -2.46 -0.04 0.00 -0.22 0.00 0.00 33.01 30.30 2yr3 s GLN 27 CO 0.00 -0.64 0.32 0.34 -0.25 0.00 0.00 175.29 175.05 2yr3 s ASP 28 N -4.37 6.35 -0.29 5.90 2.15 -1.26 -1.77 116.67 123.39 2yr3 s ASP 28 Ca 0.55 0.24 -0.14 0.00 0.43 0.00 0.00 52.55 53.63 2yr3 s ASP 28 Cb -0.10 -1.94 0.11 0.00 -0.30 0.00 0.00 42.92 40.69 2yr3 s ASP 28 CO 0.39 0.02 0.77 0.72 -0.17 0.00 0.00 175.17 176.91 2yr3 s PHE 29 N -1.78 -0.99 -0.25 -5.34 -0.12 -0.67 -4.96 117.98 103.86 2yr3 s PHE 29 Ca 0.36 1.88 0.01 0.00 -0.05 0.00 0.00 56.93 59.13 2yr3 s PHE 29 Cb -0.11 0.59 0.05 0.00 -0.63 0.00 0.00 43.02 42.92 2yr3 s PHE 29 CO 0.29 -0.49 -0.10 0.54 -0.05 0.00 0.00 175.22 175.41 2yr3 s VAL 30 N 1.96 2.41 -0.27 -2.49 0.11 -1.26 -1.85 120.40 119.01 2yr3 s VAL 30 Ca -0.08 -1.40 -0.29 0.00 -2.93 0.00 0.00 61.98 57.28 2yr3 s VAL 30 Cb -0.06 -2.33 -0.02 0.00 -1.53 0.00 0.00 36.38 32.44 2yr3 s VAL 30 CO -0.18 0.07 1.63 -0.76 -3.33 0.00 0.00 175.10 172.52 2yr3 s LEU 31 N 1.19 3.76 -0.17 2.54 1.43 -1.12 -4.77 118.68 121.53 2yr3 s LEU 31 Ca -0.05 1.43 -0.05 0.00 -1.03 0.00 0.00 54.13 54.43 2yr3 s LEU 31 Cb -0.18 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2yr3 s LEU 31 CO -0.05 -1.39 -0.01 -1.58 0.23 0.00 0.00 176.35 173.55 2yr3 s GLN 32 N 4.94 3.74 0.04 1.70 0.74 -1.26 -2.19 119.66 127.38 2yr3 s GLN 32 Ca 0.72 -0.47 -0.01 0.00 0.05 0.00 0.00 55.36 55.64 2yr3 s GLN 32 Cb -0.23 -3.01 -0.03 0.00 1.10 0.00 0.00 33.01 30.84 2yr3 s GLN 32 CO 0.31 0.22 -0.02 0.00 -0.55 0.00 0.00 175.29 175.26 2yr3 s SER 34 N -2.49 6.33 -0.09 0.00 0.01 -0.73 -1.63 113.70 115.10 2yr3 s SER 34 Ca 0.00 0.38 -0.04 0.00 1.31 0.00 0.00 55.95 57.60 2yr3 s SER 34 Cb 0.03 -2.18 0.04 0.00 0.21 0.00 0.00 66.02 64.12 2yr3 s SER 34 CO -0.07 -0.01 0.20 0.54 0.41 0.00 0.00 173.24 174.31 2yr3 s VAL 35 N 1.11 -0.06 0.18 3.43 0.11 -0.22 -1.45 120.40 123.50 2yr3 s VAL 35 Ca 0.15 0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.43 2yr3 s VAL 35 Cb -0.14 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 2yr3 s VAL 35 CO 0.06 0.07 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.65 2yr3 s ARG 36 N 1.27 1.21 0.00 1.54 0.52 -0.78 -4.27 118.95 118.44 2yr3 s ARG 36 Ca -0.09 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 53.59 2yr3 s ARG 36 Cb -0.11 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.49 2yr3 s ARG 36 CO -0.07 0.12 0.00 0.41 0.02 0.00 0.00 175.30 175.78 2yr3 n GLY 37 N -0.30 3.65 2.92 -3.53 0.00 -1.26 -1.63 105.19 105.04 2yr3 n GLY 37 Ca -0.09 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.52 0.93 1.17 2.61 2.01 -0.82 -3.01 115.64 117.01 2yr3 s THR 38 Ca 0.00 -0.27 -0.18 0.00 0.31 0.00 0.00 61.69 61.55 2yr3 s THR 38 Cb 0.00 -0.93 0.27 0.00 0.01 0.00 0.00 72.50 71.85 2yr3 s THR 38 CO 0.00 0.34 1.11 -2.16 -0.69 0.00 0.00 174.62 173.21 2yr3 s PRO 39 N 1.38 -0.96 0.00 4.92 0.04 -1.26 -1.74 135.00 137.39 2yr3 s PRO 39 Ca -0.02 0.03 -0.31 0.00 0.04 0.00 0.00 61.00 60.73 2yr3 s PRO 39 Cb -0.14 -1.62 -0.10 0.00 0.04 0.00 0.00 34.50 32.69 2yr3 s PRO 39 CO -0.04 -3.55 1.94 0.28 0.04 0.00 0.00 177.00 175.66 2yr3 n VAL 40 N -4.67 0.68 -1.97 -0.36 0.31 -1.16 -4.83 118.33 106.33 2yr3 n VAL 40 Ca 0.12 -0.12 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 2yr3 n VAL 40 Cb 0.59 -2.16 0.03 0.00 -0.91 0.00 0.00 33.84 31.38 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 4.21 3.03 -0.06 5.55 0.04 -1.26 -4.91 135.00 141.60 2yr3 s PRO 41 Ca 0.90 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 63.12 2yr3 s PRO 41 Cb -0.52 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 2yr3 s PRO 41 CO 0.45 -1.08 1.27 1.03 0.04 0.00 0.00 177.00 178.71 2yr3 s ARG 42 N -3.76 4.31 -0.46 4.56 3.00 -1.08 -4.82 118.95 120.70 2yr3 s ARG 42 Ca 0.69 1.75 -0.19 0.00 0.00 0.00 0.00 55.73 57.99 2yr3 s ARG 42 Cb -0.22 -3.61 0.04 0.00 0.00 0.00 0.00 34.95 31.16 2yr3 s ARG 42 CO 0.35 -0.53 0.56 0.42 0.00 0.00 0.00 175.30 176.10 2yr3 s ILE 43 N 2.53 4.95 -0.10 1.52 -1.09 -1.26 -3.69 121.20 124.06 2yr3 s ILE 43 Ca 0.58 -0.34 0.01 0.00 -2.23 0.00 0.00 60.65 58.66 2yr3 s ILE 43 Cb -0.26 -4.19 0.02 0.00 -1.58 0.00 0.00 42.46 36.45 2yr3 s ILE 43 CO 0.22 -0.63 -0.10 -0.89 -1.23 0.00 0.00 174.94 172.31 2yr3 s THR 44 N 2.47 1.14 -0.12 2.92 2.01 -1.06 -4.98 115.64 118.02 2yr3 s THR 44 Ca 0.15 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.65 2yr3 s THR 44 Cb -0.18 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.18 2yr3 s THR 44 CO 0.14 0.38 0.23 0.26 -0.69 0.00 0.00 174.62 174.93 2yr3 s TRP 45 N 1.34 3.56 -0.04 4.92 0.52 -1.26 -1.07 118.94 126.91 2yr3 s TRP 45 Ca -0.01 0.60 0.05 0.00 0.02 0.00 0.00 56.10 56.76 2yr3 s TRP 45 Cb -0.14 -2.14 -0.01 0.00 -1.15 0.00 0.00 33.47 30.04 2yr3 s TRP 45 CO -0.05 0.53 -0.19 -0.51 0.02 0.00 0.00 176.95 176.75 2yr3 s LEU 46 N -0.46 1.96 -0.15 2.99 1.43 -0.33 -2.85 118.68 121.28 2yr3 s LEU 46 Ca 0.16 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2yr3 s LEU 46 Cb -0.13 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 2yr3 s LEU 46 CO 0.05 0.18 -0.14 -0.22 0.23 0.00 0.00 176.35 176.45 2yr3 s LEU 47 N -0.08 2.55 -0.67 1.79 2.96 0.52 -0.71 118.68 125.05 2yr3 s LEU 47 Ca -0.02 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 2yr3 s LEU 47 Cb -0.11 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 45.02 2yr3 s LEU 47 CO 0.02 0.11 0.09 -0.46 -1.32 0.00 0.00 176.35 174.78 2yr3 n ASN 48 N 3.92 -2.56 -0.51 3.68 0.23 -1.21 0.04 115.26 118.85 2yr3 n ASN 48 Ca -0.19 0.19 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2yr3 n ASN 48 Cb 0.52 -2.23 0.00 0.00 -2.08 0.00 0.00 39.78 35.99 2yr3 n ASN 48 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2yr3 n GLY 49 N -0.73 0.93 3.05 4.83 0.00 -1.26 -5.06 105.19 106.95 2yr3 n GLY 49 Ca -0.06 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.81 0.20 -0.19 1.61 -1.52 0.11 -5.12 119.66 109.93 2yr3 s GLN 50 Ca 0.00 0.55 -0.29 0.00 -1.95 0.00 0.00 55.36 53.67 2yr3 s GLN 50 Cb 0.00 -0.12 -0.03 0.00 -0.22 0.00 0.00 33.01 32.64 2yr3 s GLN 50 CO 0.00 -0.17 1.59 -1.25 -0.25 0.00 0.00 175.29 175.21 2yr3 s PRO 51 N 1.35 3.89 0.29 2.91 0.04 -1.26 -0.35 135.00 141.87 2yr3 s PRO 51 Ca -0.09 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 2yr3 s PRO 51 Cb -0.10 -4.00 -0.10 0.00 0.04 0.00 0.00 34.50 30.33 2yr3 s PRO 51 CO -0.09 -1.17 1.33 0.42 0.04 0.00 0.00 177.00 177.53 2yr3 s ILE 52 N 4.87 2.81 -0.21 0.56 1.01 -1.13 -4.94 121.20 124.15 2yr3 s ILE 52 Ca 0.70 0.75 0.06 0.00 0.00 0.00 0.00 60.65 62.16 2yr3 s ILE 52 Cb -0.26 -3.48 -0.21 0.00 0.01 0.00 0.00 42.46 38.53 2yr3 s ILE 52 CO 0.28 0.15 -0.03 0.00 0.00 0.00 0.00 174.94 175.35 2yr3 n GLN 53 N 1.49 0.67 -1.34 2.79 6.02 -1.26 -4.41 117.38 121.35 2yr3 n GLN 53 Ca 0.03 0.13 -0.32 0.00 -0.01 0.00 0.00 57.00 56.83 2yr3 n GLN 53 Cb 0.42 -1.56 0.06 0.00 1.02 0.00 0.00 30.24 30.17 2yr3 n GLN 53 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 2yr3 n TYR 54 N -3.15 2.76 -3.08 1.08 4.11 -1.26 -4.88 117.16 112.74 2yr3 n TYR 54 Ca -0.39 -2.66 -0.45 0.00 -0.00 0.00 0.00 57.90 54.41 2yr3 n TYR 54 Cb 1.04 -1.31 -0.03 0.00 -0.00 0.00 0.00 39.34 39.04 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 -3.34 3.50 -1.22 -3.48 0.00 -1.26 -4.97 121.76 110.99 2yr3 s ALA 55 Ca 0.56 -2.53 -0.13 0.00 0.00 0.00 0.00 51.96 49.85 2yr3 s ALA 55 Cb 0.44 -3.68 0.17 0.00 0.00 0.00 0.00 23.12 20.05 2yr3 s ALA 55 CO -0.08 -2.53 1.50 0.54 0.00 0.00 0.00 175.76 175.19 2yr3 n ARG 56 N 6.07 3.41 -2.98 0.00 1.74 -1.26 -5.00 116.66 118.64 2yr3 n ARG 56 Ca 0.04 -3.81 -0.24 0.00 -0.77 0.00 0.00 57.85 53.07 2yr3 n ARG 56 Cb 0.45 -3.02 0.01 0.00 -1.02 0.00 0.00 32.46 28.88 2yr3 n ARG 56 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2yr3 s SER 57 N 2.50 5.94 -0.10 0.55 0.15 -1.26 -3.25 113.70 118.23 2yr3 s SER 57 Ca 0.42 0.40 -0.04 0.00 0.70 0.00 0.00 55.95 57.44 2yr3 s SER 57 Cb -0.01 -1.70 0.05 0.00 -1.71 0.00 0.00 66.02 62.65 2yr3 s SER 57 CO 0.00 -0.64 0.20 0.42 1.20 0.00 0.00 173.24 174.42 2yr3 s THR 58 N -2.56 -0.32 -0.31 6.45 -4.23 0.11 -4.95 115.64 109.82 2yr3 s THR 58 Ca 0.47 0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 61.18 2yr3 s THR 58 Cb -0.10 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 73.36 2yr3 s THR 58 CO 0.39 0.13 0.20 0.00 -0.54 0.00 0.00 174.62 174.79 2yr3 s GLU 60 N 1.70 1.39 -1.53 0.00 2.02 -0.98 -4.80 118.70 116.49 2yr3 s GLU 60 Ca 0.06 -0.24 -0.12 0.00 0.02 0.00 0.00 54.97 54.69 2yr3 s GLU 60 Cb -0.17 -1.38 0.08 0.00 0.10 0.00 0.00 34.13 32.76 2yr3 s GLU 60 CO 0.09 -0.17 0.87 0.00 0.02 0.00 0.00 175.26 176.07 2yr3 n ALA 61 N 4.56 -1.43 -2.24 5.21 0.00 -1.26 -0.69 120.51 124.67 2yr3 n ALA 61 Ca -0.16 0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 2yr3 n ALA 61 Cb 0.51 -3.73 -0.00 0.00 0.00 0.00 0.00 19.45 16.22 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 -1.65 -0.00 2.89 0.00 0.00 -1.26 -4.97 105.19 100.20 2yr3 n GLY 62 Ca -0.02 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.52 2.14 0.17 1.61 1.01 0.14 -1.06 120.40 121.89 2yr3 s VAL 63 Ca 0.02 -2.83 -0.30 0.00 0.00 0.00 0.00 61.98 58.87 2yr3 s VAL 63 Cb -0.01 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.78 2yr3 s VAL 63 CO 0.02 -0.78 1.20 0.00 0.00 0.00 0.00 175.10 175.55 2yr3 s ALA 64 N 0.22 3.43 0.02 5.51 0.00 -0.64 -2.33 121.76 127.97 2yr3 s ALA 64 Ca 0.15 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2yr3 s ALA 64 Cb -0.24 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2yr3 s ALA 64 CO -0.03 -0.38 -0.04 -1.21 0.00 0.00 0.00 175.76 174.11 2yr3 s GLU 65 N -0.11 0.33 -0.33 0.00 2.02 -0.89 -1.28 118.70 118.45 2yr3 s GLU 65 Ca 0.53 -0.59 -0.01 0.00 0.02 0.00 0.00 54.97 54.93 2yr3 s GLU 65 Cb -0.32 0.02 0.11 0.00 0.10 0.00 0.00 34.13 34.03 2yr3 s GLU 65 CO 0.36 -0.02 0.13 -1.17 0.02 0.00 0.00 175.26 174.57 2yr3 s LEU 66 N -1.36 1.95 -0.15 1.80 2.96 -0.93 -0.72 118.68 122.23 2yr3 s LEU 66 Ca -0.13 -1.75 -0.29 0.00 -0.22 0.00 0.00 54.13 51.73 2yr3 s LEU 66 Cb -0.09 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 2yr3 s LEU 66 CO -0.01 -0.39 1.56 -1.00 -1.32 0.00 0.00 176.35 175.19 2yr3 s HIS 67 N 1.49 2.19 -0.28 5.38 3.76 -1.20 -2.80 115.29 123.83 2yr3 s HIS 67 Ca 0.11 0.50 0.01 0.00 -0.15 0.00 0.00 55.06 55.53 2yr3 s HIS 67 Cb -0.18 -3.87 0.08 0.00 1.11 0.00 0.00 32.58 29.72 2yr3 s HIS 67 CO -0.22 -3.06 0.01 0.42 -0.85 0.00 0.00 174.74 171.04 2yr3 s ILE 68 N 4.44 1.57 0.38 0.60 -1.09 -0.77 -4.53 121.20 121.80 2yr3 s ILE 68 Ca 0.69 -1.55 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 2yr3 s ILE 68 Cb -0.27 -1.99 -0.02 0.00 -1.58 0.00 0.00 42.46 38.60 2yr3 s ILE 68 CO 0.27 -0.36 0.57 0.00 -1.23 0.00 0.00 174.94 174.19 2yr3 s GLN 69 N 1.32 3.26 -1.24 2.79 -2.07 -1.26 -1.68 119.66 120.79 2yr3 s GLN 69 Ca 0.02 -0.53 -0.03 0.00 -1.82 0.00 0.00 55.36 53.00 2yr3 s GLN 69 Cb -0.19 -2.66 -0.01 0.00 -1.09 0.00 0.00 33.01 29.06 2yr3 s GLN 69 CO -0.11 -0.00 0.79 -3.47 -1.32 0.00 0.00 175.29 171.17 2yr3 n ASP 70 N -1.85 -2.37 -4.54 12.60 2.03 -1.23 -4.77 116.55 116.43 2yr3 n ASP 70 Ca -0.02 -0.79 -0.29 0.00 0.52 0.00 0.00 54.79 54.21 2yr3 n ASP 70 Cb 0.57 -4.32 -0.08 0.00 -0.72 0.00 0.00 41.12 36.58 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 -4.11 0.61 -2.17 -1.67 0.00 -0.73 -4.76 120.51 107.69 2yr3 n ALA 71 Ca -0.25 -0.97 -0.30 0.00 0.00 0.00 0.00 53.44 51.92 2yr3 n ALA 71 Cb 0.66 -3.03 -0.02 0.00 0.00 0.00 0.00 19.45 17.06 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 11.54 3.71 0.00 0.00 1.43 -1.26 -2.70 118.68 131.39 2yr3 s LEU 72 Ca 1.05 1.12 0.14 0.00 -1.03 0.00 0.00 54.13 55.41 2yr3 s LEU 72 Cb -0.37 -4.04 0.67 0.00 0.03 0.00 0.00 46.19 42.48 2yr3 s LEU 72 CO 0.27 -0.50 1.43 -0.81 0.23 0.00 0.00 176.35 176.96 2yr3 n PRO 73 N -1.73 0.10 0.00 1.29 -0.04 -1.26 -2.20 135.00 131.16 2yr3 n PRO 73 Ca 0.02 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.74 2yr3 n PRO 73 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.40 0.65 0.05 0.54 0.28 -1.26 -4.22 120.64 115.27 2yr3 n GLU 74 Ca 0.05 -0.03 -0.08 0.00 -0.16 0.00 0.00 57.16 56.94 2yr3 n GLU 74 Cb 0.14 -1.63 0.06 0.00 1.43 0.00 0.00 31.44 31.44 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 0.45 -1.63 -1.84 3.32 -1.83 -3.45 116.42 111.44 2yr3 h ASP 75 Ca -0.12 -0.28 -0.66 0.00 0.02 0.00 0.00 57.03 55.99 2yr3 h ASP 75 Cb 1.32 -0.13 0.10 0.00 0.22 0.00 0.00 39.33 40.83 2yr3 h ASP 75 CO 0.01 0.99 -0.09 0.00 -1.72 0.00 0.00 179.24 178.43 2yr3 n HIS 76 N -3.87 0.56 0.00 4.55 1.44 -1.23 -4.80 115.22 111.87 2yr3 n HIS 76 Ca -0.04 0.84 0.00 0.00 -2.01 0.00 0.00 57.72 56.51 2yr3 n HIS 76 Cb 0.66 -2.13 0.00 0.00 0.12 0.00 0.00 29.99 28.64 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 -0.37 2.69 -1.39 0.00 -1.26 -5.00 105.19 101.61 2yr3 n GLY 77 Ca 0.15 0.41 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 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 0.61 -0.48 2.61 2.01 -1.26 -3.32 115.64 115.80 2yr3 s THR 78 Ca 0.00 -1.15 -0.28 0.00 0.31 0.00 0.00 61.69 60.57 2yr3 s THR 78 Cb 0.00 -1.43 0.03 0.00 0.01 0.00 0.00 72.50 71.11 2yr3 s THR 78 CO 0.00 -0.64 1.08 -0.31 -0.69 0.00 0.00 174.62 174.06 2yr3 s TYR 79 N 1.76 2.83 -0.33 4.92 1.51 -1.04 -3.32 117.35 123.69 2yr3 s TYR 79 Ca 0.08 0.59 -0.09 0.00 -1.01 0.00 0.00 57.07 56.65 2yr3 s TYR 79 Cb -0.17 -4.32 0.01 0.00 -0.11 0.00 0.00 41.96 37.38 2yr3 s TYR 79 CO -0.26 -1.25 0.14 0.99 -1.11 0.00 0.00 175.55 174.06 2yr3 s THR 80 N 4.30 4.31 -0.53 -0.71 2.01 0.11 -2.41 115.64 122.71 2yr3 s THR 80 Ca 0.44 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 2yr3 s THR 80 Cb -0.08 -3.29 0.07 0.00 0.01 0.00 0.00 72.50 69.21 2yr3 s THR 80 CO 0.30 -0.04 0.64 0.00 -0.69 0.00 0.00 174.62 174.83 2yr3 s LEU 82 N 2.62 4.19 -0.29 0.00 2.96 -0.23 -3.00 118.68 124.93 2yr3 s LEU 82 Ca 0.14 0.82 -0.00 0.00 -0.22 0.00 0.00 54.13 54.87 2yr3 s LEU 82 Cb -0.21 -2.82 0.09 0.00 0.50 0.00 0.00 46.19 43.75 2yr3 s LEU 82 CO 0.10 -0.17 0.06 0.00 -1.32 0.00 0.00 176.35 175.02 2yr3 s ALA 83 N 1.43 1.74 -0.01 5.97 0.00 -0.37 -2.55 121.76 127.97 2yr3 s ALA 83 Ca 0.28 -1.62 0.05 0.00 0.00 0.00 0.00 51.96 50.67 2yr3 s ALA 83 Cb -0.16 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 2yr3 s ALA 83 CO 0.11 -1.53 -0.16 -1.83 0.00 0.00 0.00 175.76 172.35 2yr3 s GLU 84 N 1.50 1.35 0.25 0.00 -1.05 -1.25 -1.62 118.70 117.88 2yr3 s GLU 84 Ca 0.06 -0.59 0.02 0.00 -0.15 0.00 0.00 54.97 54.31 2yr3 s GLU 84 Cb -0.18 -1.29 -0.01 0.00 -0.44 0.00 0.00 34.13 32.21 2yr3 s GLU 84 CO -0.17 0.35 0.07 0.27 0.95 0.00 0.00 175.26 176.73 2yr3 n ASN 85 N 2.70 1.37 0.30 0.83 0.23 -0.45 -2.62 115.26 117.63 2yr3 n ASN 85 Ca -0.15 -2.27 0.20 0.00 -0.53 0.00 0.00 54.58 51.83 2yr3 n ASN 85 Cb 0.54 0.54 0.97 0.00 -2.08 0.00 0.00 39.78 39.76 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 1.36 1.00 -1.36 -2.53 0.00 -1.89 -3.30 119.26 112.53 2yr3 h ALA 86 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2yr3 h ALA 86 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2yr3 h ALA 86 CO 0.31 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.84 2yr3 n LEU 87 N -3.04 1.04 0.00 0.00 7.99 -1.26 -5.07 117.00 116.66 2yr3 n LEU 87 Ca -0.01 0.21 0.00 0.00 -0.01 0.00 0.00 56.01 56.19 2yr3 n LEU 87 Cb 0.17 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.21 2yr3 n LEU 87 CO 0.23 -0.27 0.00 0.61 -1.51 0.00 0.00 177.39 176.44 2yr3 n GLY 88 N 2.16 6.50 3.64 -0.72 0.00 -1.24 -4.99 105.19 110.54 2yr3 n GLY 88 Ca 0.00 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 2yr3 n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2yr3 s GLN 89 N 1.26 0.74 0.03 1.61 -2.07 -1.26 -1.34 119.66 118.62 2yr3 s GLN 89 Ca 0.00 1.06 -0.05 0.00 -1.82 0.00 0.00 55.36 54.55 2yr3 s GLN 89 Cb 0.00 0.26 -0.01 0.00 -1.09 0.00 0.00 33.01 32.17 2yr3 s GLN 89 CO 0.00 -0.12 0.09 0.14 -1.32 0.00 0.00 175.29 174.08 2yr3 s VAL 90 N 0.99 0.13 -0.01 3.63 -7.23 -0.64 -4.96 120.40 112.31 2yr3 s VAL 90 Ca -0.05 -1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 2yr3 s VAL 90 Cb -0.05 -0.81 -0.00 0.00 0.56 0.00 0.00 36.38 36.08 2yr3 s VAL 90 CO -0.10 -0.57 0.06 -0.94 -0.31 0.00 0.00 175.10 173.24 2yr3 s SER 91 N -2.00 0.04 0.03 4.85 1.04 -1.26 -1.24 113.70 115.16 2yr3 s SER 91 Ca -0.07 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2yr3 s SER 91 Cb -0.02 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 2yr3 s SER 91 CO -0.04 -0.18 -0.04 0.00 0.98 0.00 0.00 173.24 173.96 2yr3 s SER 93 N -1.75 2.05 0.01 0.00 1.04 -1.26 -1.32 113.70 112.46 2yr3 s SER 93 Ca -0.10 -0.95 -0.11 0.00 0.48 0.00 0.00 55.95 55.27 2yr3 s SER 93 Cb -0.07 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.00 2yr3 s SER 93 CO -0.02 -0.23 0.23 0.00 0.98 0.00 0.00 173.24 174.20 2yr3 s ALA 94 N -2.84 -0.55 -0.35 5.32 0.00 -1.01 -4.81 121.76 117.52 2yr3 s ALA 94 Ca 0.15 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.08 2yr3 s ALA 94 Cb -0.01 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.32 2yr3 s ALA 94 CO 0.03 -0.28 0.12 -0.46 0.00 0.00 0.00 175.76 175.17 2yr3 s TRP 95 N -1.71 3.29 0.06 0.00 -0.11 -1.26 -2.49 118.94 116.72 2yr3 s TRP 95 Ca -0.11 -1.58 -0.01 0.00 1.22 0.00 0.00 56.10 55.62 2yr3 s TRP 95 Cb -0.05 -2.42 -0.04 0.00 -1.50 0.00 0.00 33.47 29.46 2yr3 s TRP 95 CO 0.01 -0.77 0.22 0.08 -4.62 0.00 0.00 176.95 171.87 2yr3 s VAL 96 N 1.36 5.37 -0.02 5.86 1.01 -1.21 -4.05 120.40 128.73 2yr3 s VAL 96 Ca -0.01 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.70 2yr3 s VAL 96 Cb -0.20 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2yr3 s VAL 96 CO 0.02 0.15 -0.17 -0.89 0.00 0.00 0.00 175.10 174.21 2yr3 s THR 97 N -1.50 1.34 -0.21 3.92 2.01 -0.74 -4.09 115.64 116.36 2yr3 s THR 97 Ca 0.35 -0.71 -0.00 0.00 0.31 0.00 0.00 61.69 61.63 2yr3 s THR 97 Cb -0.13 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 71.28 2yr3 s THR 97 CO 0.27 0.38 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.76 2yr3 s VAL 98 N -0.28 2.49 -1.68 3.82 1.01 -1.26 -2.43 120.40 122.06 2yr3 s VAL 98 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2yr3 s VAL 98 Cb -0.08 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2yr3 s VAL 98 CO -0.00 0.38 0.42 1.41 0.00 0.00 0.00 175.10 177.31