#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 4.91 -0.40 1.61 0.01 -1.26 -5.04 113.70 113.53 2yr3 s SER 2 Ca 0.00 -0.22 -0.28 0.00 1.31 0.00 0.00 55.95 56.76 2yr3 s SER 2 Cb 0.00 -1.13 -0.08 0.00 0.21 0.00 0.00 66.02 65.02 2yr3 s SER 2 CO 0.00 0.17 2.34 -1.20 0.41 0.00 0.00 173.24 174.96 2yr3 n SER 3 N 0.56 2.53 -4.43 2.44 7.64 -1.26 -4.87 113.62 116.23 2yr3 n SER 3 Ca -0.11 -0.12 -0.45 0.00 1.01 0.00 0.00 58.87 59.20 2yr3 n SER 3 Cb 0.52 -1.51 -0.01 0.00 -1.01 0.00 0.00 64.21 62.20 2yr3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yr3 n GLY 4 N 6.01 -1.60 3.95 0.23 0.00 -1.26 -4.96 105.19 107.57 2yr3 n GLY 4 Ca 0.37 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.36 2yr3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yr3 s SER 5 N -0.91 5.90 0.09 1.61 1.04 -1.26 -5.01 113.70 115.17 2yr3 s SER 5 Ca 0.62 0.27 -0.35 0.00 0.48 0.00 0.00 55.95 56.97 2yr3 s SER 5 Cb -0.75 -1.58 -0.15 0.00 0.10 0.00 0.00 66.02 63.64 2yr3 s SER 5 CO 0.58 -0.63 1.50 -1.20 0.98 0.00 0.00 173.24 174.48 2yr3 n SER 6 N -2.01 2.47 -0.40 7.02 7.64 -1.26 -4.51 113.62 122.57 2yr3 n SER 6 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2yr3 n SER 6 Cb 0.57 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2yr3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yr3 n GLY 7 N 3.14 -0.71 3.42 0.23 0.00 -1.26 -5.15 105.19 104.86 2yr3 n GLY 7 Ca 0.18 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.52 1.25 0.86 1.61 0.00 -1.26 -5.17 119.30 115.08 2yr3 s MET 8 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 55.69 55.13 2yr3 s MET 8 Cb 0.00 0.58 0.18 0.00 0.00 0.00 0.00 34.83 35.59 2yr3 s MET 8 CO 0.00 -0.54 0.41 0.39 0.00 0.00 0.00 175.02 175.29 2yr3 n GLU 9 N -0.29 -1.78 -3.80 3.16 4.71 -1.26 -5.04 120.64 116.34 2yr3 n GLU 9 Ca -0.17 -0.69 -0.09 0.00 -0.01 0.00 0.00 57.16 56.20 2yr3 n GLU 9 Cb 0.64 -1.22 -0.03 0.00 -1.01 0.00 0.00 31.44 29.82 2yr3 n GLU 9 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2yr3 s VAL 10 N -1.75 0.01 0.29 2.62 -7.23 -0.55 -4.93 120.40 108.85 2yr3 s VAL 10 Ca 0.32 -0.89 -0.09 0.00 -1.81 0.00 0.00 61.98 59.50 2yr3 s VAL 10 Cb -0.06 -1.78 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 2yr3 s VAL 10 CO 0.27 -0.05 0.61 0.00 -0.31 0.00 0.00 175.10 175.63 2yr3 s ALA 11 N -3.90 3.51 0.55 1.32 0.00 -1.26 -2.26 121.76 119.72 2yr3 s ALA 11 Ca 0.11 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 51.58 2yr3 s ALA 11 Cb -0.03 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 2yr3 s ALA 11 CO 0.02 0.31 1.13 -1.25 0.00 0.00 0.00 175.76 175.97 2yr3 s PRO 12 N -3.24 3.30 -0.11 0.00 0.04 -1.26 -4.20 135.00 129.53 2yr3 s PRO 12 Ca 0.48 1.59 -0.31 0.00 0.04 0.00 0.00 61.00 62.80 2yr3 s PRO 12 Cb -0.11 -2.00 0.12 0.00 0.04 0.00 0.00 34.50 32.55 2yr3 s PRO 12 CO 0.25 -0.89 1.01 -1.54 0.04 0.00 0.00 177.00 175.88 2yr3 s SER 13 N -1.86 -0.30 -0.31 6.66 1.04 -0.51 -4.69 113.70 113.73 2yr3 s SER 13 Ca 0.72 0.13 -0.07 0.00 0.48 0.00 0.00 55.95 57.22 2yr3 s SER 13 Cb -0.24 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.19 2yr3 s SER 13 CO 0.28 -0.42 0.09 -0.36 0.98 0.00 0.00 173.24 173.81 2yr3 s PHE 14 N -2.22 3.18 0.09 5.02 0.08 -1.26 -0.75 117.98 122.12 2yr3 s PHE 14 Ca 0.04 -1.13 -0.10 0.00 0.12 0.00 0.00 56.93 55.86 2yr3 s PHE 14 Cb -0.01 -2.26 -0.20 0.00 -0.57 0.00 0.00 43.02 39.98 2yr3 s PHE 14 CO -0.05 -0.63 1.21 0.66 -0.10 0.00 0.00 175.22 176.31 2yr3 h SER 15 N 8.23 0.74 -2.57 1.36 4.64 -1.71 -3.40 113.55 120.84 2yr3 h SER 15 Ca -0.29 -0.62 -0.60 0.00 -0.47 0.00 0.00 61.79 59.81 2yr3 h SER 15 Cb 1.11 -0.23 -0.39 0.00 -0.31 0.00 0.00 62.40 62.58 2yr3 h SER 15 CO 0.60 1.43 -0.85 -1.20 -0.87 0.00 0.00 176.83 175.95 2yr3 n SER 16 N -3.78 0.73 -4.36 4.97 7.64 -1.19 -5.02 113.62 112.61 2yr3 n SER 16 Ca -0.10 -2.67 -0.33 0.00 1.01 0.00 0.00 58.87 56.78 2yr3 n SER 16 Cb 0.90 -0.62 0.11 0.00 -1.01 0.00 0.00 64.21 63.59 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 2.46 0.00 -1.52 0.44 0.24 -1.26 -3.72 118.33 114.97 2yr3 n VAL 17 Ca 0.27 -0.23 -0.32 0.00 -2.04 0.00 0.00 64.34 62.02 2yr3 n VAL 17 Cb 0.44 -0.54 0.06 0.00 -1.47 0.00 0.00 33.84 32.33 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 0.03 3.18 0.13 1.34 1.43 -1.26 -4.96 118.68 118.56 2yr3 s LEU 18 Ca 0.55 1.82 0.03 0.00 -1.03 0.00 0.00 54.13 55.49 2yr3 s LEU 18 Cb -0.20 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 2yr3 s LEU 18 CO 0.69 -1.73 -0.06 -1.59 0.23 0.00 0.00 176.35 173.89 2yr3 s LYS 19 N -4.66 0.95 0.39 1.70 -2.85 -1.26 -4.89 119.74 109.11 2yr3 s LYS 19 Ca 0.62 -1.41 -0.24 0.00 -1.00 0.00 0.00 55.97 53.95 2yr3 s LYS 19 Cb -0.17 -0.34 -0.13 0.00 -2.06 0.00 0.00 37.83 35.13 2yr3 s LYS 19 CO 0.51 -0.01 0.62 -0.40 0.10 0.00 0.00 175.35 176.16 2yr3 n ASP 20 N -0.13 -0.55 -3.93 0.03 5.75 -1.26 -4.81 116.55 111.64 2yr3 n ASP 20 Ca -0.11 0.96 -0.10 0.00 -0.01 0.00 0.00 54.79 55.54 2yr3 n ASP 20 Cb 0.61 -1.13 -0.11 0.00 -1.03 0.00 0.00 41.12 39.46 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 -1.32 1.60 0.03 0.00 0.00 -1.26 -2.51 121.76 118.29 2yr3 s ALA 22 Ca -0.14 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 2yr3 s ALA 22 Cb -0.08 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 2yr3 s ALA 22 CO -0.00 0.26 0.02 0.54 0.00 0.00 0.00 175.76 176.58 2yr3 s VAL 23 N 0.18 0.14 0.13 0.00 0.11 -0.82 -5.03 120.40 115.11 2yr3 s VAL 23 Ca -0.08 -1.14 -0.03 0.00 -2.93 0.00 0.00 61.98 57.80 2yr3 s VAL 23 Cb -0.13 -0.73 -0.05 0.00 -1.53 0.00 0.00 36.38 33.93 2yr3 s VAL 23 CO 0.03 -0.63 0.34 -0.63 -3.33 0.00 0.00 175.10 170.89 2yr3 s ILE 24 N -2.33 5.22 -0.14 7.04 1.01 -1.26 0.62 121.20 131.36 2yr3 s ILE 24 Ca -0.08 -0.09 -0.33 0.00 0.00 0.00 0.00 60.65 60.15 2yr3 s ILE 24 Cb -0.03 -3.63 -0.11 0.00 0.01 0.00 0.00 42.46 38.69 2yr3 s ILE 24 CO -0.04 0.04 1.97 1.21 0.00 0.00 0.00 174.94 178.13 2yr3 n GLU 25 N 0.06 2.00 0.00 2.79 2.13 -1.09 -0.67 120.64 125.85 2yr3 n GLU 25 Ca -0.03 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.49 2yr3 n GLU 25 Cb 0.52 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.53 2yr3 n GLU 25 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2yr3 n GLY 26 N 4.90 2.64 3.68 8.31 0.00 -1.08 -4.97 105.19 118.67 2yr3 n GLY 26 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.37 -0.49 -0.07 1.61 -1.52 0.15 -4.07 119.66 114.91 2yr3 s GLN 27 Ca 0.00 -0.04 0.05 0.00 -1.95 0.00 0.00 55.36 53.41 2yr3 s GLN 27 Cb 0.00 -1.68 -0.00 0.00 -0.22 0.00 0.00 33.01 31.11 2yr3 s GLN 27 CO 0.00 -3.23 -0.23 0.16 -0.25 0.00 0.00 175.29 171.74 2yr3 s ASP 28 N -4.05 2.86 -0.04 5.90 -4.77 -1.26 -1.74 116.67 113.56 2yr3 s ASP 28 Ca 0.70 -0.49 0.01 0.00 -3.30 0.00 0.00 52.55 49.47 2yr3 s ASP 28 Cb -0.10 -0.99 0.02 0.00 -1.09 0.00 0.00 42.92 40.76 2yr3 s ASP 28 CO 0.55 0.19 -0.05 0.72 0.70 0.00 0.00 175.17 177.29 2yr3 s PHE 29 N 0.08 0.74 -0.23 2.11 -0.12 -1.07 -5.00 117.98 114.49 2yr3 s PHE 29 Ca -0.09 -0.20 0.02 0.00 -0.05 0.00 0.00 56.93 56.61 2yr3 s PHE 29 Cb -0.15 -0.64 0.05 0.00 -0.63 0.00 0.00 43.02 41.65 2yr3 s PHE 29 CO 0.05 -0.17 -0.11 0.54 -0.05 0.00 0.00 175.22 175.48 2yr3 s VAL 30 N 0.80 1.95 -0.43 -2.49 0.11 -1.26 -1.52 120.40 117.57 2yr3 s VAL 30 Ca -0.11 -1.36 -0.28 0.00 -2.93 0.00 0.00 61.98 57.30 2yr3 s VAL 30 Cb -0.14 -2.04 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 2yr3 s VAL 30 CO 0.00 0.07 1.55 -0.76 -3.33 0.00 0.00 175.10 172.63 2yr3 s LEU 31 N 1.23 3.51 -0.13 2.54 1.43 -0.88 -4.80 118.68 121.57 2yr3 s LEU 31 Ca -0.05 0.84 -0.03 0.00 -1.03 0.00 0.00 54.13 53.85 2yr3 s LEU 31 Cb -0.18 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 2yr3 s LEU 31 CO -0.07 -1.62 -0.01 -1.58 0.23 0.00 0.00 176.35 173.30 2yr3 s GLN 32 N 5.37 3.46 0.17 1.70 0.74 -1.26 -2.12 119.66 127.72 2yr3 s GLN 32 Ca 0.65 -0.47 -0.07 0.00 0.05 0.00 0.00 55.36 55.53 2yr3 s GLN 32 Cb -0.15 -2.90 -0.02 0.00 1.10 0.00 0.00 33.01 31.04 2yr3 s GLN 32 CO 0.31 0.40 0.23 0.00 -0.55 0.00 0.00 175.29 175.69 2yr3 s SER 34 N -3.02 3.69 -0.08 0.00 0.15 -1.24 -2.40 113.70 110.80 2yr3 s SER 34 Ca 0.22 -0.48 -0.00 0.00 0.70 0.00 0.00 55.95 56.39 2yr3 s SER 34 Cb 0.04 -1.58 0.03 0.00 -1.71 0.00 0.00 66.02 62.80 2yr3 s SER 34 CO 0.03 0.05 -0.03 0.54 1.20 0.00 0.00 173.24 175.03 2yr3 s VAL 35 N 1.01 0.60 0.38 4.45 0.11 -0.82 -1.68 120.40 124.46 2yr3 s VAL 35 Ca -0.02 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.00 2yr3 s VAL 35 Cb -0.15 -0.69 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2yr3 s VAL 35 CO -0.03 0.28 0.57 -0.13 -3.33 0.00 0.00 175.10 172.46 2yr3 s ARG 36 N 1.63 3.17 0.00 1.54 0.52 0.07 -4.60 118.95 121.28 2yr3 s ARG 36 Ca 0.01 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 2yr3 s ARG 36 Cb -0.13 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.66 2yr3 s ARG 36 CO -0.05 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.63 2yr3 n GLY 37 N -1.85 2.93 3.64 -3.53 0.00 -1.26 -1.43 105.19 103.69 2yr3 n GLY 37 Ca -0.01 -1.06 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.70 1.14 2.61 2.01 -0.96 -4.24 115.64 113.51 2yr3 s THR 38 Ca 0.00 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 2yr3 s THR 38 Cb 0.00 -1.00 0.26 0.00 0.01 0.00 0.00 72.50 71.77 2yr3 s THR 38 CO 0.00 0.00 1.10 -2.16 -0.69 0.00 0.00 174.62 172.87 2yr3 s PRO 39 N 2.52 -0.70 -0.16 4.92 0.04 -1.26 -1.49 135.00 138.88 2yr3 s PRO 39 Ca -0.07 0.12 -0.36 0.00 0.04 0.00 0.00 61.00 60.73 2yr3 s PRO 39 Cb -0.10 -1.64 -0.13 0.00 0.04 0.00 0.00 34.50 32.67 2yr3 s PRO 39 CO -0.19 -3.40 1.83 0.28 0.04 0.00 0.00 177.00 175.56 2yr3 n VAL 40 N -4.58 0.48 -2.04 -0.36 0.31 -1.26 -4.83 118.33 106.06 2yr3 n VAL 40 Ca 0.10 -0.09 -0.34 0.00 -0.01 0.00 0.00 64.34 64.01 2yr3 n VAL 40 Cb 0.59 -1.64 0.02 0.00 -0.91 0.00 0.00 33.84 31.90 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 3.87 3.11 0.05 5.55 0.04 -1.26 -4.92 135.00 141.44 2yr3 s PRO 41 Ca 0.95 1.51 -0.31 0.00 0.04 0.00 0.00 61.00 63.19 2yr3 s PRO 41 Cb -0.83 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 31.66 2yr3 s PRO 41 CO 0.57 -1.03 1.49 1.03 0.04 0.00 0.00 177.00 179.10 2yr3 s ARG 42 N -3.65 4.26 -0.45 4.56 3.00 -0.82 -4.77 118.95 121.09 2yr3 s ARG 42 Ca 0.70 2.12 -0.18 0.00 0.00 0.00 0.00 55.73 58.37 2yr3 s ARG 42 Cb -0.22 -3.51 0.04 0.00 0.00 0.00 0.00 34.95 31.25 2yr3 s ARG 42 CO 0.33 -0.61 0.48 0.42 0.00 0.00 0.00 175.30 175.93 2yr3 s ILE 43 N 2.22 5.05 -0.08 1.52 -1.09 -1.26 -3.82 121.20 123.74 2yr3 s ILE 43 Ca 0.67 -0.45 0.01 0.00 -2.23 0.00 0.00 60.65 58.65 2yr3 s ILE 43 Cb -0.35 -4.12 0.02 0.00 -1.58 0.00 0.00 42.46 36.43 2yr3 s ILE 43 CO 0.29 -0.54 -0.10 -0.89 -1.23 0.00 0.00 174.94 172.48 2yr3 s THR 44 N 2.21 1.05 -0.20 2.92 2.01 -1.16 -4.99 115.64 117.47 2yr3 s THR 44 Ca 0.12 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 61.64 2yr3 s THR 44 Cb -0.18 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 2yr3 s THR 44 CO 0.13 0.35 0.16 0.26 -0.69 0.00 0.00 174.62 174.83 2yr3 s TRP 45 N 1.12 3.40 -0.17 4.92 0.52 -1.26 -1.58 118.94 125.90 2yr3 s TRP 45 Ca -0.06 0.35 -0.00 0.00 0.02 0.00 0.00 56.10 56.41 2yr3 s TRP 45 Cb -0.14 -2.21 0.00 0.00 -1.15 0.00 0.00 33.47 29.97 2yr3 s TRP 45 CO -0.02 0.23 -0.15 -0.51 0.02 0.00 0.00 176.95 176.52 2yr3 s LEU 46 N 0.54 2.41 -0.04 2.99 1.43 0.62 -2.89 118.68 123.74 2yr3 s LEU 46 Ca 0.09 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2yr3 s LEU 46 Cb -0.12 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 2yr3 s LEU 46 CO 0.00 0.04 -0.25 -0.22 0.23 0.00 0.00 176.35 176.16 2yr3 s LEU 47 N 1.07 2.05 -1.46 1.79 2.96 0.14 -1.09 118.68 124.14 2yr3 s LEU 47 Ca -0.01 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 2yr3 s LEU 47 Cb -0.14 -1.33 0.00 0.00 0.50 0.00 0.00 46.19 45.22 2yr3 s LEU 47 CO -0.05 0.26 0.00 0.59 -1.32 0.00 0.00 176.35 175.84 2yr3 n ASN 48 N 2.79 -4.68 -0.81 3.68 3.02 -1.24 -0.57 115.26 117.45 2yr3 n ASN 48 Ca -0.17 0.17 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 2yr3 n ASN 48 Cb 0.52 -4.00 -0.01 0.00 -0.61 0.00 0.00 39.78 35.68 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 -0.76 0.13 3.14 7.41 0.00 -1.26 -5.03 105.19 108.82 2yr3 n GLY 49 Ca -0.19 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.24 0.41 0.23 1.61 -2.07 0.27 -5.15 119.66 110.72 2yr3 s GLN 50 Ca 0.00 0.06 -0.30 0.00 -1.82 0.00 0.00 55.36 53.30 2yr3 s GLN 50 Cb 0.00 0.19 -0.09 0.00 -1.09 0.00 0.00 33.01 32.01 2yr3 s GLN 50 CO 0.00 -0.08 1.29 -1.25 -1.32 0.00 0.00 175.29 173.92 2yr3 s PRO 51 N -0.52 4.41 -0.16 9.60 0.04 -1.26 -0.68 135.00 146.43 2yr3 s PRO 51 Ca -0.06 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.82 2yr3 s PRO 51 Cb -0.04 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2yr3 s PRO 51 CO 0.01 -0.19 0.60 0.42 0.04 0.00 0.00 177.00 177.88 2yr3 s ILE 52 N -0.21 5.07 -0.18 0.56 1.01 -1.14 -4.91 121.20 121.40 2yr3 s ILE 52 Ca 0.54 1.17 0.07 0.00 0.00 0.00 0.00 60.65 62.43 2yr3 s ILE 52 Cb -0.36 -3.93 -0.22 0.00 0.01 0.00 0.00 42.46 37.96 2yr3 s ILE 52 CO 0.41 0.19 0.13 0.00 0.00 0.00 0.00 174.94 175.66 2yr3 n GLN 53 N 4.50 0.68 -0.15 2.79 10.64 -1.26 -4.18 117.38 130.40 2yr3 n GLN 53 Ca -0.03 0.14 0.06 0.00 -1.83 0.00 0.00 57.00 55.34 2yr3 n GLN 53 Cb 0.50 -1.60 0.17 0.00 -0.86 0.00 0.00 30.24 28.46 2yr3 n GLN 53 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 2yr3 n TYR 54 N -3.10 0.40 -1.99 2.61 4.11 -1.26 -4.92 117.16 113.01 2yr3 n TYR 54 Ca -0.34 -0.20 -0.38 0.00 -0.00 0.00 0.00 57.90 56.97 2yr3 n TYR 54 Cb 1.07 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 40.42 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 -1.60 2.98 -0.47 -3.48 0.00 -1.26 -4.94 121.76 112.99 2yr3 s ALA 55 Ca 0.23 1.19 0.03 0.00 0.00 0.00 0.00 51.96 53.41 2yr3 s ALA 55 Cb 0.12 -3.49 0.48 0.00 0.00 0.00 0.00 23.12 20.23 2yr3 s ALA 55 CO 0.16 -1.02 1.68 -2.13 0.00 0.00 0.00 175.76 174.45 2yr3 n ARG 56 N -0.57 2.78 -1.65 0.00 0.63 -1.26 -5.04 116.66 111.55 2yr3 n ARG 56 Ca 0.08 -3.51 -0.42 0.00 -0.92 0.00 0.00 57.85 53.07 2yr3 n ARG 56 Cb 0.46 -2.20 0.00 0.00 0.45 0.00 0.00 32.46 31.17 2yr3 n ARG 56 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2yr3 n SER 57 N -0.91 1.94 -3.51 6.15 3.41 -1.26 -4.17 113.62 115.27 2yr3 n SER 57 Ca 0.52 1.13 -0.16 0.00 -0.26 0.00 0.00 58.87 60.10 2yr3 n SER 57 Cb 0.92 -1.40 -0.12 0.00 -0.26 0.00 0.00 64.21 63.34 2yr3 n SER 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2yr3 s THR 58 N -1.16 -0.38 -0.27 6.66 -4.23 0.15 -4.98 115.64 111.42 2yr3 s THR 58 Ca 0.59 -0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.98 2yr3 s THR 58 Cb -0.58 -0.64 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 2yr3 s THR 58 CO 0.59 -0.12 0.18 0.00 -0.54 0.00 0.00 174.62 174.74 2yr3 s GLU 60 N 1.67 1.57 -1.58 0.00 2.02 -1.02 -4.79 118.70 116.58 2yr3 s GLU 60 Ca 0.07 -0.32 -0.15 0.00 0.02 0.00 0.00 54.97 54.59 2yr3 s GLU 60 Cb -0.16 -1.69 0.11 0.00 0.10 0.00 0.00 34.13 32.49 2yr3 s GLU 60 CO 0.10 -0.29 0.93 0.00 0.02 0.00 0.00 175.26 176.02 2yr3 n ALA 61 N 4.92 -1.26 -2.37 5.21 0.00 -1.26 -0.98 120.51 124.77 2yr3 n ALA 61 Ca -0.13 0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 2yr3 n ALA 61 Cb 0.50 -4.23 0.01 0.00 0.00 0.00 0.00 19.45 15.72 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 -1.60 0.35 2.79 0.00 0.00 -1.26 -4.99 105.19 100.48 2yr3 n GLY 62 Ca 0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.59 1.68 0.14 1.61 1.01 -0.15 -1.94 120.40 120.16 2yr3 s VAL 63 Ca 0.06 -2.60 -0.31 0.00 0.00 0.00 0.00 61.98 59.13 2yr3 s VAL 63 Cb -0.03 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 34.08 2yr3 s VAL 63 CO 0.07 -0.83 1.38 0.00 0.00 0.00 0.00 175.10 175.72 2yr3 s ALA 64 N 0.37 3.58 -0.09 5.51 0.00 -1.01 -2.45 121.76 127.67 2yr3 s ALA 64 Ca 0.16 1.13 -0.04 0.00 0.00 0.00 0.00 51.96 53.21 2yr3 s ALA 64 Cb -0.24 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.40 2yr3 s ALA 64 CO -0.03 -0.60 0.20 -1.21 0.00 0.00 0.00 175.76 174.13 2yr3 s GLU 65 N 0.75 0.16 -0.29 0.00 2.02 -0.79 -1.32 118.70 119.23 2yr3 s GLU 65 Ca 0.63 0.46 0.02 0.00 0.02 0.00 0.00 54.97 56.10 2yr3 s GLU 65 Cb -0.37 -0.14 0.08 0.00 0.10 0.00 0.00 34.13 33.80 2yr3 s GLU 65 CO 0.33 -0.16 -0.01 -1.17 0.02 0.00 0.00 175.26 174.26 2yr3 s LEU 66 N 1.21 3.49 -0.10 1.80 2.96 -0.90 0.31 118.68 127.45 2yr3 s LEU 66 Ca -0.09 -1.63 -0.25 0.00 -0.22 0.00 0.00 54.13 51.94 2yr3 s LEU 66 Cb -0.11 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 2yr3 s LEU 66 CO -0.07 -0.30 0.79 -1.00 -1.32 0.00 0.00 176.35 174.45 2yr3 s HIS 67 N 1.19 3.52 -0.33 5.38 3.76 -1.26 -2.08 115.29 125.47 2yr3 s HIS 67 Ca 0.01 1.30 0.02 0.00 -0.15 0.00 0.00 55.06 56.24 2yr3 s HIS 67 Cb -0.19 -2.93 0.10 0.00 1.11 0.00 0.00 32.58 30.67 2yr3 s HIS 67 CO -0.09 -0.07 0.07 0.42 -0.85 0.00 0.00 174.74 174.22 2yr3 s ILE 68 N 1.42 1.65 0.48 0.60 -1.09 -0.57 -4.39 121.20 119.29 2yr3 s ILE 68 Ca 0.39 -1.92 -0.11 0.00 -2.23 0.00 0.00 60.65 56.79 2yr3 s ILE 68 Cb -0.18 -2.23 -0.06 0.00 -1.58 0.00 0.00 42.46 38.42 2yr3 s ILE 68 CO 0.17 -0.63 0.86 0.00 -1.23 0.00 0.00 174.94 174.11 2yr3 s GLN 69 N 1.22 3.73 -1.24 2.79 -2.07 -1.26 -2.59 119.66 120.25 2yr3 s GLN 69 Ca 0.10 0.56 -0.00 0.00 -1.82 0.00 0.00 55.36 54.20 2yr3 s GLN 69 Cb -0.18 -2.29 0.00 0.00 -1.09 0.00 0.00 33.01 29.45 2yr3 s GLN 69 CO -0.16 -0.21 0.89 -0.25 -1.32 0.00 0.00 175.29 174.25 2yr3 n ASP 70 N -1.79 -1.73 -4.54 12.60 9.92 -1.18 -4.77 116.55 125.06 2yr3 n ASP 70 Ca 0.03 -0.69 -0.28 0.00 -0.53 0.00 0.00 54.79 53.33 2yr3 n ASP 70 Cb 0.54 -4.75 -0.09 0.00 -0.64 0.00 0.00 41.12 36.18 2yr3 n ASP 70 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yr3 n ALA 71 N -4.18 0.61 -1.82 2.24 0.00 -0.71 -4.68 120.51 111.96 2yr3 n ALA 71 Ca -0.29 -0.96 -0.32 0.00 0.00 0.00 0.00 53.44 51.87 2yr3 n ALA 71 Cb 0.67 -2.96 -0.01 0.00 0.00 0.00 0.00 19.45 17.14 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 10.83 3.48 0.09 0.00 1.43 -1.26 -2.63 118.68 130.62 2yr3 s LEU 72 Ca 1.08 1.55 0.17 0.00 -1.03 0.00 0.00 54.13 55.90 2yr3 s LEU 72 Cb -0.44 -4.50 0.74 0.00 0.03 0.00 0.00 46.19 42.02 2yr3 s LEU 72 CO 0.29 -0.76 1.54 -0.81 0.23 0.00 0.00 176.35 176.85 2yr3 n PRO 73 N -2.02 0.07 0.00 1.29 -0.04 -1.26 -1.93 135.00 131.10 2yr3 n PRO 73 Ca 0.07 0.32 0.10 0.00 -0.04 0.00 0.00 63.50 63.94 2yr3 n PRO 73 Cb 0.54 -1.63 0.07 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.76 1.77 -0.03 0.54 0.28 -1.26 -4.31 120.64 115.87 2yr3 n GLU 74 Ca 0.03 -1.57 -0.10 0.00 -0.16 0.00 0.00 57.16 55.36 2yr3 n GLU 74 Cb 0.19 -1.39 -0.14 0.00 1.43 0.00 0.00 31.44 31.53 2yr3 n GLU 74 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2yr3 n ASP 75 N 0.92 0.84 -4.45 -1.84 -0.08 -0.82 -4.95 116.55 106.18 2yr3 n ASP 75 Ca 0.11 0.33 -0.38 0.00 -1.51 0.00 0.00 54.79 53.35 2yr3 n ASP 75 Cb 0.49 0.04 0.04 0.00 2.34 0.00 0.00 41.12 44.03 2yr3 n ASP 75 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2yr3 n HIS 76 N -3.03 -0.91 0.00 -0.67 1.44 -1.23 -4.88 115.22 105.94 2yr3 n HIS 76 Ca -0.21 0.41 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 2yr3 n HIS 76 Cb 1.07 -1.92 0.00 0.00 0.12 0.00 0.00 29.99 29.26 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 1.82 -0.56 2.68 -1.39 0.00 -1.25 -4.99 105.19 101.51 2yr3 n GLY 77 Ca 0.11 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.09 0.62 0.41 2.61 2.01 -1.26 -3.07 115.64 116.87 2yr3 s THR 78 Ca 0.00 -1.21 -0.22 0.00 0.31 0.00 0.00 61.69 60.57 2yr3 s THR 78 Cb 0.00 -1.47 -0.10 0.00 0.01 0.00 0.00 72.50 70.94 2yr3 s THR 78 CO 0.00 -0.68 0.97 -0.31 -0.69 0.00 0.00 174.62 173.91 2yr3 s TYR 79 N 1.75 3.35 -0.12 4.92 1.51 -0.82 -3.61 117.35 124.33 2yr3 s TYR 79 Ca 0.09 1.65 -0.05 0.00 -1.01 0.00 0.00 57.07 57.76 2yr3 s TYR 79 Cb -0.17 -2.93 0.06 0.00 -0.11 0.00 0.00 41.96 38.81 2yr3 s TYR 79 CO -0.28 -0.20 0.25 0.99 -1.11 0.00 0.00 175.55 175.20 2yr3 s THR 80 N -1.95 -0.32 -0.32 -0.71 2.01 -0.25 -0.53 115.64 113.57 2yr3 s THR 80 Ca 0.59 0.25 -0.10 0.00 0.31 0.00 0.00 61.69 62.75 2yr3 s THR 80 Cb -0.14 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 71.95 2yr3 s THR 80 CO 0.18 0.11 0.16 0.00 -0.69 0.00 0.00 174.62 174.38 2yr3 s LEU 82 N 1.59 4.06 -0.30 0.00 2.96 -0.61 -2.07 118.68 124.31 2yr3 s LEU 82 Ca 0.04 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 2yr3 s LEU 82 Cb -0.18 -2.14 0.09 0.00 0.50 0.00 0.00 46.19 44.47 2yr3 s LEU 82 CO 0.06 -0.01 0.03 0.00 -1.32 0.00 0.00 176.35 175.10 2yr3 s ALA 83 N 1.50 2.28 0.08 5.97 0.00 0.44 -2.98 121.76 129.05 2yr3 s ALA 83 Ca 0.08 -1.96 0.05 0.00 0.00 0.00 0.00 51.96 50.13 2yr3 s ALA 83 Cb -0.15 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 2yr3 s ALA 83 CO 0.08 -1.53 -0.13 -1.83 0.00 0.00 0.00 175.76 172.36 2yr3 s GLU 84 N 1.23 0.82 0.18 0.00 -1.05 -1.25 -1.51 118.70 117.11 2yr3 s GLU 84 Ca 0.05 -0.98 0.04 0.00 -0.15 0.00 0.00 54.97 53.93 2yr3 s GLU 84 Cb -0.19 -0.78 -0.01 0.00 -0.44 0.00 0.00 34.13 32.71 2yr3 s GLU 84 CO -0.12 0.17 0.13 0.27 0.95 0.00 0.00 175.26 176.66 2yr3 n ASN 85 N 1.18 -0.07 0.31 0.83 0.23 -0.01 -1.94 115.26 115.80 2yr3 n ASN 85 Ca -0.21 -2.14 0.21 0.00 -0.53 0.00 0.00 54.58 51.92 2yr3 n ASN 85 Cb 0.55 0.80 1.08 0.00 -2.08 0.00 0.00 39.78 40.13 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 1.51 1.00 -1.37 -2.53 0.00 -1.89 -3.27 119.26 112.71 2yr3 h ALA 86 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2yr3 h ALA 86 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2yr3 h ALA 86 CO 0.20 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.73 2yr3 n LEU 87 N -3.00 1.00 0.00 0.00 7.99 -1.26 -5.07 117.00 116.65 2yr3 n LEU 87 Ca -0.02 0.20 0.00 0.00 -0.01 0.00 0.00 56.01 56.18 2yr3 n LEU 87 Cb 0.11 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.14 2yr3 n LEU 87 CO 0.20 -0.27 0.00 0.61 -1.51 0.00 0.00 177.39 176.42 2yr3 n GLY 88 N 2.15 6.37 3.51 -0.72 0.00 -1.23 -5.00 105.19 110.27 2yr3 n GLY 88 Ca 0.00 -1.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 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 0.33 0.58 0.02 1.61 -2.07 -1.26 -0.83 119.66 118.04 2yr3 s GLN 89 Ca 0.00 1.10 -0.02 0.00 -1.82 0.00 0.00 55.36 54.63 2yr3 s GLN 89 Cb 0.00 0.17 -0.02 0.00 -1.09 0.00 0.00 33.01 32.07 2yr3 s GLN 89 CO 0.00 -0.16 0.01 0.14 -1.32 0.00 0.00 175.29 173.96 2yr3 s VAL 90 N 1.73 0.11 0.05 3.63 -7.23 -0.57 -4.97 120.40 113.14 2yr3 s VAL 90 Ca -0.09 -0.89 -0.02 0.00 -1.81 0.00 0.00 61.98 59.17 2yr3 s VAL 90 Cb -0.07 -0.34 -0.03 0.00 0.56 0.00 0.00 36.38 36.50 2yr3 s VAL 90 CO -0.17 -0.49 -0.00 -0.94 -0.31 0.00 0.00 175.10 173.19 2yr3 s SER 91 N -1.50 0.38 -0.07 4.85 1.04 -1.26 -0.42 113.70 116.73 2yr3 s SER 91 Ca -0.15 -0.83 -0.13 0.00 0.48 0.00 0.00 55.95 55.32 2yr3 s SER 91 Cb -0.09 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.25 2yr3 s SER 91 CO -0.01 -0.54 0.31 0.00 0.98 0.00 0.00 173.24 173.98 2yr3 s SER 93 N -0.61 3.84 -0.18 0.00 1.04 -1.26 -0.62 113.70 115.90 2yr3 s SER 93 Ca -0.07 -1.01 -0.12 0.00 0.48 0.00 0.00 55.95 55.23 2yr3 s SER 93 Cb -0.04 -0.42 0.06 0.00 0.10 0.00 0.00 66.02 65.72 2yr3 s SER 93 CO 0.02 -0.06 0.46 0.00 0.98 0.00 0.00 173.24 174.64 2yr3 s ALA 94 N -2.51 -1.17 -0.05 5.32 0.00 0.32 -4.72 121.76 118.95 2yr3 s ALA 94 Ca 0.31 1.57 -0.24 0.00 0.00 0.00 0.00 51.96 53.61 2yr3 s ALA 94 Cb -0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2yr3 s ALA 94 CO 0.17 -0.27 0.71 -0.46 0.00 0.00 0.00 175.76 175.91 2yr3 s TRP 95 N 1.11 3.61 -0.02 0.00 -0.11 -1.26 -1.94 118.94 120.33 2yr3 s TRP 95 Ca -0.07 1.29 0.08 0.00 1.22 0.00 0.00 56.10 58.61 2yr3 s TRP 95 Cb -0.07 -2.80 -0.02 0.00 -1.50 0.00 0.00 33.47 29.08 2yr3 s TRP 95 CO -0.10 0.13 -0.26 0.08 -4.62 0.00 0.00 176.95 172.18 2yr3 s VAL 96 N 0.62 2.09 -0.07 5.86 1.01 -1.17 -3.44 120.40 125.29 2yr3 s VAL 96 Ca 0.38 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2yr3 s VAL 96 Cb -0.18 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.48 2yr3 s VAL 96 CO 0.19 0.57 -0.16 -0.89 0.00 0.00 0.00 175.10 174.81 2yr3 s THR 97 N -0.62 1.41 -0.36 3.92 2.01 -1.05 -3.80 115.64 117.15 2yr3 s THR 97 Ca 0.10 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 2yr3 s THR 97 Cb -0.10 -1.24 0.08 0.00 0.01 0.00 0.00 72.50 71.25 2yr3 s THR 97 CO -0.01 0.41 0.11 -0.69 -0.69 0.00 0.00 174.62 173.75 2yr3 s VAL 98 N 0.44 3.11 -1.24 3.82 1.01 -1.26 -1.95 120.40 124.34 2yr3 s VAL 98 Ca -0.13 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.08 2yr3 s VAL 98 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2yr3 s VAL 98 CO 0.05 -0.43 0.31 1.41 0.00 0.00 0.00 175.10 176.44