#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 1.44 -4.89 1.61 7.64 -1.26 -5.00 113.62 113.16 2yr3 n SER 2 Ca 0.00 0.70 -0.31 0.00 1.01 0.00 0.00 58.87 60.27 2yr3 n SER 2 Cb 0.00 -1.52 -0.05 0.00 -1.01 0.00 0.00 64.21 61.63 2yr3 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yr3 s SER 3 N -1.76 6.54 -0.67 6.43 1.04 -1.26 -5.05 113.70 118.98 2yr3 s SER 3 Ca 0.78 0.75 -0.15 0.00 0.48 0.00 0.00 55.95 57.80 2yr3 s SER 3 Cb -0.33 -2.16 0.17 0.00 0.10 0.00 0.00 66.02 63.80 2yr3 s SER 3 CO 0.46 -0.04 0.62 -0.83 0.98 0.00 0.00 173.24 174.43 2yr3 s GLY 4 N -2.54 2.33 0.13 7.32 0.00 -1.26 -5.04 107.32 108.27 2yr3 s GLY 4 Ca 0.44 -2.87 0.09 0.00 0.00 0.00 0.00 44.72 42.38 2yr3 s GLY 4 CO 0.24 1.24 -0.21 -0.56 0.00 0.00 0.00 173.10 173.81 2yr3 s SER 5 N 2.99 2.73 0.35 1.64 0.01 -1.26 -5.13 113.70 115.03 2yr3 s SER 5 Ca 0.10 -0.77 -0.26 0.00 1.31 0.00 0.00 55.95 56.33 2yr3 s SER 5 Cb -0.21 -0.16 -0.09 0.00 0.21 0.00 0.00 66.02 65.76 2yr3 s SER 5 CO -0.02 0.04 1.04 -0.55 0.41 0.00 0.00 173.24 174.16 2yr3 s SER 6 N -2.25 7.03 0.00 2.44 0.15 -1.26 -4.96 113.70 114.85 2yr3 s SER 6 Ca 0.12 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.83 2yr3 s SER 6 Cb -0.08 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2yr3 s SER 6 CO 0.06 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2yr3 n GLY 7 N 0.66 2.39 3.74 9.45 0.00 -1.26 -5.13 105.19 115.05 2yr3 n GLY 7 Ca 0.03 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.45 4.59 1.18 1.61 0.00 -1.26 -5.02 119.30 119.95 2yr3 s MET 8 Ca 0.00 1.75 -0.17 0.00 0.00 0.00 0.00 55.69 57.27 2yr3 s MET 8 Cb 0.00 -3.26 0.21 0.00 0.00 0.00 0.00 34.83 31.78 2yr3 s MET 8 CO 0.00 0.07 0.48 0.39 0.00 0.00 0.00 175.02 175.96 2yr3 n GLU 9 N 2.24 -2.38 -3.98 3.16 1.02 -1.26 -5.03 120.64 114.42 2yr3 n GLU 9 Ca 0.02 -0.68 -0.09 0.00 -0.02 0.00 0.00 57.16 56.40 2yr3 n GLU 9 Cb 0.46 -1.87 -0.10 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.27 0.15 0.45 2.62 1.01 0.03 -4.93 120.40 117.46 2yr3 s VAL 10 Ca 0.60 -1.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 2yr3 s VAL 10 Cb -0.17 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2yr3 s VAL 10 CO 0.63 -0.69 0.73 0.00 0.00 0.00 0.00 175.10 175.77 2yr3 s ALA 11 N -2.78 3.47 0.08 5.51 0.00 -1.26 -2.07 121.76 124.71 2yr3 s ALA 11 Ca -0.04 -0.60 -0.31 0.00 0.00 0.00 0.00 51.96 51.02 2yr3 s ALA 11 Cb -0.00 -2.47 -0.07 0.00 0.00 0.00 0.00 23.12 20.57 2yr3 s ALA 11 CO -0.06 -0.26 1.39 -1.25 0.00 0.00 0.00 175.76 175.58 2yr3 s PRO 12 N -4.61 4.31 -0.13 0.00 0.04 -1.26 -4.19 135.00 129.16 2yr3 s PRO 12 Ca 0.46 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.45 2yr3 s PRO 12 Cb -0.10 -3.35 0.05 0.00 0.04 0.00 0.00 34.50 31.14 2yr3 s PRO 12 CO 0.42 -0.47 0.32 -1.54 0.04 0.00 0.00 177.00 175.78 2yr3 s SER 13 N 1.35 -0.38 -0.63 6.66 1.04 -0.99 -4.59 113.70 116.16 2yr3 s SER 13 Ca 0.64 0.69 -0.26 0.00 0.48 0.00 0.00 55.95 57.50 2yr3 s SER 13 Cb -0.35 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.39 2yr3 s SER 13 CO 0.29 -0.17 1.11 -0.36 0.98 0.00 0.00 173.24 175.09 2yr3 s PHE 14 N 1.22 2.57 0.27 5.02 0.08 -1.26 -0.73 117.98 125.15 2yr3 s PHE 14 Ca -0.09 -0.01 -0.04 0.00 0.12 0.00 0.00 56.93 56.91 2yr3 s PHE 14 Cb -0.09 -4.39 0.33 0.00 -0.57 0.00 0.00 43.02 38.30 2yr3 s PHE 14 CO -0.10 -1.68 1.94 1.03 -0.10 0.00 0.00 175.22 176.32 2yr3 h SER 15 N 9.63 1.08 -2.59 1.36 0.87 -1.38 -3.40 113.55 119.12 2yr3 h SER 15 Ca -0.27 -0.03 -0.38 0.00 -1.23 0.00 0.00 61.79 59.88 2yr3 h SER 15 Cb 1.06 -0.27 -0.37 0.00 -0.44 0.00 0.00 62.40 62.38 2yr3 h SER 15 CO 1.19 0.78 -0.68 -0.55 -0.53 0.00 0.00 176.83 177.04 2yr3 s SER 16 N -6.18 2.00 0.89 6.23 0.15 -0.66 -4.98 113.70 111.16 2yr3 s SER 16 Ca -0.12 -0.60 -0.11 0.00 0.70 0.00 0.00 55.95 55.82 2yr3 s SER 16 Cb 0.18 0.16 0.12 0.00 -1.71 0.00 0.00 66.02 64.78 2yr3 s SER 16 CO 0.81 -0.36 1.09 0.68 1.20 0.00 0.00 173.24 176.66 2yr3 s VAL 17 N 2.26 2.71 1.04 4.45 -7.23 -1.26 -1.93 120.40 120.44 2yr3 s VAL 17 Ca 0.07 0.23 -0.12 0.00 -1.81 0.00 0.00 61.98 60.35 2yr3 s VAL 17 Cb -0.15 -2.63 0.22 0.00 0.56 0.00 0.00 36.38 34.37 2yr3 s VAL 17 CO -0.20 -0.30 1.07 -0.76 -0.31 0.00 0.00 175.10 174.59 2yr3 s LEU 18 N -6.26 1.53 0.11 1.32 1.43 -1.26 -4.87 118.68 110.67 2yr3 s LEU 18 Ca 0.64 1.52 0.03 0.00 -1.03 0.00 0.00 54.13 55.29 2yr3 s LEU 18 Cb -0.19 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 2yr3 s LEU 18 CO 0.57 -3.53 -0.08 -0.54 0.23 0.00 0.00 176.35 173.01 2yr3 s LYS 19 N -4.69 0.89 0.22 1.70 -0.14 -1.26 -5.03 119.74 111.44 2yr3 s LYS 19 Ca 0.67 -1.35 -0.31 0.00 -1.36 0.00 0.00 55.97 53.61 2yr3 s LYS 19 Cb -0.22 -0.34 -0.11 0.00 -1.68 0.00 0.00 37.83 35.47 2yr3 s LYS 19 CO 0.61 0.01 1.66 -0.51 -0.76 0.00 0.00 175.35 176.37 2yr3 s ASP 20 N -3.02 6.41 0.01 2.83 1.11 -1.26 -4.84 116.67 117.90 2yr3 s ASP 20 Ca 0.13 2.84 -0.01 0.00 0.18 0.00 0.00 52.55 55.69 2yr3 s ASP 20 Cb 0.04 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.41 2yr3 s ASP 20 CO -0.03 -0.93 0.00 0.00 1.18 0.00 0.00 175.17 175.39 2yr3 s ALA 22 N -0.84 1.97 0.08 0.00 0.00 -1.26 -3.47 121.76 118.24 2yr3 s ALA 22 Ca -0.09 -1.19 -0.08 0.00 0.00 0.00 0.00 51.96 50.60 2yr3 s ALA 22 Cb -0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 2yr3 s ALA 22 CO -0.00 0.45 0.18 0.54 0.00 0.00 0.00 175.76 176.92 2yr3 s VAL 23 N -0.87 0.15 -0.00 0.00 0.11 -1.11 -5.02 120.40 113.65 2yr3 s VAL 23 Ca 0.09 -1.20 -0.02 0.00 -2.93 0.00 0.00 61.98 57.92 2yr3 s VAL 23 Cb -0.09 -1.32 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 2yr3 s VAL 23 CO 0.03 -0.66 0.17 -0.63 -3.33 0.00 0.00 175.10 170.68 2yr3 s ILE 24 N -3.79 5.35 0.20 7.04 1.09 -1.26 1.00 121.20 130.82 2yr3 s ILE 24 Ca 0.04 -0.20 -0.32 0.00 -1.10 0.00 0.00 60.65 59.07 2yr3 s ILE 24 Cb 0.05 -3.50 -0.15 0.00 -1.06 0.00 0.00 42.46 37.79 2yr3 s ILE 24 CO -0.11 0.32 1.16 1.21 -0.10 0.00 0.00 174.94 177.42 2yr3 n GLU 25 N 0.93 1.27 0.00 2.79 0.00 -1.26 -0.96 120.64 123.41 2yr3 n GLU 25 Ca -0.11 0.45 0.00 0.00 0.00 0.00 0.00 57.16 57.50 2yr3 n GLU 25 Cb 0.52 -1.94 0.00 0.00 0.00 0.00 0.00 31.44 30.02 2yr3 n GLU 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2yr3 n GLY 26 N 1.92 2.68 3.68 8.31 0.00 -0.90 -4.98 105.19 115.90 2yr3 n GLY 26 Ca 0.14 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.35 0.22 1.61 -1.52 -0.14 -4.03 119.66 116.16 2yr3 s GLN 27 Ca 0.00 0.45 0.09 0.00 -1.95 0.00 0.00 55.36 53.94 2yr3 s GLN 27 Cb 0.00 -1.73 -0.04 0.00 -0.22 0.00 0.00 33.01 31.01 2yr3 s GLN 27 CO 0.00 -2.77 -0.00 0.16 -0.25 0.00 0.00 175.29 172.43 2yr3 s ASP 28 N -3.52 4.64 -0.28 5.90 -4.77 -1.26 -0.45 116.67 116.93 2yr3 s ASP 28 Ca 0.66 -0.53 -0.18 0.00 -3.30 0.00 0.00 52.55 49.20 2yr3 s ASP 28 Cb -0.18 -0.92 0.09 0.00 -1.09 0.00 0.00 42.92 40.81 2yr3 s ASP 28 CO 0.57 0.04 0.75 0.72 0.70 0.00 0.00 175.17 177.95 2yr3 s PHE 29 N -2.02 -0.93 -0.23 2.11 -0.12 -1.14 -4.98 117.98 110.66 2yr3 s PHE 29 Ca 0.29 1.93 0.02 0.00 -0.05 0.00 0.00 56.93 59.12 2yr3 s PHE 29 Cb -0.08 0.52 0.05 0.00 -0.63 0.00 0.00 43.02 42.89 2yr3 s PHE 29 CO 0.19 -0.46 -0.09 0.54 -0.05 0.00 0.00 175.22 175.35 2yr3 s VAL 30 N 1.31 1.83 -0.21 -2.49 0.11 -1.26 -2.55 120.40 117.14 2yr3 s VAL 30 Ca -0.08 -1.31 -0.29 0.00 -2.93 0.00 0.00 61.98 57.37 2yr3 s VAL 30 Cb -0.05 -1.96 -0.03 0.00 -1.53 0.00 0.00 36.38 32.81 2yr3 s VAL 30 CO -0.15 0.03 1.59 -0.76 -3.33 0.00 0.00 175.10 172.48 2yr3 s LEU 31 N 1.28 3.93 -0.11 2.54 1.43 -1.16 -4.78 118.68 121.80 2yr3 s LEU 31 Ca -0.05 1.63 -0.02 0.00 -1.03 0.00 0.00 54.13 54.66 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 -0.07 -1.22 -0.02 -1.58 0.23 0.00 0.00 176.35 173.70 2yr3 s GLN 32 N 4.58 3.24 0.31 1.70 0.74 -1.26 -2.34 119.66 126.63 2yr3 s GLN 32 Ca 0.70 -0.47 0.06 0.00 0.05 0.00 0.00 55.36 55.70 2yr3 s GLN 32 Cb -0.25 -2.82 -0.02 0.00 1.10 0.00 0.00 33.01 31.02 2yr3 s GLN 32 CO 0.28 0.51 0.29 0.00 -0.55 0.00 0.00 175.29 175.83 2yr3 s SER 34 N -3.12 1.64 -0.02 0.00 0.15 -0.81 -3.18 113.70 108.35 2yr3 s SER 34 Ca 0.35 -0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.76 2yr3 s SER 34 Cb 0.01 -0.68 0.01 0.00 -1.71 0.00 0.00 66.02 63.66 2yr3 s SER 34 CO 0.25 -0.06 0.06 0.54 1.20 0.00 0.00 173.24 175.22 2yr3 s VAL 35 N 1.20 -0.01 0.53 4.45 0.11 -1.22 -0.95 120.40 124.51 2yr3 s VAL 35 Ca -0.05 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2yr3 s VAL 35 Cb -0.14 -0.09 -0.00 0.00 -1.53 0.00 0.00 36.38 34.62 2yr3 s VAL 35 CO -0.02 0.02 0.02 -0.13 -3.33 0.00 0.00 175.10 171.65 2yr3 s ARG 36 N 0.25 2.23 0.00 1.54 1.81 0.09 -4.59 118.95 120.28 2yr3 s ARG 36 Ca -0.02 -2.43 0.00 0.00 -1.72 0.00 0.00 55.73 51.56 2yr3 s ARG 36 Cb -0.03 -1.53 0.00 0.00 -0.45 0.00 0.00 34.95 32.94 2yr3 s ARG 36 CO -0.01 -0.42 0.00 0.41 -0.68 0.00 0.00 175.30 174.60 2yr3 n GLY 37 N -1.33 4.72 2.83 -3.53 0.00 -1.26 -2.35 105.19 104.28 2yr3 n GLY 37 Ca -0.21 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.54 0.48 1.24 2.61 2.01 -0.88 -3.36 115.64 116.20 2yr3 s THR 38 Ca 0.00 -0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.79 2yr3 s THR 38 Cb 0.00 -0.57 0.30 0.00 0.01 0.00 0.00 72.50 72.24 2yr3 s THR 38 CO 0.00 0.25 1.11 -2.16 -0.69 0.00 0.00 174.62 173.13 2yr3 s PRO 39 N 1.50 -1.50 0.11 4.92 0.04 -1.26 -0.79 135.00 138.02 2yr3 s PRO 39 Ca -0.02 -0.16 -0.31 0.00 0.04 0.00 0.00 61.00 60.55 2yr3 s PRO 39 Cb -0.13 -1.57 -0.10 0.00 0.04 0.00 0.00 34.50 32.73 2yr3 s PRO 39 CO -0.03 -3.88 1.87 0.08 0.04 0.00 0.00 177.00 175.09 2yr3 s VAL 40 N -3.01 2.59 0.76 -0.36 1.01 -1.21 -4.86 120.40 115.31 2yr3 s VAL 40 Ca 0.72 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 2yr3 s VAL 40 Cb -0.08 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.34 2yr3 s VAL 40 CO 0.56 -0.00 1.09 -2.16 0.00 0.00 0.00 175.10 174.59 2yr3 s PRO 41 N 3.11 2.32 -0.10 2.72 0.04 -1.26 -4.90 135.00 136.93 2yr3 s PRO 41 Ca 0.83 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 2yr3 s PRO 41 Cb -0.46 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 2yr3 s PRO 41 CO 0.38 -1.60 1.04 1.03 0.04 0.00 0.00 177.00 177.89 2yr3 s ARG 42 N -4.78 4.41 -0.44 4.56 3.00 -0.84 -4.80 118.95 120.05 2yr3 s ARG 42 Ca 0.62 1.43 -0.18 0.00 0.00 0.00 0.00 55.73 57.60 2yr3 s ARG 42 Cb -0.18 -3.55 0.03 0.00 0.00 0.00 0.00 34.95 31.26 2yr3 s ARG 42 CO 0.54 -0.35 0.52 0.42 0.00 0.00 0.00 175.30 176.43 2yr3 s ILE 43 N 2.08 4.99 -0.16 1.52 -1.09 -1.26 -3.67 121.20 123.61 2yr3 s ILE 43 Ca 0.49 -0.30 -0.00 0.00 -2.23 0.00 0.00 60.65 58.61 2yr3 s ILE 43 Cb -0.19 -4.13 0.04 0.00 -1.58 0.00 0.00 42.46 36.60 2yr3 s ILE 43 CO 0.18 -0.54 -0.06 -0.89 -1.23 0.00 0.00 174.94 172.40 2yr3 s THR 44 N 2.37 1.16 -0.06 2.92 2.01 -1.14 -4.99 115.64 117.91 2yr3 s THR 44 Ca 0.15 -0.62 -0.19 0.00 0.31 0.00 0.00 61.69 61.34 2yr3 s THR 44 Cb -0.17 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 2yr3 s THR 44 CO 0.14 0.18 0.53 0.26 -0.69 0.00 0.00 174.62 175.03 2yr3 s TRP 45 N 1.62 3.60 -0.14 4.92 0.52 -1.26 -2.30 118.94 125.90 2yr3 s TRP 45 Ca 0.01 1.03 0.01 0.00 0.02 0.00 0.00 56.10 57.17 2yr3 s TRP 45 Cb -0.15 -2.56 0.02 0.00 -1.15 0.00 0.00 33.47 29.63 2yr3 s TRP 45 CO -0.08 0.28 -0.14 -0.51 0.02 0.00 0.00 176.95 176.52 2yr3 s LEU 46 N 0.16 1.69 -0.21 2.99 1.43 -1.08 -2.59 118.68 121.06 2yr3 s LEU 46 Ca 0.28 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 2yr3 s LEU 46 Cb -0.17 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2yr3 s LEU 46 CO 0.14 -0.04 0.11 -0.22 0.23 0.00 0.00 176.35 176.57 2yr3 s LEU 47 N 1.38 3.96 -1.08 1.79 2.96 0.14 -1.63 118.68 126.20 2yr3 s LEU 47 Ca 0.02 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 2yr3 s LEU 47 Cb -0.13 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.52 2yr3 s LEU 47 CO -0.09 0.12 0.00 0.59 -1.32 0.00 0.00 176.35 175.65 2yr3 n ASN 48 N 3.92 -3.82 -0.31 3.68 3.02 -1.14 -0.58 115.26 120.03 2yr3 n ASN 48 Ca -0.16 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2yr3 n ASN 48 Cb 0.52 -3.28 0.00 0.00 -0.61 0.00 0.00 39.78 36.41 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 -0.74 0.75 3.08 7.41 0.00 -1.26 -5.01 105.19 109.42 2yr3 n GLY 49 Ca -0.14 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.53 0.23 0.07 1.61 -0.21 0.26 -5.12 119.66 111.98 2yr3 s GLN 50 Ca 0.00 0.33 -0.31 0.00 0.02 0.00 0.00 55.36 55.40 2yr3 s GLN 50 Cb 0.00 0.07 -0.07 0.00 1.00 0.00 0.00 33.01 34.01 2yr3 s GLN 50 CO 0.00 -0.05 1.39 -1.25 -2.12 0.00 0.00 175.29 173.26 2yr3 s PRO 51 N 0.31 4.31 -0.12 2.91 0.04 -1.26 0.24 135.00 141.44 2yr3 s PRO 51 Ca -0.02 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.79 2yr3 s PRO 51 Cb -0.03 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 2yr3 s PRO 51 CO -0.01 -0.48 0.85 0.42 0.04 0.00 0.00 177.00 177.82 2yr3 s ILE 52 N 1.58 4.90 -0.13 0.56 1.01 -1.07 -4.92 121.20 123.14 2yr3 s ILE 52 Ca 0.64 1.71 -0.05 0.00 0.00 0.00 0.00 60.65 62.96 2yr3 s ILE 52 Cb -0.35 -4.17 -0.25 0.00 0.01 0.00 0.00 42.46 37.70 2yr3 s ILE 52 CO 0.29 0.09 0.32 1.67 0.00 0.00 0.00 174.94 177.31 2yr3 n GLN 53 N 4.73 0.74 -0.17 2.79 -0.06 -1.26 -4.02 117.38 120.13 2yr3 n GLN 53 Ca 0.04 0.25 0.02 0.00 -2.00 0.00 0.00 57.00 55.31 2yr3 n GLN 53 Cb 0.50 -1.69 0.09 0.00 -4.06 0.00 0.00 30.24 25.07 2yr3 n GLN 53 CO 0.00 0.00 0.00 2.48 -0.20 0.00 0.00 177.06 179.34 2yr3 n TYR 54 N -3.44 0.41 -2.14 3.69 0.18 -1.26 -4.82 117.16 109.79 2yr3 n TYR 54 Ca -0.33 -0.15 -0.38 0.00 1.88 0.00 0.00 57.90 58.92 2yr3 n TYR 54 Cb 1.04 -0.14 -0.03 0.00 -0.38 0.00 0.00 39.34 39.84 2yr3 n TYR 54 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2yr3 s ALA 55 N -1.52 2.26 -2.00 -3.48 0.00 -1.26 -4.81 121.76 110.96 2yr3 s ALA 55 Ca 0.12 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.28 2yr3 s ALA 55 Cb 0.09 -4.31 0.18 0.00 0.00 0.00 0.00 23.12 19.08 2yr3 s ALA 55 CO 0.05 -3.82 1.08 0.54 0.00 0.00 0.00 175.76 173.61 2yr3 n ARG 56 N 9.21 0.96 -0.98 0.00 5.12 -1.26 -4.93 116.66 124.78 2yr3 n ARG 56 Ca 0.18 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.78 2yr3 n ARG 56 Cb 0.51 -1.05 -0.01 0.00 -1.16 0.00 0.00 32.46 30.75 2yr3 n ARG 56 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2yr3 n SER 57 N -0.55 -1.56 -3.64 0.55 3.41 -1.26 -4.73 113.62 105.84 2yr3 n SER 57 Ca 0.02 0.69 -0.18 0.00 -0.26 0.00 0.00 58.87 59.15 2yr3 n SER 57 Cb 0.01 -0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 63.14 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 -1.00 -0.25 -0.04 6.66 -4.23 0.16 -4.97 115.64 111.97 2yr3 s THR 58 Ca 0.45 0.26 -0.16 0.00 -1.18 0.00 0.00 61.69 61.06 2yr3 s THR 58 Cb -0.56 -0.36 -0.05 0.00 1.34 0.00 0.00 72.50 72.87 2yr3 s THR 58 CO 0.43 0.07 0.42 0.00 -0.54 0.00 0.00 174.62 175.01 2yr3 s GLU 60 N -0.55 1.20 -1.00 0.00 2.02 -0.92 -4.76 118.70 114.69 2yr3 s GLU 60 Ca 0.24 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.53 2yr3 s GLU 60 Cb -0.16 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.53 2yr3 s GLU 60 CO 0.12 -1.03 0.00 0.00 0.02 0.00 0.00 175.26 174.37 2yr3 n ALA 61 N 4.16 -0.33 0.00 5.21 0.00 -1.26 -2.77 120.51 125.51 2yr3 n ALA 61 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2yr3 n ALA 61 Cb 0.39 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.03 2.33 3.56 0.00 0.00 -1.26 -5.01 105.19 103.78 2yr3 n GLY 62 Ca -0.14 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.21 3.39 0.35 1.61 1.01 -1.12 -3.42 120.40 120.01 2yr3 s VAL 63 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 2yr3 s VAL 63 Cb 0.00 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 2yr3 s VAL 63 CO 0.00 -0.82 1.15 0.00 0.00 0.00 0.00 175.10 175.43 2yr3 s ALA 64 N 10.74 3.28 -0.04 5.51 0.00 -1.19 -2.16 121.76 137.90 2yr3 s ALA 64 Ca 0.73 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 53.52 2yr3 s ALA 64 Cb -0.07 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.71 2yr3 s ALA 64 CO 0.01 -0.37 0.28 -1.21 0.00 0.00 0.00 175.76 174.46 2yr3 s GLU 65 N -1.96 0.53 -0.32 0.00 2.02 -1.19 -1.73 118.70 116.04 2yr3 s GLU 65 Ca 0.52 -0.02 0.01 0.00 0.02 0.00 0.00 54.97 55.50 2yr3 s GLU 65 Cb -0.31 0.24 0.10 0.00 0.10 0.00 0.00 34.13 34.25 2yr3 s GLU 65 CO 0.40 -0.12 0.07 -1.17 0.02 0.00 0.00 175.26 174.45 2yr3 s LEU 66 N -0.83 3.40 -0.23 1.80 2.96 -0.99 -0.67 118.68 124.13 2yr3 s LEU 66 Ca -0.09 -1.85 -0.29 0.00 -0.22 0.00 0.00 54.13 51.67 2yr3 s LEU 66 Cb -0.05 -1.22 0.00 0.00 0.50 0.00 0.00 46.19 45.42 2yr3 s LEU 66 CO 0.02 -0.39 1.15 -1.00 -1.32 0.00 0.00 176.35 174.81 2yr3 s HIS 67 N 1.28 3.08 -0.36 5.38 3.76 -1.26 -2.99 115.29 124.17 2yr3 s HIS 67 Ca 0.10 1.21 0.02 0.00 -0.15 0.00 0.00 55.06 56.24 2yr3 s HIS 67 Cb -0.18 -3.47 0.11 0.00 1.11 0.00 0.00 32.58 30.15 2yr3 s HIS 67 CO -0.17 -1.07 0.11 0.42 -0.85 0.00 0.00 174.74 173.19 2yr3 s ILE 68 N 3.48 1.79 0.44 0.60 -1.09 -1.06 -4.55 121.20 120.81 2yr3 s ILE 68 Ca 0.49 -2.20 -0.18 0.00 -2.23 0.00 0.00 60.65 56.54 2yr3 s ILE 68 Cb -0.17 -2.31 -0.09 0.00 -1.58 0.00 0.00 42.46 38.31 2yr3 s ILE 68 CO 0.12 -0.68 0.92 0.00 -1.23 0.00 0.00 174.94 174.07 2yr3 s GLN 69 N 0.92 4.06 -1.21 2.79 -2.07 -1.26 -2.89 119.66 120.00 2yr3 s GLN 69 Ca 0.12 0.94 -0.01 0.00 -1.82 0.00 0.00 55.36 54.59 2yr3 s GLN 69 Cb -0.20 -2.22 0.00 0.00 -1.09 0.00 0.00 33.01 29.51 2yr3 s GLN 69 CO -0.11 -0.09 1.01 -3.47 -1.32 0.00 0.00 175.29 171.31 2yr3 n ASP 70 N -1.00 -2.62 -4.48 12.60 2.03 -1.24 -4.78 116.55 117.05 2yr3 n ASP 70 Ca 0.06 -0.60 -0.43 0.00 0.52 0.00 0.00 54.79 54.34 2yr3 n ASP 70 Cb 0.54 -5.06 -0.09 0.00 -0.72 0.00 0.00 41.12 35.78 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 -4.21 0.62 -1.99 -1.67 0.00 0.40 -4.65 120.51 109.01 2yr3 n ALA 71 Ca -0.25 -0.39 -0.31 0.00 0.00 0.00 0.00 53.44 52.49 2yr3 n ALA 71 Cb 0.65 -2.60 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 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 3.70 0.53 0.00 1.43 -1.26 -2.12 118.68 130.30 2yr3 s LEU 72 Ca 1.18 1.38 0.31 0.00 -1.03 0.00 0.00 54.13 55.97 2yr3 s LEU 72 Cb -0.87 -4.30 1.31 0.00 0.03 0.00 0.00 46.19 42.37 2yr3 s LEU 72 CO 0.44 -0.52 1.97 1.55 0.23 0.00 0.00 176.35 180.02 2yr3 h PRO 73 N 1.02 0.00 0.00 1.29 0.13 -1.90 -2.74 132.00 129.80 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 0.62 0.06 -1.24 -0.85 -0.23 0.00 0.00 178.00 176.36 2yr3 n GLU 74 N -3.20 0.58 -0.19 0.86 0.28 -1.26 -4.14 120.64 113.57 2yr3 n GLU 74 Ca 0.00 0.03 -0.09 0.00 -0.16 0.00 0.00 57.16 56.94 2yr3 n GLU 74 Cb 0.32 -1.73 0.03 0.00 1.43 0.00 0.00 31.44 31.50 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 0.00 1.03 -1.73 -1.84 1.82 -1.88 -3.45 116.42 110.37 2yr3 h ASP 75 Ca 0.00 -0.31 -0.60 0.00 -0.39 0.00 0.00 57.03 55.73 2yr3 h ASP 75 Cb 0.97 -0.28 0.16 0.00 0.68 0.00 0.00 39.33 40.86 2yr3 h ASP 75 CO 0.00 1.10 -0.99 0.00 -1.61 0.00 0.00 179.24 177.74 2yr3 n HIS 76 N -4.16 -2.28 0.00 0.28 1.44 -1.23 -4.86 115.22 104.40 2yr3 n HIS 76 Ca 0.02 0.57 0.00 0.00 -2.01 0.00 0.00 57.72 56.30 2yr3 n HIS 76 Cb 0.37 -1.72 0.00 0.00 0.12 0.00 0.00 29.99 28.76 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 2.34 -0.55 2.69 -1.39 0.00 -1.23 -4.97 105.19 102.08 2yr3 n GLY 77 Ca 0.10 0.33 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 0.69 -0.51 2.61 2.01 -1.26 -3.64 115.64 115.54 2yr3 s THR 78 Ca 0.00 -1.32 -0.27 0.00 0.31 0.00 0.00 61.69 60.40 2yr3 s THR 78 Cb 0.00 -1.53 0.03 0.00 0.01 0.00 0.00 72.50 71.01 2yr3 s THR 78 CO 0.00 -0.70 1.07 -0.31 -0.69 0.00 0.00 174.62 173.99 2yr3 s TYR 79 N 1.65 2.79 -0.35 4.92 1.51 -1.23 -2.89 117.35 123.75 2yr3 s TYR 79 Ca 0.10 0.46 -0.06 0.00 -1.01 0.00 0.00 57.07 56.56 2yr3 s TYR 79 Cb -0.17 -4.29 0.05 0.00 -0.11 0.00 0.00 41.96 37.44 2yr3 s TYR 79 CO -0.26 -1.31 0.13 0.99 -1.11 0.00 0.00 175.55 173.98 2yr3 s THR 80 N 4.33 3.71 -0.24 -0.71 2.01 -0.65 -2.01 115.64 122.07 2yr3 s THR 80 Ca 0.42 -1.30 -0.25 0.00 0.31 0.00 0.00 61.69 60.87 2yr3 s THR 80 Cb -0.09 -3.17 -0.00 0.00 0.01 0.00 0.00 72.50 69.25 2yr3 s THR 80 CO 0.27 -0.27 0.83 0.00 -0.69 0.00 0.00 174.62 174.76 2yr3 s LEU 82 N 2.86 3.30 -0.25 0.00 2.96 -0.97 -1.76 118.68 124.81 2yr3 s LEU 82 Ca 0.35 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 2yr3 s LEU 82 Cb -0.15 -1.86 0.06 0.00 0.50 0.00 0.00 46.19 44.74 2yr3 s LEU 82 CO 0.07 -0.00 -0.06 0.00 -1.32 0.00 0.00 176.35 175.04 2yr3 s ALA 83 N 1.41 2.21 0.02 5.97 0.00 -0.17 -2.89 121.76 128.31 2yr3 s ALA 83 Ca 0.05 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.47 2yr3 s ALA 83 Cb -0.15 -1.52 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2yr3 s ALA 83 CO 0.02 -1.24 -0.13 -1.83 0.00 0.00 0.00 175.76 172.58 2yr3 s GLU 84 N 1.27 0.93 0.23 0.00 -1.05 -1.25 -1.51 118.70 117.32 2yr3 s GLU 84 Ca -0.05 -0.64 0.03 0.00 -0.15 0.00 0.00 54.97 54.16 2yr3 s GLU 84 Cb -0.19 -0.92 -0.01 0.00 -0.44 0.00 0.00 34.13 32.57 2yr3 s GLU 84 CO -0.06 0.24 0.12 0.27 0.95 0.00 0.00 175.26 176.77 2yr3 n ASN 85 N 2.21 0.52 0.30 0.83 0.23 -0.25 -1.99 115.26 117.11 2yr3 n ASN 85 Ca -0.17 -2.32 0.20 0.00 -0.53 0.00 0.00 54.58 51.76 2yr3 n ASN 85 Cb 0.55 0.77 0.99 0.00 -2.08 0.00 0.00 39.78 40.02 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 1.50 1.00 -1.45 -2.53 0.00 -1.90 -3.29 119.26 112.59 2yr3 h ALA 86 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2yr3 h ALA 86 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2yr3 h ALA 86 CO 0.27 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.80 2yr3 n LEU 87 N -2.97 1.05 0.00 0.00 7.99 -1.26 -5.07 117.00 116.73 2yr3 n LEU 87 Ca -0.02 0.19 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 2yr3 n LEU 87 Cb 0.14 -0.26 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 2yr3 n LEU 87 CO 0.21 -0.26 0.00 0.61 -1.51 0.00 0.00 177.39 176.44 2yr3 n GLY 88 N 2.17 6.73 3.62 -0.72 0.00 -1.24 -4.98 105.19 110.78 2yr3 n GLY 88 Ca 0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 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 0.76 0.72 0.07 1.61 -2.07 -1.26 -1.09 119.66 118.39 2yr3 s GLN 89 Ca 0.00 1.18 -0.05 0.00 -1.82 0.00 0.00 55.36 54.67 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 -0.14 0.08 0.14 -1.32 0.00 0.00 175.29 174.04 2yr3 s VAL 90 N 1.44 0.18 0.01 3.63 -7.23 -0.57 -4.98 120.40 112.88 2yr3 s VAL 90 Ca -0.08 -1.47 -0.14 0.00 -1.81 0.00 0.00 61.98 58.47 2yr3 s VAL 90 Cb -0.05 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.53 2yr3 s VAL 90 CO -0.17 -0.81 0.31 -0.94 -0.31 0.00 0.00 175.10 173.18 2yr3 s SER 91 N -2.81 -0.16 0.05 4.85 1.04 -1.26 -1.00 113.70 114.41 2yr3 s SER 91 Ca 0.05 -0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.42 2yr3 s SER 91 Cb 0.06 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 2yr3 s SER 91 CO -0.10 -0.53 -0.03 0.00 0.98 0.00 0.00 173.24 173.56 2yr3 s SER 93 N -2.93 2.27 0.16 0.00 0.01 -1.26 -1.54 113.70 110.41 2yr3 s SER 93 Ca 0.08 -0.89 -0.01 0.00 1.31 0.00 0.00 55.95 56.43 2yr3 s SER 93 Cb 0.08 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 2yr3 s SER 93 CO -0.09 -0.14 0.09 0.00 0.41 0.00 0.00 173.24 173.51 2yr3 s ALA 94 N -2.42 0.96 -0.24 1.44 0.00 -0.85 -4.84 121.76 115.80 2yr3 s ALA 94 Ca 0.14 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 50.56 2yr3 s ALA 94 Cb -0.03 1.08 0.06 0.00 0.00 0.00 0.00 23.12 24.23 2yr3 s ALA 94 CO 0.04 -0.53 -0.04 -0.46 0.00 0.00 0.00 175.76 174.77 2yr3 s TRP 95 N -4.09 2.36 -0.13 0.00 -0.11 -1.26 -3.55 118.94 112.16 2yr3 s TRP 95 Ca 0.30 -1.75 -0.00 0.00 1.22 0.00 0.00 56.10 55.87 2yr3 s TRP 95 Cb 0.07 -1.59 -0.02 0.00 -1.50 0.00 0.00 33.47 30.43 2yr3 s TRP 95 CO 0.06 -0.78 -0.13 0.08 -4.62 0.00 0.00 176.95 171.57 2yr3 s VAL 96 N 1.41 3.10 -0.02 5.86 1.01 -1.24 -4.12 120.40 126.40 2yr3 s VAL 96 Ca -0.05 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.35 2yr3 s VAL 96 Cb -0.19 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 2yr3 s VAL 96 CO -0.07 0.53 -0.22 -0.89 0.00 0.00 0.00 175.10 174.45 2yr3 s THR 97 N 0.27 1.72 -0.34 3.92 2.01 -1.23 -3.58 115.64 118.42 2yr3 s THR 97 Ca -0.09 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 60.94 2yr3 s THR 97 Cb -0.15 -1.44 0.05 0.00 0.01 0.00 0.00 72.50 70.97 2yr3 s THR 97 CO 0.05 0.49 0.09 -0.69 -0.69 0.00 0.00 174.62 173.87 2yr3 s VAL 98 N -0.42 3.53 -0.29 3.82 1.01 -1.26 -2.75 120.40 124.04 2yr3 s VAL 98 Ca 0.06 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.74 2yr3 s VAL 98 Cb -0.09 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2yr3 s VAL 98 CO -0.00 -0.22 0.07 1.41 0.00 0.00 0.00 175.10 176.36