#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yre n SER -5 N 0.00 1.89 -3.60 1.61 7.64 -1.26 -5.10 113.62 114.81 2yre n SER -5 Ca 0.00 0.44 -0.03 0.00 1.01 0.00 0.00 58.87 60.28 2yre n SER -5 Cb 0.00 -0.80 -0.02 0.00 -1.01 0.00 0.00 64.21 62.38 2yre n SER -5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yre s SER -4 N -6.04 -0.14 0.00 6.43 1.04 -1.26 -5.19 113.70 108.55 2yre s SER -4 Ca -0.25 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2yre s SER -4 Cb 0.04 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2yre s SER -4 CO 0.37 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2yre n GLY -3 N -0.22 1.29 3.56 7.32 0.00 -1.26 -5.19 105.19 110.69 2yre n GLY -3 Ca -0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 2yre n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yre s SER -2 N 0.00 -0.28 0.00 1.61 0.15 -1.26 -5.08 113.70 108.84 2yre s SER -2 Ca 0.00 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2yre s SER -2 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2yre s SER -2 CO 0.00 -0.54 0.00 -1.54 1.20 0.00 0.00 173.24 172.36 2yre n SER -1 N -0.24 1.09 0.00 5.45 3.41 -1.26 -5.17 113.62 116.91 2yre n SER -1 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2yre n SER -1 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2yre n SER -1 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yre n GLY 0 N 2.72 2.56 2.94 5.00 0.00 -1.26 -5.10 105.19 112.05 2yre n GLY 0 Ca 0.00 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 2yre n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2yre s MET 1 N -3.44 0.22 -0.11 1.61 0.00 -1.26 -5.15 119.30 111.17 2yre s MET 1 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 55.69 55.30 2yre s MET 1 Cb 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 34.83 34.85 2yre s MET 1 CO 0.00 -0.00 0.25 -1.21 0.00 0.00 0.00 175.02 174.06 2yre s GLU 2 N -0.76 0.21 0.22 3.16 2.02 -1.26 -5.16 118.70 117.12 2yre s GLU 2 Ca -0.07 0.57 0.01 0.00 0.02 0.00 0.00 54.97 55.49 2yre s GLU 2 Cb -0.05 -0.11 -0.05 0.00 0.10 0.00 0.00 34.13 34.02 2yre s GLU 2 CO -0.00 -0.18 0.08 -1.83 0.02 0.00 0.00 175.26 173.35 2yre s GLU 3 N 1.40 1.26 -0.23 1.61 -1.05 -1.26 -5.14 118.70 115.29 2yre s GLU 3 Ca -0.08 -1.66 -0.08 0.00 -0.15 0.00 0.00 54.97 53.00 2yre s GLU 3 Cb -0.10 -0.08 -0.04 0.00 -0.44 0.00 0.00 34.13 33.47 2yre s GLU 3 CO -0.09 -0.29 0.10 -2.00 0.95 0.00 0.00 175.26 173.93 2yre s GLU 4 N -4.05 3.85 0.90 -4.83 2.12 -1.26 -5.10 118.70 110.34 2yre s GLU 4 Ca 0.34 -0.39 -0.15 0.00 0.36 0.00 0.00 54.97 55.14 2yre s GLU 4 Cb 0.07 -3.36 0.22 0.00 0.26 0.00 0.00 34.13 31.32 2yre s GLU 4 CO 0.10 -0.00 0.89 1.47 -0.54 0.00 0.00 175.26 177.18 2yre n LEU 5 N 4.41 0.00 -4.69 2.70 -0.00 -1.26 -5.08 117.00 113.08 2yre n LEU 5 Ca -0.16 -0.95 -0.24 0.00 -0.00 0.00 0.00 56.01 54.66 2yre n LEU 5 Cb 0.52 -0.78 -0.07 0.00 -0.00 0.00 0.00 43.42 43.09 2yre n LEU 5 CO 0.33 -1.73 -0.25 0.00 -0.00 0.00 0.00 177.39 175.74 2yre s GLN 6 N -5.00 2.26 -0.44 1.47 -2.07 -1.26 -5.10 119.66 109.52 2yre s GLN 6 Ca 0.56 -1.61 -0.18 0.00 -1.82 0.00 0.00 55.36 52.31 2yre s GLN 6 Cb -0.04 -2.08 0.03 0.00 -1.09 0.00 0.00 33.01 29.83 2yre s GLN 6 CO 0.42 0.14 0.48 -1.01 -1.32 0.00 0.00 175.29 174.00 2yre s HIS 7 N -2.45 3.15 0.34 9.60 3.76 -1.26 -4.94 115.29 123.48 2yre s HIS 7 Ca 0.36 -0.43 0.10 0.00 -0.15 0.00 0.00 55.06 54.94 2yre s HIS 7 Cb -0.02 -3.06 1.01 0.00 1.11 0.00 0.00 32.58 31.63 2yre s HIS 7 CO 0.21 -0.78 1.58 0.77 -0.85 0.00 0.00 174.74 175.67 2yre h SER 8 N 8.79 -0.13 0.19 1.40 0.02 -1.76 0.36 113.55 122.42 2yre h SER 8 Ca -0.27 0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2yre h SER 8 Cb 1.11 0.39 0.00 0.00 0.14 0.00 0.00 62.40 64.04 2yre h SER 8 CO 0.84 -0.39 -0.09 -0.74 -1.14 0.00 0.00 176.83 175.31 2yre h HIS 9 N 0.01 -0.23 -0.67 3.45 -0.00 -1.77 -3.18 115.15 112.76 2yre h HIS 9 Ca 0.71 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 61.18 2yre h HIS 9 Cb 1.67 0.08 -0.12 0.00 -0.00 0.00 0.00 27.41 29.04 2yre h HIS 9 CO -0.29 -0.14 -0.41 0.00 -0.00 0.00 0.00 177.93 177.09 2yre h VAL 11 N -0.16 0.17 -0.61 0.00 -1.51 -0.43 0.80 116.25 114.51 2yre h VAL 11 Ca 0.22 0.00 -0.44 0.00 -1.23 0.00 0.00 66.70 65.25 2yre h VAL 11 Cb 0.56 0.24 -0.36 0.00 -2.13 0.00 0.00 31.29 29.60 2yre h VAL 11 CO -0.74 0.00 -0.78 0.59 -1.23 0.00 0.00 177.57 175.40 2yre n ASN 12 N -3.68 4.23 -3.79 4.19 3.02 0.27 -4.97 115.26 114.53 2yre n ASN 12 Ca 0.24 -3.69 -0.28 0.00 -0.03 0.00 0.00 54.58 50.82 2yre n ASN 12 Cb 1.36 -0.38 -0.16 0.00 -0.61 0.00 0.00 39.78 39.99 2yre n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yre n VAL 14 N 4.94 0.59 -1.46 0.00 0.24 -1.26 -4.91 118.33 116.47 2yre n VAL 14 Ca -0.10 -0.49 -0.38 0.00 -2.04 0.00 0.00 64.34 61.33 2yre n VAL 14 Cb 0.46 -0.34 0.04 0.00 -1.47 0.00 0.00 33.84 32.52 2yre n VAL 14 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2yre n SER 15 N -2.32 -1.10 -0.08 -1.34 3.41 -1.26 -4.95 113.62 105.98 2yre n SER 15 Ca -0.15 0.73 -0.23 0.00 -0.26 0.00 0.00 58.87 58.97 2yre n SER 15 Cb 0.74 -1.16 -0.12 0.00 -0.26 0.00 0.00 64.21 63.40 2yre n SER 15 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2yre n ARG 16 N -0.02 0.63 -0.67 4.33 0.63 -1.26 -4.27 116.66 116.03 2yre n ARG 16 Ca 0.12 0.39 -0.10 0.00 -0.92 0.00 0.00 57.85 57.34 2yre n ARG 16 Cb 0.47 -1.67 0.03 0.00 0.45 0.00 0.00 32.46 31.75 2yre n ARG 16 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2yre n ARG 17 N -4.02 1.47 -1.99 -0.14 3.00 -1.26 -4.84 116.66 108.89 2yre n ARG 17 Ca -0.38 -0.94 -0.40 0.00 -0.01 0.00 0.00 57.85 56.11 2yre n ARG 17 Cb 0.85 -1.37 -0.03 0.00 0.00 0.00 0.00 32.46 31.92 2yre n ARG 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2yre n MET 19 N 8.82 2.73 -2.74 0.00 2.81 -1.26 -4.92 117.12 122.56 2yre n MET 19 Ca 0.23 -3.32 -0.42 0.00 -1.81 0.00 0.00 57.70 52.37 2yre n MET 19 Cb 0.50 -2.29 -0.03 0.00 -0.71 0.00 0.00 33.22 30.69 2yre n MET 19 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2yre s THR 20 N -4.82 4.86 -0.29 2.03 2.01 -1.26 -4.95 115.64 113.22 2yre s THR 20 Ca 0.64 1.98 -0.40 0.00 0.31 0.00 0.00 61.69 64.22 2yre s THR 20 Cb 0.51 -4.28 -0.16 0.00 0.01 0.00 0.00 72.50 68.57 2yre s THR 20 CO -0.01 0.12 1.75 -1.14 -0.69 0.00 0.00 174.62 174.65 2yre n ARG 21 N 4.26 1.12 -2.07 4.92 0.63 -1.26 -4.83 116.66 119.44 2yre n ARG 21 Ca 0.06 0.41 -0.41 0.00 -0.92 0.00 0.00 57.85 56.99 2yre n ARG 21 Cb 0.50 -2.09 -0.03 0.00 0.45 0.00 0.00 32.46 31.29 2yre n ARG 21 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2yre s PRO 22 N 3.58 3.08 -0.11 -0.14 0.04 -1.26 -4.73 135.00 135.45 2yre s PRO 22 Ca 0.99 1.02 -0.05 0.00 0.04 0.00 0.00 61.00 62.99 2yre s PRO 22 Cb -1.08 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 29.17 2yre s PRO 22 CO 0.66 -2.18 0.10 -2.00 0.04 0.00 0.00 177.00 173.63 2yre s GLU 23 N 6.12 3.30 -1.04 4.56 2.56 0.61 -4.87 118.70 129.94 2yre s GLU 23 Ca 0.72 -0.22 -0.24 0.00 0.00 0.00 0.00 54.97 55.24 2yre s GLU 23 Cb -0.17 -3.07 -0.07 0.00 2.00 0.00 0.00 34.13 32.82 2yre s GLU 23 CO 0.28 0.76 1.94 -1.25 -0.56 0.00 0.00 175.26 176.43 2yre s PRO 24 N -0.99 2.52 0.00 4.30 0.04 -1.26 -1.84 135.00 137.77 2yre s PRO 24 Ca 0.14 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.46 2yre s PRO 24 Cb -0.12 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.27 2yre s PRO 24 CO 0.03 -3.69 0.00 0.41 0.04 0.00 0.00 177.00 173.80 2yre n GLY 25 N 6.33 1.15 0.23 0.56 0.00 -1.26 -4.97 105.19 107.24 2yre n GLY 25 Ca 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 2yre n GLY 25 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yre n ILE 26 N 0.00 1.42 -3.95 -0.61 -0.00 -1.04 -4.38 119.36 110.80 2yre n ILE 26 Ca 0.00 0.01 -0.13 0.00 -0.00 0.00 0.00 62.75 62.63 2yre n ILE 26 Cb 0.00 -2.11 -0.14 0.00 -0.00 0.00 0.00 39.64 37.39 2yre n ILE 26 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2yre s SER 27 N -6.33 0.17 0.35 4.38 0.15 -0.77 -2.09 113.70 109.57 2yre s SER 27 Ca -0.28 -0.06 0.08 0.00 0.70 0.00 0.00 55.95 56.39 2yre s SER 27 Cb 0.07 -0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.33 2yre s SER 27 CO 0.39 -0.00 0.24 0.00 1.20 0.00 0.00 173.24 175.07 2yre s ASP 29 N -3.95 6.69 0.64 0.00 1.01 -1.26 -4.73 116.67 115.07 2yre s ASP 29 Ca 0.41 2.72 -0.13 0.00 0.71 0.00 0.00 52.55 56.26 2yre s ASP 29 Cb -0.04 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 2yre s ASP 29 CO 0.25 -0.62 1.05 -0.76 0.21 0.00 0.00 175.17 175.31 2yre s LEU 30 N -1.47 3.30 -0.12 1.23 1.43 -1.26 -3.31 118.68 118.49 2yre s LEU 30 Ca 0.52 1.68 -0.14 0.00 -1.03 0.00 0.00 54.13 55.15 2yre s LEU 30 Cb -0.41 -4.51 0.04 0.00 0.03 0.00 0.00 46.19 41.34 2yre s LEU 30 CO 0.52 -1.26 0.39 0.27 0.23 0.00 0.00 176.35 176.49 2yre s ILE 31 N -2.81 0.01 0.17 -0.59 -5.25 0.31 -4.81 121.20 108.24 2yre s ILE 31 Ca 0.60 -0.10 -0.30 0.00 -0.99 0.00 0.00 60.65 59.86 2yre s ILE 31 Cb -0.14 -0.58 -0.07 0.00 2.95 0.00 0.00 42.46 44.62 2yre s ILE 31 CO 0.47 -0.05 1.01 -0.83 -1.79 0.00 0.00 174.94 173.75 2yre s GLY 32 N -0.15 2.97 0.09 6.27 0.00 -1.26 -2.54 107.32 112.70 2yre s GLY 32 Ca -0.03 0.69 -0.34 0.00 0.00 0.00 0.00 44.72 45.04 2yre s GLY 32 CO 0.02 1.48 0.80 0.00 0.00 0.00 0.00 173.10 175.40 2yre n PRO 34 N 1.24 0.49 -0.13 0.00 -0.04 -1.26 -1.99 135.00 133.30 2yre n PRO 34 Ca 0.19 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.73 2yre n PRO 34 Cb 0.15 -1.34 0.13 0.00 -0.04 0.00 0.00 33.50 32.39 2yre n PRO 34 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2yre n LEU 35 N -0.84 2.10 -3.88 1.53 4.77 -1.26 -4.98 117.00 114.45 2yre n LEU 35 Ca 0.08 -2.88 -0.29 0.00 -0.03 0.00 0.00 56.01 52.88 2yre n LEU 35 Cb 0.04 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 2yre n LEU 35 CO 0.06 0.68 -0.10 1.33 -1.33 0.00 0.00 177.39 178.03 2yre n VAL 36 N -1.27 -0.16 0.25 4.08 0.24 -0.84 -4.75 118.33 115.87 2yre n VAL 36 Ca 0.14 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.54 2yre n VAL 36 Cb 0.65 -0.57 0.64 0.00 -1.47 0.00 0.00 33.84 33.09 2yre n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yre n GLY 38 N -0.79 0.78 3.32 0.00 0.00 -1.26 -5.07 105.19 102.18 2yre n GLY 38 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2yre n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yre s ALA 39 N -1.47 -1.20 -0.31 4.61 0.00 -1.26 -5.09 121.76 117.03 2yre s ALA 39 Ca 0.00 1.64 -0.14 0.00 0.00 0.00 0.00 51.96 53.47 2yre s ALA 39 Cb 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 2yre s ALA 39 CO 0.00 -0.46 0.30 0.08 0.00 0.00 0.00 175.76 175.69 2yre s VAL 40 N 1.87 5.22 0.27 0.00 1.01 -1.26 -2.66 120.40 124.85 2yre s VAL 40 Ca -0.07 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2yre s VAL 40 Cb -0.09 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2yre s VAL 40 CO -0.14 0.07 0.10 0.72 0.00 0.00 0.00 175.10 175.85 2yre s PHE 41 N 1.92 1.59 0.13 5.22 -0.12 -1.05 -4.68 117.98 120.99 2yre s PHE 41 Ca 0.11 -1.19 -0.30 0.00 -0.05 0.00 0.00 56.93 55.49 2yre s PHE 41 Cb -0.16 -0.93 -0.07 0.00 -0.63 0.00 0.00 43.02 41.23 2yre s PHE 41 CO 0.11 -0.33 1.14 -1.01 -0.05 0.00 0.00 175.22 175.08 2yre s HIS 42 N -3.68 3.52 0.35 3.49 3.76 -1.26 -0.53 115.29 120.93 2yre s HIS 42 Ca 0.37 1.48 0.14 0.00 -0.15 0.00 0.00 55.06 56.90 2yre s HIS 42 Cb 0.07 -3.34 1.13 0.00 1.11 0.00 0.00 32.58 31.55 2yre s HIS 42 CO 0.14 -0.89 1.58 1.03 -0.85 0.00 0.00 174.74 175.75 2yre h SER 43 N 5.76 0.01 -0.82 1.40 0.87 -1.85 1.52 113.55 120.45 2yre h SER 43 Ca -0.43 0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 2yre h SER 43 Cb 1.21 0.35 -0.04 0.00 -0.44 0.00 0.00 62.40 63.49 2yre h SER 43 CO 0.76 -0.41 0.36 0.00 -0.53 0.00 0.00 176.83 177.01 2yre h LYS 45 N 1.18 0.51 -0.80 0.00 1.79 0.17 -3.26 116.57 116.15 2yre h LYS 45 Ca 0.28 -0.31 0.14 0.00 -2.18 0.00 0.00 60.65 58.58 2yre h LYS 45 Cb 0.16 0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 30.71 2yre h LYS 45 CO -0.03 0.91 -0.27 0.00 -1.08 0.00 0.00 179.45 178.99 2yre n ALA 46 N -2.51 0.02 -0.27 3.86 0.00 0.11 0.72 120.51 122.45 2yre n ALA 46 Ca -0.03 0.84 -0.01 0.00 0.00 0.00 0.00 53.44 54.24 2yre n ALA 46 Cb 0.58 -0.43 0.06 0.00 0.00 0.00 0.00 19.45 19.66 2yre n ALA 46 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2yre h ASP 47 N 0.00 -0.97 0.03 0.00 5.19 -1.67 0.18 116.42 119.17 2yre h ASP 47 Ca 0.32 0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.98 2yre h ASP 47 Cb 0.53 0.55 0.00 0.00 0.18 0.00 0.00 39.33 40.59 2yre h ASP 47 CO -0.81 -0.28 -0.01 -0.33 -3.12 0.00 0.00 179.24 174.69 2yre h GLU 48 N -0.05 -0.03 -0.69 3.56 4.39 0.09 -3.33 114.58 118.51 2yre h GLU 48 Ca 0.33 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.13 2yre h GLU 48 Cb 0.57 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.11 2yre h GLU 48 CO -0.79 0.60 -0.42 1.25 -1.16 0.00 0.00 179.01 178.50 2yre h HIS 49 N -0.72 -1.21 -0.91 4.33 2.76 0.21 0.15 115.15 119.77 2yre h HIS 49 Ca -0.00 0.09 0.27 0.00 -2.20 0.00 0.00 60.37 58.52 2yre h HIS 49 Cb 0.65 0.63 -0.17 0.00 1.55 0.00 0.00 27.41 30.07 2yre h HIS 49 CO 0.15 -0.41 0.07 0.54 -1.30 0.00 0.00 177.93 176.99 2yre n ARG 50 N -5.41 -0.07 -0.28 5.26 1.74 0.55 0.17 116.66 118.61 2yre n ARG 50 Ca 0.04 1.36 0.06 0.00 -0.77 0.00 0.00 57.85 58.53 2yre n ARG 50 Cb 0.35 -2.18 0.20 0.00 -1.02 0.00 0.00 32.46 29.81 2yre n ARG 50 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2yre h LEU 51 N 0.00 0.46 0.00 0.55 3.38 -0.82 -2.92 115.31 115.96 2yre h LEU 51 Ca 0.58 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.62 2yre h LEU 51 Cb 1.25 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2yre h LEU 51 CO -0.84 0.20 -0.12 -0.07 0.09 0.00 0.00 178.44 177.71 2yre h LEU 52 N 0.58 0.00 -5.74 1.67 3.38 0.17 -3.47 115.31 111.90 2yre h LEU 52 Ca 0.43 -0.72 -0.49 0.00 0.09 0.00 0.00 57.88 57.19 2yre h LEU 52 Cb 0.60 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.39 2yre h LEU 52 CO -0.36 0.93 -0.02 0.00 0.09 0.00 0.00 178.44 179.08 2yre h PRO 54 N 1.70 0.17 -0.71 0.00 0.13 -1.91 -3.05 132.00 128.34 2yre h PRO 54 Ca -0.30 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 2yre h PRO 54 Cb 0.91 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.01 2yre h PRO 54 CO 0.41 0.61 0.42 0.74 -0.23 0.00 0.00 178.00 179.94 2yre h PHE 55 N 0.14 0.93 -0.91 1.56 -1.00 -1.92 0.32 116.94 116.07 2yre h PHE 55 Ca 0.01 -0.00 -0.70 0.00 2.81 0.00 0.00 57.97 60.09 2yre h PHE 55 Cb 0.88 -0.31 0.05 0.00 3.61 0.00 0.00 35.95 40.19 2yre h PHE 55 CO 0.01 0.63 -0.04 -1.91 -1.61 0.00 0.00 178.31 175.39 2yre n GLU 56 N -4.39 0.00 -1.68 1.51 2.13 -1.16 -4.18 120.64 112.87 2yre n GLU 56 Ca 0.07 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.47 2yre n GLU 56 Cb 0.07 -1.28 -0.03 0.00 0.27 0.00 0.00 31.44 30.47 2yre n GLU 56 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2yre n ARG 57 N 1.28 2.80 -4.14 5.31 0.63 -1.26 -3.79 116.66 117.49 2yre n ARG 57 Ca 0.18 1.02 -0.15 0.00 -0.92 0.00 0.00 57.85 57.98 2yre n ARG 57 Cb 0.10 -2.93 -0.12 0.00 0.45 0.00 0.00 32.46 29.96 2yre n ARG 57 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2yre s VAL 58 N 3.09 0.65 0.43 5.15 -7.23 0.48 -4.94 120.40 118.02 2yre s VAL 58 Ca 0.83 -0.88 -0.24 0.00 -1.81 0.00 0.00 61.98 59.88 2yre s VAL 58 Cb -0.48 -0.65 -0.08 0.00 0.56 0.00 0.00 36.38 35.74 2yre s VAL 58 CO 0.38 -0.19 1.18 -2.16 -0.31 0.00 0.00 175.10 174.00 2yre s PRO 59 N -1.18 3.90 0.10 4.82 0.04 -1.26 -1.30 135.00 140.11 2yre s PRO 59 Ca -0.05 1.83 -0.36 0.00 0.04 0.00 0.00 61.00 62.46 2yre s PRO 59 Cb -0.08 -2.55 -0.17 0.00 0.04 0.00 0.00 34.50 31.74 2yre s PRO 59 CO 0.01 -0.45 1.24 0.00 0.04 0.00 0.00 177.00 177.84 2yre n LEU 61 N 2.23 0.07 -2.37 0.00 4.77 -1.26 0.21 117.00 120.66 2yre n LEU 61 Ca 0.18 1.32 -0.28 0.00 -0.03 0.00 0.00 56.01 57.20 2yre n LEU 61 Cb 0.19 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.74 2yre n LEU 61 CO 0.62 -1.40 1.45 0.59 -1.33 0.00 0.00 177.39 177.31 2yre n ASN 62 N -4.96 6.96 0.15 -1.43 3.02 -1.26 -4.54 115.26 113.19 2yre n ASN 62 Ca 0.24 -3.42 0.00 0.00 -0.03 0.00 0.00 54.58 51.37 2yre n ASN 62 Cb 0.79 -1.10 0.29 0.00 -0.61 0.00 0.00 39.78 39.15 2yre n ASN 62 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2yre h SER 63 N 2.34 0.09 -0.71 6.41 0.87 0.22 -3.19 113.55 119.59 2yre h SER 63 Ca 0.45 -0.04 0.12 0.00 -1.23 0.00 0.00 61.79 61.09 2yre h SER 63 Cb 0.66 -0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 62.47 2yre h SER 63 CO 1.11 0.49 -0.34 0.44 -0.53 0.00 0.00 176.83 178.01 2yre h ASP 64 N 0.08 -1.19 -0.93 6.23 5.19 -1.82 0.33 116.42 124.31 2yre h ASP 64 Ca 0.01 0.25 0.12 0.00 -0.62 0.00 0.00 57.03 56.79 2yre h ASP 64 Cb 0.76 0.61 -0.08 0.00 0.18 0.00 0.00 39.33 40.80 2yre h ASP 64 CO 0.06 -0.30 0.55 -0.26 -3.12 0.00 0.00 179.24 176.17 2yre h PHE 65 N -0.11 1.00 0.00 4.55 0.04 -1.95 -3.45 116.94 117.02 2yre h PHE 65 Ca 0.27 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.08 2yre h PHE 65 Cb 0.56 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2yre h PHE 65 CO -0.70 0.36 0.00 0.41 -0.60 0.00 0.00 178.31 177.79 2yre n GLY 66 N -1.33 0.44 3.53 -1.45 0.00 0.12 -5.11 105.19 101.38 2yre n GLY 66 Ca 0.17 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2yre n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yre n PRO 68 N 6.28 0.49 -3.20 0.00 -0.04 -1.26 -4.63 135.00 132.63 2yre n PRO 68 Ca -0.01 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.05 2yre n PRO 68 Cb 0.48 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.55 2yre n PRO 68 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2yre s PHE 69 N -2.00 3.28 -0.05 0.54 0.08 -1.26 -5.06 117.98 113.51 2yre s PHE 69 Ca 0.15 0.70 0.03 0.00 0.12 0.00 0.00 56.93 57.93 2yre s PHE 69 Cb 0.07 -2.75 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 2yre s PHE 69 CO 0.11 -0.27 -0.15 0.95 -0.10 0.00 0.00 175.22 175.76 2yre s THR 70 N 2.29 1.30 0.39 0.64 -4.23 -1.26 -2.51 115.64 112.25 2yre s THR 70 Ca 0.23 -0.61 -0.12 0.00 -1.18 0.00 0.00 61.69 60.00 2yre s THR 70 Cb -0.16 -1.15 0.05 0.00 1.34 0.00 0.00 72.50 72.58 2yre s THR 70 CO 0.09 0.39 0.72 0.00 -0.54 0.00 0.00 174.62 175.28 2yre s MET 71 N 0.31 2.20 0.82 3.99 0.23 -0.42 -4.89 119.30 121.54 2yre s MET 71 Ca -0.09 -1.55 -0.13 0.00 -1.03 0.00 0.00 55.69 52.89 2yre s MET 71 Cb -0.13 0.59 0.09 0.00 -1.53 0.00 0.00 34.83 33.85 2yre s MET 71 CO 0.03 -1.01 1.19 0.00 -2.03 0.00 0.00 175.02 173.20 2yre s ALA 72 N -2.36 1.80 0.30 3.16 0.00 -1.26 -0.39 121.76 123.01 2yre s ALA 72 Ca 0.19 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2yre s ALA 72 Cb -0.04 -3.47 0.46 0.00 0.00 0.00 0.00 23.12 20.06 2yre s ALA 72 CO 0.14 -2.34 1.85 0.00 0.00 0.00 0.00 175.76 175.41 2yre h ARG 73 N -1.07 0.76 -0.09 0.00 2.47 -0.45 -0.29 114.38 115.70 2yre h ARG 73 Ca -0.45 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.11 2yre h ARG 73 Cb 1.29 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 2yre h ARG 73 CO 0.46 0.69 0.00 0.27 0.56 0.00 0.00 179.97 181.95 2yre n ASN 74 N -4.28 0.61 -0.03 7.04 0.23 -1.23 -3.53 115.26 114.07 2yre n ASN 74 Ca 0.03 -1.78 -0.03 0.00 -0.53 0.00 0.00 54.58 52.28 2yre n ASN 74 Cb 0.22 -0.06 -0.03 0.00 -2.08 0.00 0.00 39.78 37.83 2yre n ASN 74 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2yre n LYS 75 N -0.27 2.18 0.21 -3.83 4.76 -0.48 -4.59 118.16 116.15 2yre n LYS 75 Ca 0.09 0.01 0.15 0.00 -2.87 0.00 0.00 58.31 55.69 2yre n LYS 75 Cb 0.13 -1.12 0.58 0.00 -1.84 0.00 0.00 35.03 32.78 2yre n LYS 75 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 2yre h VAL 76 N 0.00 0.09 -0.60 -0.18 -1.51 -1.15 0.36 116.25 113.26 2yre h VAL 76 Ca -0.13 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.30 2yre h VAL 76 Cb 1.26 0.44 -0.03 0.00 -2.13 0.00 0.00 31.29 30.83 2yre h VAL 76 CO -0.00 0.00 0.23 0.00 -1.23 0.00 0.00 177.57 176.57 2yre h ALA 77 N 0.99 1.27 0.04 5.19 0.00 -1.81 -0.17 119.26 124.77 2yre h ALA 77 Ca 0.11 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2yre h ALA 77 Cb 1.32 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2yre h ALA 77 CO -0.00 0.53 -0.45 1.49 0.00 0.00 0.00 179.25 180.82 2yre h GLU 78 N 0.87 0.23 -0.68 0.00 4.81 -0.59 -3.30 114.58 115.92 2yre h GLU 78 Ca 0.20 -0.30 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2yre h GLU 78 Cb 0.19 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 2yre h GLU 78 CO -0.02 1.06 0.45 1.25 -0.73 0.00 0.00 179.01 181.03 2yre h HIS 79 N -0.45 0.83 -0.86 0.92 2.76 -1.43 -1.81 115.15 115.11 2yre h HIS 79 Ca -0.07 0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.25 2yre h HIS 79 Cb 1.25 -0.28 -0.06 0.00 1.55 0.00 0.00 27.41 29.87 2yre h HIS 79 CO 0.19 0.51 0.55 -0.07 -1.30 0.00 0.00 177.93 177.81 2yre h LEU 80 N 0.88 0.64 -0.36 0.26 3.38 -1.10 0.66 115.31 119.67 2yre h LEU 80 Ca 0.26 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.28 2yre h LEU 80 Cb -0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2yre h LEU 80 CO -0.06 0.34 0.19 -0.33 0.09 0.00 0.00 178.44 178.67 2yre h GLU 81 N 0.69 0.38 -0.54 1.13 4.39 -1.42 -2.51 114.58 116.69 2yre h GLU 81 Ca 0.42 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.93 2yre h GLU 81 Cb 0.65 -0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.12 2yre h GLU 81 CO -0.18 0.25 0.14 0.00 -1.16 0.00 0.00 179.01 178.06 2yre n MET 82 N -4.92 3.09 -3.01 2.33 0.00 -0.56 -4.88 117.12 109.16 2yre n MET 82 Ca 0.01 -3.05 -0.40 0.00 0.00 0.00 0.00 57.70 54.26 2yre n MET 82 Cb 0.08 -2.04 -0.04 0.00 0.00 0.00 0.00 33.22 31.21 2yre n MET 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2yre h PRO 84 N 6.77 0.63 -0.28 0.00 0.13 -1.88 -3.06 132.00 134.30 2yre h PRO 84 Ca -0.41 -0.33 -0.04 0.00 -0.87 0.00 0.00 66.00 64.36 2yre h PRO 84 Cb 1.20 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2yre h PRO 84 CO 0.75 0.93 0.02 0.00 -0.23 0.00 0.00 178.00 179.47 2yre h ALA 85 N 1.03 1.51 0.00 -0.56 0.00 -1.93 -1.97 119.26 117.34 2yre h ALA 85 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2yre h ALA 85 Cb 0.94 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2yre h ALA 85 CO 0.08 0.36 0.28 0.77 0.00 0.00 0.00 179.25 180.74 2yre h SER 86 N 0.41 0.00 -5.92 0.00 0.02 -1.84 -3.44 113.55 102.78 2yre h SER 86 Ca 0.09 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.61 2yre h SER 86 Cb 0.24 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.51 2yre h SER 86 CO 0.00 0.00 -0.63 1.33 -1.14 0.00 0.00 176.83 176.40 2yre n VAL 87 N -2.44 0.00 -3.72 2.27 0.24 -0.74 -4.85 118.33 109.09 2yre n VAL 87 Ca -0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 2yre n VAL 87 Cb 0.31 -0.34 -0.13 0.00 -1.47 0.00 0.00 33.84 32.20 2yre n VAL 87 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2yre s SER 88 N -2.56 -0.15 0.00 -1.34 0.01 -1.26 -5.11 113.70 103.29 2yre s SER 88 Ca 0.58 0.50 0.00 0.00 1.31 0.00 0.00 55.95 58.34 2yre s SER 88 Cb -0.34 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2yre s SER 88 CO 0.71 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.79 2yre n GLY 89 N 4.38 -1.95 3.56 3.44 0.00 -1.26 -4.81 105.19 108.55 2yre n GLY 89 Ca -0.23 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 2yre n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yre s PRO 90 N -5.76 2.59 -0.46 1.61 0.04 -1.26 -4.91 135.00 126.84 2yre s PRO 90 Ca 0.00 0.11 0.04 0.00 0.04 0.00 0.00 61.00 61.19 2yre s PRO 90 Cb 0.00 -4.76 0.12 0.00 0.04 0.00 0.00 34.50 29.90 2yre s PRO 90 CO 0.00 -3.09 0.20 -1.12 0.04 0.00 0.00 177.00 173.03 2yre s SER 91 N 8.07 4.41 0.92 6.66 0.01 -1.26 -5.11 113.70 127.40 2yre s SER 91 Ca 0.69 -2.74 -0.11 0.00 1.31 0.00 0.00 55.95 55.09 2yre s SER 91 Cb -0.09 -1.60 0.15 0.00 0.21 0.00 0.00 66.02 64.68 2yre s SER 91 CO 0.09 -0.28 1.09 -0.94 0.41 0.00 0.00 173.24 173.61 2yre s SER 92 N 0.09 3.17 0.00 2.44 1.04 -1.26 -4.97 113.70 114.21 2yre s SER 92 Ca 0.15 1.57 0.00 0.00 0.48 0.00 0.00 55.95 58.15 2yre s SER 92 Cb -0.24 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2yre s SER 92 CO -0.03 -2.84 0.00 0.61 0.98 0.00 0.00 173.24 171.96