#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yry n SER 2 N 0.00 -1.08 -4.94 1.61 2.88 -1.26 -4.89 113.62 105.94 2yry n SER 2 Ca 0.00 -1.12 -0.24 0.00 -1.33 0.00 0.00 58.87 56.19 2yry n SER 2 Cb 0.00 -1.42 0.02 0.00 -0.75 0.00 0.00 64.21 62.06 2yry n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yry s SER 3 N -3.27 5.65 0.00 -3.46 0.01 -1.26 -5.11 113.70 106.26 2yry s SER 3 Ca 0.58 0.37 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2yry s SER 3 Cb -0.34 -1.47 0.00 0.00 0.21 0.00 0.00 66.02 64.42 2yry s SER 3 CO 0.91 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2yry n GLY 4 N -2.29 6.23 3.27 3.44 0.00 -1.26 -5.18 105.19 109.40 2yry n GLY 4 Ca 0.03 -1.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 2yry n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yry s SER 5 N 0.78 1.29 -0.11 1.61 0.01 -1.26 -5.18 113.70 110.85 2yry s SER 5 Ca 0.00 -1.65 -0.17 0.00 1.31 0.00 0.00 55.95 55.44 2yry s SER 5 Cb 0.00 0.50 0.04 0.00 0.21 0.00 0.00 66.02 66.77 2yry s SER 5 CO 0.00 -0.99 0.43 -0.44 0.41 0.00 0.00 173.24 172.65 2yry s SER 6 N -3.32 -0.40 0.00 2.44 0.01 -1.26 -5.15 113.70 106.02 2yry s SER 6 Ca 0.40 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2yry s SER 6 Cb 0.04 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2yry s SER 6 CO 0.23 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2yry n GLY 7 N 2.16 0.78 0.00 3.44 0.00 -1.26 -5.05 105.19 105.26 2yry n GLY 7 Ca -0.16 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2yry n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yry n GLY 8 N 0.00 0.00 3.87 -0.02 0.00 -1.26 -5.17 105.19 102.61 2yry n GLY 8 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2yry n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yry s LYS 9 N 0.00 2.77 -0.04 1.61 -2.85 -1.26 -5.14 119.74 114.83 2yry s LYS 9 Ca 0.00 -1.27 -0.21 0.00 -1.00 0.00 0.00 55.97 53.49 2yry s LYS 9 Cb 0.00 -2.52 0.04 0.00 -2.06 0.00 0.00 37.83 33.29 2yry s LYS 9 CO 0.00 0.07 0.46 -0.98 0.10 0.00 0.00 175.35 175.00 2yry s ARG 10 N -4.03 0.80 -0.18 1.78 3.03 -1.26 -5.15 118.95 113.95 2yry s ARG 10 Ca 0.42 0.05 -0.04 0.00 2.03 0.00 0.00 55.73 58.20 2yry s ARG 10 Cb -0.06 0.37 0.06 0.00 -1.03 0.00 0.00 34.95 34.29 2yry s ARG 10 CO 0.27 -0.23 0.05 0.45 -1.13 0.00 0.00 175.30 174.72 2yry s SER 11 N -1.13 2.59 -0.17 -2.89 0.15 -1.26 -5.01 113.70 105.99 2yry s SER 11 Ca -0.11 -0.69 -0.11 0.00 0.70 0.00 0.00 55.95 55.74 2yry s SER 11 Cb -0.03 -0.45 -0.07 0.00 -1.71 0.00 0.00 66.02 63.76 2yry s SER 11 CO 0.06 -0.31 -0.25 1.57 1.20 0.00 0.00 173.24 175.51 2yry n HIS 12 N 5.14 0.00 -3.62 3.44 -0.00 -1.26 -5.10 115.22 113.83 2yry n HIS 12 Ca -0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.58 2yry n HIS 12 Cb 0.48 -0.59 -0.05 0.00 -0.00 0.00 0.00 29.99 29.82 2yry n HIS 12 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2yry s SER 13 N -6.51 -0.23 -0.02 0.26 1.04 -1.26 -5.17 113.70 101.82 2yry s SER 13 Ca -0.25 0.30 0.07 0.00 0.48 0.00 0.00 55.95 56.56 2yry s SER 13 Cb 0.08 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 2yry s SER 13 CO 0.33 -0.17 -0.24 -0.04 0.98 0.00 0.00 173.24 174.10 2yry s MET 14 N -0.75 2.14 -0.02 4.02 -1.94 -1.26 -5.13 119.30 116.37 2yry s MET 14 Ca 0.04 -0.91 -0.14 0.00 -1.71 0.00 0.00 55.69 52.96 2yry s MET 14 Cb -0.02 -2.09 0.02 0.00 2.01 0.00 0.00 34.83 34.75 2yry s MET 14 CO -0.05 0.57 0.30 0.21 -0.01 0.00 0.00 175.02 176.04 2yry s LYS 15 N -0.71 0.64 0.28 2.03 2.36 -1.26 -4.99 119.74 118.09 2yry s LYS 15 Ca 0.11 -0.17 -0.29 0.00 -2.55 0.00 0.00 55.97 53.06 2yry s LYS 15 Cb -0.10 0.28 -0.10 0.00 -1.05 0.00 0.00 37.83 36.87 2yry s LYS 15 CO -0.00 -0.17 1.09 0.50 1.55 0.00 0.00 175.35 178.31 2yry s ARG 16 N -1.24 4.65 -0.17 4.03 3.52 -1.26 -5.01 118.95 123.47 2yry s ARG 16 Ca -0.13 1.78 -0.23 0.00 -0.13 0.00 0.00 55.73 57.02 2yry s ARG 16 Cb -0.05 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.12 2yry s ARG 16 CO 0.04 0.23 0.73 1.21 -0.81 0.00 0.00 175.30 176.70 2yry s ASN 17 N -0.89 6.84 0.19 -2.12 3.84 -1.26 -4.93 114.94 116.61 2yry s ASN 17 Ca 0.44 1.03 0.21 0.00 0.21 0.00 0.00 52.86 54.75 2yry s ASN 17 Cb -0.32 -2.40 0.88 0.00 -0.55 0.00 0.00 41.25 38.86 2yry s ASN 17 CO 0.40 -0.32 1.64 -0.81 -2.79 0.00 0.00 177.10 175.22 2yry n PRO 18 N 5.02 0.14 0.02 0.43 -0.04 -1.26 -2.70 135.00 136.61 2yry n PRO 18 Ca 0.01 0.38 -0.17 0.00 -0.04 0.00 0.00 63.50 63.69 2yry n PRO 18 Cb 0.49 -1.77 -0.14 0.00 -0.04 0.00 0.00 33.50 32.04 2yry n PRO 18 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2yry h ASN 19 N 0.00 0.30 -2.91 3.54 2.35 -2.04 -3.46 115.58 113.37 2yry h ASN 19 Ca 0.00 -0.57 -0.53 0.00 -0.55 0.00 0.00 56.30 54.65 2yry h ASN 19 Cb 0.33 -0.10 0.03 0.00 0.05 0.00 0.00 38.32 38.62 2yry h ASN 19 CO 0.00 1.50 0.81 0.00 -1.65 0.00 0.00 177.43 178.09 2yry s ALA 20 N -2.59 3.65 0.12 -0.83 0.00 -1.10 -4.96 121.76 116.05 2yry s ALA 20 Ca -0.13 1.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.69 2yry s ALA 20 Cb 0.07 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 2yry s ALA 20 CO 0.81 -0.74 1.36 -1.25 0.00 0.00 0.00 175.76 175.93 2yry s PRO 21 N 1.42 4.34 -0.34 0.00 0.04 -1.26 -4.87 135.00 134.33 2yry s PRO 21 Ca 0.67 2.03 -0.33 0.00 0.04 0.00 0.00 61.00 63.41 2yry s PRO 21 Cb -0.39 -3.26 -0.10 0.00 0.04 0.00 0.00 34.50 30.80 2yry s PRO 21 CO 0.30 -0.39 2.21 0.28 0.04 0.00 0.00 177.00 179.44 2yry n VAL 22 N 3.81 0.20 0.44 -0.36 0.31 -1.26 -4.70 118.33 116.78 2yry n VAL 22 Ca 0.11 -0.31 -0.20 0.00 -0.01 0.00 0.00 64.34 63.93 2yry n VAL 22 Cb 0.43 -1.84 -0.10 0.00 -0.91 0.00 0.00 33.84 31.42 2yry n VAL 22 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2yry h THR 23 N 7.15 0.06 -2.48 2.52 2.02 -0.36 -3.46 112.91 118.36 2yry h THR 23 Ca -0.29 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 2yry h THR 23 Cb 1.30 0.06 -0.23 0.00 -1.74 0.00 0.00 68.15 67.54 2yry h THR 23 CO 1.02 0.00 -0.13 -0.75 0.37 0.00 0.00 175.52 176.03 2yry s LYS 24 N -5.97 0.58 -0.05 6.66 2.20 -1.19 -5.00 119.74 116.97 2yry s LYS 24 Ca -0.19 0.76 0.02 0.00 -0.36 0.00 0.00 55.97 56.20 2yry s LYS 24 Cb 0.03 0.25 0.01 0.00 -1.51 0.00 0.00 37.83 36.61 2yry s LYS 24 CO 0.61 -0.09 -0.11 0.00 -0.36 0.00 0.00 175.35 175.40 2yry s ALA 25 N 0.49 1.10 -0.25 3.13 0.00 -1.26 -1.09 121.76 123.88 2yry s ALA 25 Ca -0.02 -0.34 -0.26 0.00 0.00 0.00 0.00 51.96 51.34 2yry s ALA 25 Cb -0.04 -0.50 0.13 0.00 0.00 0.00 0.00 23.12 22.70 2yry s ALA 25 CO -0.02 0.10 1.06 0.20 0.00 0.00 0.00 175.76 177.10 2yry s GLY 26 N 0.62 -0.14 -0.46 0.00 0.00 -0.99 -5.05 107.32 101.30 2yry s GLY 26 Ca -0.12 2.58 -0.28 0.00 0.00 0.00 0.00 44.72 46.90 2yry s GLY 26 CO 0.03 1.64 1.71 -0.98 0.00 0.00 0.00 173.10 175.49 2yry s TRP 27 N -0.13 1.92 0.47 1.90 0.52 -1.26 -2.87 118.94 119.50 2yry s TRP 27 Ca 0.02 0.66 0.06 0.00 0.02 0.00 0.00 56.10 56.87 2yry s TRP 27 Cb -0.04 -4.18 -0.00 0.00 -1.15 0.00 0.00 33.47 28.10 2yry s TRP 27 CO -0.05 -2.46 0.32 -0.51 0.02 0.00 0.00 176.95 174.27 2yry s LEU 28 N 7.26 2.97 -0.32 2.99 1.43 -1.03 -4.88 118.68 127.11 2yry s LEU 28 Ca 0.69 -1.09 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2yry s LEU 28 Cb -0.16 -1.45 0.07 0.00 0.03 0.00 0.00 46.19 44.68 2yry s LEU 28 CO 0.28 -0.83 0.02 -0.36 0.23 0.00 0.00 176.35 175.69 2yry s PHE 29 N -2.65 3.44 -0.33 0.29 0.40 -1.05 -1.51 117.98 116.57 2yry s PHE 29 Ca 0.38 -2.36 -0.26 0.00 -0.60 0.00 0.00 56.93 54.09 2yry s PHE 29 Cb -0.01 -2.45 0.01 0.00 0.51 0.00 0.00 43.02 41.08 2yry s PHE 29 CO 0.22 -0.89 0.94 0.21 0.70 0.00 0.00 175.22 176.41 2yry s LYS 30 N 1.11 3.98 0.94 0.44 2.20 0.29 -1.59 119.74 127.11 2yry s LYS 30 Ca 0.00 0.79 -0.12 0.00 -0.36 0.00 0.00 55.97 56.28 2yry s LYS 30 Cb -0.20 -3.75 0.05 0.00 -1.51 0.00 0.00 37.83 32.42 2yry s LYS 30 CO -0.04 -0.83 0.52 0.94 -0.36 0.00 0.00 175.35 175.57 2yry n GLN 31 N 6.61 -0.28 -2.93 4.03 7.27 -1.07 -0.98 117.38 130.03 2yry n GLN 31 Ca 0.08 -0.04 -0.20 0.00 0.07 0.00 0.00 57.00 56.92 2yry n GLN 31 Cb 0.48 -1.93 0.06 0.00 2.41 0.00 0.00 30.24 31.25 2yry n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2yry s ALA 32 N -2.40 4.45 0.58 1.69 0.00 -1.26 -4.72 121.76 120.09 2yry s ALA 32 Ca 0.59 -1.91 0.09 0.00 0.00 0.00 0.00 51.96 50.73 2yry s ALA 32 Cb -0.22 -1.63 0.08 0.00 0.00 0.00 0.00 23.12 21.35 2yry s ALA 32 CO 0.66 -0.82 0.76 -1.12 0.00 0.00 0.00 175.76 175.24 2yry s SER 33 N -4.59 5.03 0.26 0.00 0.01 -1.26 -4.97 113.70 108.18 2yry s SER 33 Ca 0.61 -0.91 -0.29 0.00 1.31 0.00 0.00 55.95 56.67 2yry s SER 33 Cb -0.07 0.35 -0.15 0.00 0.21 0.00 0.00 66.02 66.36 2yry s SER 33 CO 0.38 -1.34 0.98 -0.24 0.41 0.00 0.00 173.24 173.44 2yry n SER 34 N -2.20 1.00 0.00 2.44 2.88 -1.26 -2.68 113.62 113.80 2yry n SER 34 Ca 0.14 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 2yry n SER 34 Cb 0.62 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 2yry n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yry n GLY 35 N 1.47 2.86 3.36 0.46 0.00 -1.26 -4.99 105.19 107.09 2yry n GLY 35 Ca 0.12 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 2yry n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yry s VAL 36 N 0.00 4.48 -1.01 1.61 1.01 -1.09 -5.03 120.40 120.37 2yry s VAL 36 Ca 0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 2yry s VAL 36 Cb 0.00 -3.51 0.20 0.00 0.00 0.00 0.00 36.38 33.08 2yry s VAL 36 CO 0.00 -0.23 1.08 -0.75 0.00 0.00 0.00 175.10 175.20 2yry s LYS 37 N 1.53 3.86 -0.30 2.72 2.20 -1.26 -4.22 119.74 124.28 2yry s LYS 37 Ca 0.02 -2.51 -0.17 0.00 -0.36 0.00 0.00 55.97 52.94 2yry s LYS 37 Cb -0.19 -4.72 0.18 0.00 -1.51 0.00 0.00 37.83 31.60 2yry s LYS 37 CO 0.06 -1.50 1.16 1.14 -0.36 0.00 0.00 175.35 175.85 2yry s GLN 38 N 0.71 0.15 0.47 4.03 -2.07 -1.26 -5.10 119.66 116.59 2yry s GLN 38 Ca 0.30 0.36 -0.25 0.00 -1.82 0.00 0.00 55.36 53.95 2yry s GLN 38 Cb -0.07 0.19 -0.08 0.00 -1.09 0.00 0.00 33.01 31.97 2yry s GLN 38 CO -0.07 -0.05 1.41 -1.58 -1.32 0.00 0.00 175.29 173.68 2yry s TRP 39 N 2.07 2.45 -0.31 9.60 0.52 -1.26 -4.10 118.94 127.90 2yry s TRP 39 Ca -0.02 1.29 -0.05 0.00 0.02 0.00 0.00 56.10 57.34 2yry s TRP 39 Cb -0.03 -3.88 0.03 0.00 -1.15 0.00 0.00 33.47 28.44 2yry s TRP 39 CO -0.16 -2.88 0.06 -0.80 0.02 0.00 0.00 176.95 173.20 2yry s ASN 40 N -0.61 5.07 -0.21 2.95 -0.87 -0.15 -4.93 114.94 116.19 2yry s ASN 40 Ca 0.63 -0.98 -0.29 0.00 -1.57 0.00 0.00 52.86 50.65 2yry s ASN 40 Cb -0.43 -1.83 -0.00 0.00 -0.02 0.00 0.00 41.25 38.97 2yry s ASN 40 CO 0.54 -0.25 1.16 -0.75 -2.57 0.00 0.00 177.10 175.23 2yry s LYS 41 N 1.41 4.22 0.17 -0.60 2.20 -1.26 -0.54 119.74 125.33 2yry s LYS 41 Ca -0.00 1.48 -0.02 0.00 -0.36 0.00 0.00 55.97 57.06 2yry s LYS 41 Cb -0.18 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.38 2yry s LYS 41 CO 0.01 -0.71 0.13 1.03 -0.36 0.00 0.00 175.35 175.45 2yry s ARG 42 N 3.42 1.09 -0.33 4.03 1.81 -0.57 -4.97 118.95 123.44 2yry s ARG 42 Ca 0.50 -1.49 -0.28 0.00 -1.72 0.00 0.00 55.73 52.73 2yry s ARG 42 Cb -0.18 0.28 0.02 0.00 -0.45 0.00 0.00 34.95 34.61 2yry s ARG 42 CO 0.11 -0.35 1.05 -0.46 -0.68 0.00 0.00 175.30 174.98 2yry s TRP 43 N -4.09 3.14 -0.15 -0.53 -0.00 -1.09 -2.46 118.94 113.76 2yry s TRP 43 Ca 0.30 1.13 -0.08 0.00 -0.00 0.00 0.00 56.10 57.45 2yry s TRP 43 Cb 0.07 -3.68 -0.04 0.00 -0.00 0.00 0.00 33.47 29.81 2yry s TRP 43 CO 0.06 -0.77 0.13 -0.06 -0.00 0.00 0.00 176.95 176.32 2yry s PHE 44 N 3.62 3.52 -0.03 5.86 0.40 -1.14 -1.02 117.98 129.19 2yry s PHE 44 Ca 0.44 0.45 -0.00 0.00 -0.60 0.00 0.00 56.93 57.22 2yry s PHE 44 Cb -0.12 -2.01 0.03 0.00 0.51 0.00 0.00 43.02 41.43 2yry s PHE 44 CO 0.16 0.58 0.02 0.08 0.70 0.00 0.00 175.22 176.76 2yry s VAL 45 N -0.55 0.06 -0.35 -0.44 1.01 0.68 -2.33 120.40 118.48 2yry s VAL 45 Ca 0.12 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 2yry s VAL 45 Cb -0.12 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.06 2yry s VAL 45 CO 0.02 0.15 0.20 -0.22 0.00 0.00 0.00 175.10 175.25 2yry s LEU 46 N 1.37 4.52 -0.05 3.92 2.96 -0.25 0.09 118.68 131.25 2yry s LEU 46 Ca -0.05 -0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 53.11 2yry s LEU 46 Cb -0.13 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.53 2yry s LEU 46 CO -0.03 -0.30 0.12 -0.69 -1.32 0.00 0.00 176.35 174.13 2yry s VAL 47 N 1.62 -0.02 -1.15 1.68 1.01 0.03 0.44 120.40 124.01 2yry s VAL 47 Ca 0.04 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 2yry s VAL 47 Cb -0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 2yry s VAL 47 CO 0.08 0.03 0.91 -0.67 0.00 0.00 0.00 175.10 175.45 2yry n ASP 48 N 3.53 -3.95 -2.35 3.32 2.03 -1.26 -1.68 116.55 116.19 2yry n ASP 48 Ca -0.18 -0.71 -0.05 0.00 0.52 0.00 0.00 54.79 54.37 2yry n ASP 48 Cb 0.56 -4.90 -0.00 0.00 -0.72 0.00 0.00 41.12 36.05 2yry n ASP 48 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2yry n ARG 49 N -3.80 -2.54 -4.12 -0.67 1.74 -1.26 -4.89 116.66 101.12 2yry n ARG 49 Ca -0.19 0.24 -0.15 0.00 -0.77 0.00 0.00 57.85 56.98 2yry n ARG 49 Cb 0.65 -4.74 -0.12 0.00 -1.02 0.00 0.00 32.46 27.23 2yry n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yry s LEU 51 N -1.26 4.24 -0.11 0.00 0.20 -1.04 -0.79 118.68 119.93 2yry s LEU 51 Ca -0.06 0.33 -0.01 0.00 0.69 0.00 0.00 54.13 55.09 2yry s LEU 51 Cb -0.08 -2.17 0.03 0.00 -0.43 0.00 0.00 46.19 43.54 2yry s LEU 51 CO 0.01 0.18 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.84 2yry s PHE 52 N 0.24 1.23 -0.25 5.38 0.08 0.11 -2.32 117.98 122.46 2yry s PHE 52 Ca 0.11 -0.59 -0.05 0.00 0.12 0.00 0.00 56.93 56.51 2yry s PHE 52 Cb -0.12 -1.10 -0.01 0.00 -0.57 0.00 0.00 43.02 41.23 2yry s PHE 52 CO 0.00 -0.47 0.02 1.52 -0.10 0.00 0.00 175.22 176.19 2yry s TYR 53 N 1.79 3.04 -0.09 0.36 -0.85 -1.23 -0.23 117.35 120.15 2yry s TYR 53 Ca 0.04 -0.82 -0.04 0.00 -0.52 0.00 0.00 57.07 55.73 2yry s TYR 53 Cb -0.13 -2.17 -0.04 0.00 0.38 0.00 0.00 41.96 40.00 2yry s TYR 53 CO -0.07 -0.51 0.08 0.71 -1.52 0.00 0.00 175.55 174.24 2yry s TYR 54 N 1.52 3.38 0.35 -3.49 1.51 -0.19 -3.74 117.35 116.70 2yry s TYR 54 Ca 0.05 0.34 0.16 0.00 -1.01 0.00 0.00 57.07 56.62 2yry s TYR 54 Cb -0.15 -1.85 1.21 0.00 -0.11 0.00 0.00 41.96 41.06 2yry s TYR 54 CO -0.00 0.60 1.58 1.57 -1.11 0.00 0.00 175.55 178.20 2yry h LYS 55 N 4.90 0.02 0.00 -0.62 2.10 -1.87 -2.88 116.57 118.22 2yry h LYS 55 Ca -0.52 -0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 57.90 2yry h LYS 55 Cb 1.21 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 32.47 2yry h LYS 55 CO 0.57 0.02 -0.20 -0.25 -2.00 0.00 0.00 179.45 177.59 2yry n ASP 56 N -5.29 -0.47 -1.63 7.07 8.00 -1.26 -4.46 116.55 118.50 2yry n ASP 56 Ca 0.34 -2.11 -0.04 0.00 0.71 0.00 0.00 54.79 53.70 2yry n ASP 56 Cb 1.16 1.01 -0.03 0.00 -0.02 0.00 0.00 41.12 43.24 2yry n ASP 56 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2yry n GLU 57 N -0.32 1.25 -0.11 -1.24 -0.00 -1.26 -3.82 120.64 115.14 2yry n GLU 57 Ca 0.03 -0.32 -0.12 0.00 -0.00 0.00 0.00 57.16 56.74 2yry n GLU 57 Cb 0.32 -1.23 -0.15 0.00 -0.00 0.00 0.00 31.44 30.37 2yry n GLU 57 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2yry n LYS 58 N 1.58 0.68 -3.69 3.44 4.76 -1.26 -5.01 118.16 118.65 2yry n LYS 58 Ca 0.10 0.04 -0.22 0.00 -2.87 0.00 0.00 58.31 55.36 2yry n LYS 58 Cb 0.58 -1.52 0.04 0.00 -1.84 0.00 0.00 35.03 32.29 2yry n LYS 58 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2yry n GLU 59 N -2.90 -5.31 -0.03 1.97 1.02 -1.25 -4.93 120.64 109.21 2yry n GLU 59 Ca -0.37 0.65 -0.04 0.00 -0.02 0.00 0.00 57.16 57.39 2yry n GLU 59 Cb 1.11 -5.33 -0.01 0.00 -0.02 0.00 0.00 31.44 27.19 2yry n GLU 59 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2yry n GLU 60 N -4.34 0.22 -4.56 3.49 -0.58 -1.26 -5.01 120.64 108.60 2yry n GLU 60 Ca -0.24 0.09 -0.33 0.00 -0.42 0.00 0.00 57.16 56.25 2yry n GLU 60 Cb 0.65 -0.82 -0.13 0.00 -0.57 0.00 0.00 31.44 30.57 2yry n GLU 60 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2yry s SER 61 N -5.29 4.35 -0.27 1.62 0.15 -1.26 -5.09 113.70 107.92 2yry s SER 61 Ca -0.12 -0.25 -0.26 0.00 0.70 0.00 0.00 55.95 56.01 2yry s SER 61 Cb 0.02 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 2yry s SER 61 CO 0.18 0.15 0.93 -0.63 1.20 0.00 0.00 173.24 175.07 2yry s ILE 62 N 0.44 4.72 -0.01 6.45 1.01 -1.26 -4.64 121.20 127.90 2yry s ILE 62 Ca -0.07 1.65 -0.21 0.00 0.00 0.00 0.00 60.65 62.02 2yry s ILE 62 Cb -0.15 -4.24 -0.24 0.00 0.01 0.00 0.00 42.46 37.84 2yry s ILE 62 CO 0.04 -0.22 1.07 -0.07 0.00 0.00 0.00 174.94 175.75 2yry h LEU 63 N 9.50 0.44 -7.07 2.97 3.38 -1.98 -3.47 115.31 119.09 2yry h LEU 63 Ca -0.22 -0.78 -0.04 0.00 0.09 0.00 0.00 57.88 56.94 2yry h LEU 63 Cb 1.08 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.47 2yry h LEU 63 CO 0.94 1.16 -0.03 -0.83 0.09 0.00 0.00 178.44 179.77 2yry s GLY 64 N -4.06 -0.52 -0.08 0.83 0.00 -1.26 -5.10 107.32 97.13 2yry s GLY 64 Ca -0.14 2.02 0.04 0.00 0.00 0.00 0.00 44.72 46.64 2yry s GLY 64 CO 0.80 1.93 -0.21 -1.35 0.00 0.00 0.00 173.10 174.28 2yry s SER 65 N 1.07 3.39 -0.18 1.64 1.04 -1.26 -3.53 113.70 115.88 2yry s SER 65 Ca -0.06 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 55.94 2yry s SER 65 Cb -0.05 -1.14 0.02 0.00 0.10 0.00 0.00 66.02 64.94 2yry s SER 65 CO -0.10 0.22 -0.20 -0.63 0.98 0.00 0.00 173.24 173.51 2yry s ILE 66 N -0.00 2.11 -1.19 -1.02 1.09 -0.98 -5.01 121.20 116.20 2yry s ILE 66 Ca -0.07 -0.93 -0.23 0.00 -1.10 0.00 0.00 60.65 58.33 2yry s ILE 66 Cb -0.15 -1.88 -0.09 0.00 -1.06 0.00 0.00 42.46 39.28 2yry s ILE 66 CO 0.05 0.54 1.94 -2.16 -0.10 0.00 0.00 174.94 175.20 2yry s PRO 67 N 1.23 2.49 0.46 2.79 0.04 -1.26 -2.48 135.00 138.26 2yry s PRO 67 Ca 0.03 -1.17 0.23 0.00 0.04 0.00 0.00 61.00 60.13 2yry s PRO 67 Cb -0.13 -5.24 1.23 0.00 0.04 0.00 0.00 34.50 30.40 2yry s PRO 67 CO -0.11 -4.00 1.86 -0.07 0.04 0.00 0.00 177.00 174.72 2yry h LEU 68 N 17.78 0.26 -1.14 -3.56 3.38 -1.89 0.15 115.31 130.29 2yry h LEU 68 Ca 0.22 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2yry h LEU 68 Cb 0.94 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2yry h LEU 68 CO 1.22 0.09 0.48 0.25 0.09 0.00 0.00 178.44 180.58 2yry h LEU 69 N 0.25 0.00 -4.42 1.67 5.85 -1.58 0.21 115.31 117.29 2yry h LEU 69 Ca 0.46 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.65 2yry h LEU 69 Cb 1.40 0.00 -0.42 0.00 0.37 0.00 0.00 40.66 42.01 2yry h LEU 69 CO -0.13 0.00 -0.82 -1.20 -0.34 0.00 0.00 178.44 175.95 2yry n SER 70 N -2.48 4.25 -4.00 1.25 7.64 0.54 -4.57 113.62 116.23 2yry n SER 70 Ca -0.01 -3.53 -0.10 0.00 1.01 0.00 0.00 58.87 56.24 2yry n SER 70 Cb 0.51 -0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 63.20 2yry n SER 70 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2yry s PHE 71 N -3.52 0.50 -0.53 1.43 0.40 0.75 -4.29 117.98 112.72 2yry s PHE 71 Ca 0.45 -0.85 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 2yry s PHE 71 Cb 0.41 -0.09 0.14 0.00 0.51 0.00 0.00 43.02 43.99 2yry s PHE 71 CO -0.10 -0.76 0.30 1.03 0.70 0.00 0.00 175.22 176.40 2yry s ARG 72 N -4.00 1.87 0.44 0.44 0.52 0.27 -4.40 118.95 114.08 2yry s ARG 72 Ca 0.21 -2.59 -0.24 0.00 -0.52 0.00 0.00 55.73 52.58 2yry s ARG 72 Cb 0.03 -3.04 -0.08 0.00 0.52 0.00 0.00 34.95 32.38 2yry s ARG 72 CO 0.03 -1.16 1.24 0.08 0.02 0.00 0.00 175.30 175.51 2yry s VAL 73 N -0.34 2.80 -0.23 3.52 1.01 -1.26 -3.23 120.40 122.67 2yry s VAL 73 Ca 0.19 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 2yry s VAL 73 Cb -0.21 -3.36 0.16 0.00 0.00 0.00 0.00 36.38 32.98 2yry s VAL 73 CO -0.04 0.05 1.22 0.00 0.00 0.00 0.00 175.10 176.33 2yry s ALA 74 N -1.38 -2.05 0.70 5.51 0.00 -1.13 -4.87 121.76 118.54 2yry s ALA 74 Ca 0.61 1.76 -0.16 0.00 0.00 0.00 0.00 51.96 54.17 2yry s ALA 74 Cb -0.34 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.71 2yry s ALA 74 CO 0.42 -0.30 1.20 0.00 0.00 0.00 0.00 175.76 177.08 2yry s ALA 75 N -1.20 2.24 1.05 0.00 0.00 -1.26 -1.42 121.76 121.16 2yry s ALA 75 Ca 0.05 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 52.74 2yry s ALA 75 Cb -0.01 -3.45 0.21 0.00 0.00 0.00 0.00 23.12 19.88 2yry s ALA 75 CO -0.04 -1.68 1.09 0.14 0.00 0.00 0.00 175.76 175.26 2yry s VAL 76 N -1.96 1.96 0.27 0.00 -7.23 0.16 -4.75 120.40 108.86 2yry s VAL 76 Ca 0.74 0.00 0.12 0.00 -1.81 0.00 0.00 61.98 61.03 2yry s VAL 76 Cb -0.28 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 2yry s VAL 76 CO 0.43 0.00 -0.20 -1.10 -0.31 0.00 0.00 175.10 173.92 2yry s GLN 77 N -4.95 1.65 0.00 4.82 -0.21 -1.26 -4.99 119.66 114.72 2yry s GLN 77 Ca 0.66 -1.74 0.12 0.00 0.02 0.00 0.00 55.36 54.42 2yry s GLN 77 Cb -0.19 -1.75 0.73 0.00 1.00 0.00 0.00 33.01 32.81 2yry s GLN 77 CO 0.58 0.33 1.16 -0.35 -2.12 0.00 0.00 175.29 174.89 2yry n PRO 78 N -0.54 0.49 -0.01 2.91 -0.04 -1.26 -1.99 135.00 134.56 2yry n PRO 78 Ca -0.06 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.49 2yry n PRO 78 Cb 0.60 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.53 2yry n PRO 78 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yry n SER 79 N -0.89 1.19 -4.79 3.54 7.64 -1.26 -5.00 113.62 114.05 2yry n SER 79 Ca 0.09 -0.01 -0.30 0.00 1.01 0.00 0.00 58.87 59.66 2yry n SER 79 Cb 0.04 1.75 0.09 0.00 -1.01 0.00 0.00 64.21 65.08 2yry n SER 79 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2yry s ASP 80 N -3.89 4.56 -0.12 6.43 1.01 -0.84 -4.91 116.67 118.90 2yry s ASP 80 Ca -0.06 1.44 -0.00 0.00 0.71 0.00 0.00 52.55 54.64 2yry s ASP 80 Cb 0.11 -2.20 0.09 0.00 1.01 0.00 0.00 42.92 41.93 2yry s ASP 80 CO 0.69 -1.94 1.89 -0.46 0.21 0.00 0.00 175.17 175.55 2yry n ASN 81 N -3.43 5.42 -4.45 0.27 6.94 -1.26 -4.82 115.26 113.93 2yry n ASN 81 Ca 0.07 -2.63 -0.43 0.00 -0.02 0.00 0.00 54.58 51.57 2yry n ASN 81 Cb 0.55 -1.02 -0.09 0.00 -2.36 0.00 0.00 39.78 36.86 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2yry s ILE 82 N -0.90 5.21 -0.06 1.53 -1.09 -1.26 -4.95 121.20 119.68 2yry s ILE 82 Ca 0.13 -0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 57.84 2yry s ILE 82 Cb 0.10 -4.01 0.02 0.00 -1.58 0.00 0.00 42.46 36.99 2yry s ILE 82 CO 0.00 -0.41 2.11 -1.20 -1.23 0.00 0.00 174.94 174.21 2yry n SER 83 N 5.28 5.56 -4.08 3.58 7.64 -1.26 -4.82 113.62 125.52 2yry n SER 83 Ca -0.11 -2.54 -0.22 0.00 1.01 0.00 0.00 58.87 57.02 2yry n SER 83 Cb 0.46 -1.14 -0.09 0.00 -1.01 0.00 0.00 64.21 62.44 2yry n SER 83 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2yry s ARG 84 N -0.28 1.73 -0.03 1.43 0.52 -1.26 -5.11 118.95 115.94 2yry s ARG 84 Ca 0.10 -2.01 -0.04 0.00 -0.52 0.00 0.00 55.73 53.26 2yry s ARG 84 Cb 0.07 -0.37 -0.01 0.00 0.52 0.00 0.00 34.95 35.15 2yry s ARG 84 CO -0.00 -0.43 -0.08 1.63 0.02 0.00 0.00 175.30 176.43 2yry n LYS 85 N -0.71 0.13 -2.95 3.54 4.76 -1.26 -4.84 118.16 116.81 2yry n LYS 85 Ca -0.02 0.05 -0.44 0.00 -2.87 0.00 0.00 58.31 55.03 2yry n LYS 85 Cb 0.65 -0.61 -0.01 0.00 -1.84 0.00 0.00 35.03 33.22 2yry n LYS 85 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2yry s HIS 86 N -1.57 3.38 0.10 2.13 0.09 -1.26 -4.89 115.29 113.28 2yry s HIS 86 Ca -0.07 -1.88 0.04 0.00 -0.00 0.00 0.00 55.06 53.15 2yry s HIS 86 Cb 0.01 -4.29 -0.04 0.00 -0.00 0.00 0.00 32.58 28.27 2yry s HIS 86 CO 0.10 -1.41 -0.10 0.99 -0.00 0.00 0.00 174.74 174.32 2yry s THR 87 N 1.90 0.94 -0.16 1.30 2.01 -1.26 -1.90 115.64 118.47 2yry s THR 87 Ca 0.38 -1.73 -0.09 0.00 0.31 0.00 0.00 61.69 60.56 2yry s THR 87 Cb -0.04 -1.46 0.05 0.00 0.01 0.00 0.00 72.50 71.07 2yry s THR 87 CO -0.04 -0.62 0.39 0.72 -0.69 0.00 0.00 174.62 174.38 2yry s PHE 88 N -2.70 -0.55 0.06 4.92 -0.71 -0.10 -0.67 117.98 118.23 2yry s PHE 88 Ca 0.08 1.19 0.10 0.00 -1.04 0.00 0.00 56.93 57.26 2yry s PHE 88 Cb -0.01 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 2yry s PHE 88 CO -0.00 -0.31 -0.26 -1.59 -1.34 0.00 0.00 175.22 171.71 2yry s LYS 89 N 1.24 1.68 0.07 1.99 0.00 -0.50 -0.53 119.74 123.70 2yry s LYS 89 Ca -0.08 -1.15 0.02 0.00 0.00 0.00 0.00 55.97 54.75 2yry s LYS 89 Cb -0.08 -1.93 -0.04 0.00 0.00 0.00 0.00 37.83 35.78 2yry s LYS 89 CO -0.11 0.49 0.14 0.00 0.00 0.00 0.00 175.35 175.87 2yry s ALA 90 N -0.86 3.76 -0.02 0.59 0.00 0.25 -2.84 121.76 122.64 2yry s ALA 90 Ca 0.12 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 2yry s ALA 90 Cb -0.10 -1.60 0.02 0.00 0.00 0.00 0.00 23.12 21.44 2yry s ALA 90 CO 0.03 0.78 0.03 -1.83 0.00 0.00 0.00 175.76 174.77 2yry s GLU 91 N -2.47 -0.00 0.00 0.00 -1.05 -1.20 -0.84 118.70 113.14 2yry s GLU 91 Ca 0.32 0.13 0.15 0.00 -0.15 0.00 0.00 54.97 55.42 2yry s GLU 91 Cb -0.12 -0.12 0.06 0.00 -0.44 0.00 0.00 34.13 33.51 2yry s GLU 91 CO 0.25 -0.09 0.91 1.58 0.95 0.00 0.00 175.26 178.85 2yry n HIS 92 N 3.67 0.00 -4.08 4.83 -0.00 -1.18 0.97 115.22 119.42 2yry n HIS 92 Ca -0.20 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.18 2yry n HIS 92 Cb 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.54 2yry n HIS 92 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2yry n ALA 93 N 0.40 -1.28 0.00 1.57 0.00 -1.26 -4.56 120.51 115.38 2yry n ALA 93 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2yry n ALA 93 Cb 0.35 -3.95 0.00 0.00 0.00 0.00 0.00 19.45 15.85 2yry n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yry n GLY 94 N -1.54 0.16 0.21 0.00 0.00 -1.26 -5.04 105.19 97.72 2yry n GLY 94 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 2yry n GLY 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yry n VAL 95 N -1.37 0.37 -3.82 1.61 0.31 -1.26 -5.14 118.33 109.04 2yry n VAL 95 Ca 0.00 0.35 -0.01 0.00 -0.01 0.00 0.00 64.34 64.67 2yry n VAL 95 Cb 0.00 -1.61 0.01 0.00 -0.91 0.00 0.00 33.84 31.33 2yry n VAL 95 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2yry n ARG 96 N -2.96 0.40 -3.96 5.55 1.85 -1.26 -5.07 116.66 111.22 2yry n ARG 96 Ca -0.03 -0.97 -0.30 0.00 -1.00 0.00 0.00 57.85 55.55 2yry n ARG 96 Cb 0.11 1.35 -0.16 0.00 -1.05 0.00 0.00 32.46 32.71 2yry n ARG 96 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2yry s THR 97 N -2.16 1.60 0.36 8.89 2.01 -1.26 -3.12 115.64 121.96 2yry s THR 97 Ca 0.18 -1.25 -0.17 0.00 0.31 0.00 0.00 61.69 60.76 2yry s THR 97 Cb -0.02 -1.84 -0.09 0.00 0.01 0.00 0.00 72.50 70.55 2yry s THR 97 CO 0.03 -0.08 0.80 -0.31 -0.69 0.00 0.00 174.62 174.37 2yry s TYR 98 N 1.36 3.36 0.04 4.92 1.51 -0.02 -4.84 117.35 123.68 2yry s TYR 98 Ca -0.06 1.33 0.09 0.00 -1.01 0.00 0.00 57.07 57.42 2yry s TYR 98 Cb -0.19 -2.63 -0.03 0.00 -0.11 0.00 0.00 41.96 39.01 2yry s TYR 98 CO -0.06 0.02 -0.26 -0.06 -1.11 0.00 0.00 175.55 174.09 2yry s PHE 99 N -2.06 2.25 -0.12 2.71 0.40 -1.26 0.87 117.98 120.77 2yry s PHE 99 Ca 0.56 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 56.44 2yry s PHE 99 Cb -0.10 -1.36 0.06 0.00 0.51 0.00 0.00 43.02 42.13 2yry s PHE 99 CO 0.17 0.10 0.22 -0.06 0.70 0.00 0.00 175.22 176.35 2yry s PHE 100 N -0.78 -0.32 -0.09 0.36 0.08 0.31 -2.59 117.98 114.96 2yry s PHE 100 Ca 0.11 0.74 -0.03 0.00 0.12 0.00 0.00 56.93 57.86 2yry s PHE 100 Cb -0.10 -0.16 -0.04 0.00 -0.57 0.00 0.00 43.02 42.15 2yry s PHE 100 CO 0.02 -0.36 0.05 0.45 -0.10 0.00 0.00 175.22 175.28 2yry s SER 101 N 2.36 5.64 -0.11 1.36 0.15 -0.62 -0.93 113.70 121.55 2yry s SER 101 Ca 0.03 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2yry s SER 101 Cb -0.13 -1.67 -0.02 0.00 -1.71 0.00 0.00 66.02 62.49 2yry s SER 101 CO -0.08 0.38 -0.11 0.00 1.20 0.00 0.00 173.24 174.62 2yry s ALA 102 N -0.96 2.71 0.18 5.45 0.00 -0.80 -2.54 121.76 125.81 2yry s ALA 102 Ca 0.15 -0.89 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 2yry s ALA 102 Cb -0.12 -1.22 0.11 0.00 0.00 0.00 0.00 23.12 21.90 2yry s ALA 102 CO 0.04 0.33 1.59 0.93 0.00 0.00 0.00 175.76 178.65 2yry h GLU 103 N 6.32 -0.17 -6.18 0.00 3.07 -1.90 -3.42 114.58 112.30 2yry h GLU 103 Ca -0.32 0.01 -0.56 0.00 -0.50 0.00 0.00 59.36 57.99 2yry h GLU 103 Cb 1.20 0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 29.05 2yry h GLU 103 CO 0.55 -0.11 -0.63 -1.12 -1.40 0.00 0.00 179.01 176.30 2yry s SER 104 N -5.15 4.55 0.51 1.42 0.01 -1.26 -4.94 113.70 108.84 2yry s SER 104 Ca -0.14 -0.67 0.33 0.00 1.31 0.00 0.00 55.95 56.77 2yry s SER 104 Cb 0.15 -0.82 1.35 0.00 0.21 0.00 0.00 66.02 66.91 2yry s SER 104 CO 0.69 -0.04 1.96 1.55 0.41 0.00 0.00 173.24 177.80 2yry h PRO 105 N 1.84 0.00 -0.22 12.44 0.13 -1.91 -2.93 132.00 141.34 2yry h PRO 105 Ca -0.44 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.53 2yry h PRO 105 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2yry h PRO 105 CO 0.61 0.00 -0.52 0.93 -0.23 0.00 0.00 178.00 178.79 2yry h GLU 106 N 0.00 0.63 0.09 0.86 5.08 -1.95 -3.03 114.58 116.26 2yry h GLU 106 Ca 0.00 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2yry h GLU 106 Cb 0.47 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2yry h GLU 106 CO 0.00 1.00 -0.04 0.93 -1.00 0.00 0.00 179.01 179.89 2yry h GLU 107 N 0.49 -0.12 -0.38 2.33 3.07 -1.91 -2.43 114.58 115.64 2yry h GLU 107 Ca 0.02 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.93 2yry h GLU 107 Cb 1.07 0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.93 2yry h GLU 107 CO 0.10 0.37 -0.54 0.37 -1.40 0.00 0.00 179.01 177.91 2yry h GLN 108 N -0.68 -0.39 -0.18 2.33 4.15 -1.61 0.21 115.11 118.94 2yry h GLN 108 Ca -0.01 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.48 2yry h GLN 108 Cb 0.54 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.28 2yry h GLN 108 CO 0.02 -0.26 -0.09 1.05 -1.93 0.00 0.00 178.83 177.63 2yry h GLU 109 N -0.40 -0.06 -0.87 1.69 4.11 -1.64 -1.30 114.58 116.11 2yry h GLU 109 Ca 0.07 0.00 0.16 0.00 0.07 0.00 0.00 59.36 59.67 2yry h GLU 109 Cb 0.59 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.75 2yry h GLU 109 CO -0.57 -0.04 0.44 0.00 0.07 0.00 0.00 179.01 178.91 2yry h ALA 110 N 1.09 1.34 0.61 1.06 0.00 -0.79 -2.30 119.26 120.27 2yry h ALA 110 Ca 0.10 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2yry h ALA 110 Cb 0.21 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2yry h ALA 110 CO -0.22 -0.14 -0.29 -1.49 0.00 0.00 0.00 179.25 177.11 2yry h TRP 111 N 0.59 -0.76 -1.57 0.00 4.06 0.19 -2.99 115.95 115.46 2yry h TRP 111 Ca 0.49 -0.02 0.51 0.00 2.06 0.00 0.00 58.89 61.93 2yry h TRP 111 Cb 0.75 0.25 -0.12 0.00 -1.00 0.00 0.00 29.16 29.04 2yry h TRP 111 CO -0.09 -0.47 1.06 -0.89 -3.56 0.00 0.00 178.44 174.48 2yry n ILE 112 N -4.73 -0.17 -0.09 1.49 5.41 -0.57 0.13 119.36 120.83 2yry n ILE 112 Ca -0.10 1.70 -0.09 0.00 1.00 0.00 0.00 62.75 65.26 2yry n ILE 112 Cb 0.32 -2.81 -0.02 0.00 -0.71 0.00 0.00 39.64 36.43 2yry n ILE 112 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2yry h GLN 113 N 0.00 0.42 0.07 0.38 4.20 -1.27 0.45 115.11 119.36 2yry h GLN 113 Ca 0.90 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 59.43 2yry h GLN 113 Cb 3.15 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 30.84 2yry h GLN 113 CO -0.32 0.31 -0.73 0.00 -0.67 0.00 0.00 178.83 177.42 2yry h ALA 114 N 1.08 0.05 0.52 3.87 0.00 0.10 -3.26 119.26 121.63 2yry h ALA 114 Ca 0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 2yry h ALA 114 Cb -0.00 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2yry h ALA 114 CO -0.02 0.39 -0.25 0.52 0.00 0.00 0.00 179.25 179.89 2yry h MET 115 N -0.66 -0.68 -0.93 0.00 2.86 -0.50 -1.14 114.93 113.89 2yry h MET 115 Ca -0.16 0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.68 2yry h MET 115 Cb 1.41 0.15 -0.16 0.00 0.06 0.00 0.00 31.60 33.06 2yry h MET 115 CO 0.03 -0.45 -0.37 0.78 1.06 0.00 0.00 176.91 177.96 2yry h GLY 116 N -0.85 0.10 0.96 8.32 0.00 -0.26 0.22 103.07 111.56 2yry h GLY 116 Ca -0.07 0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.70 2yry h GLY 116 CO 0.12 -0.22 -0.46 0.83 0.00 0.00 0.00 176.54 176.81 2yry h GLU 117 N -0.02 -1.24 0.00 4.80 5.08 -1.60 0.82 114.58 122.41 2yry h GLU 117 Ca 0.34 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2yry h GLU 117 Cb 0.60 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2yry h GLU 117 CO -0.94 -0.83 0.37 0.00 -1.00 0.00 0.00 179.01 176.61 2yry h ALA 118 N -1.40 1.31 0.10 3.43 0.00 -0.22 0.21 119.26 122.69 2yry h ALA 118 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.41 2yry h ALA 118 Cb 0.99 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2yry h ALA 118 CO 0.22 -0.31 -2.05 0.00 0.00 0.00 0.00 179.25 177.11 2yry n ALA 119 N -1.68 0.98 -1.88 0.00 0.00 0.67 -3.40 120.51 115.20 2yry n ALA 119 Ca -0.01 -0.66 -0.41 0.00 0.00 0.00 0.00 53.44 52.35 2yry n ALA 119 Cb 0.40 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 2yry n ALA 119 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2yry s ARG 120 N -2.56 4.43 -0.86 0.00 1.70 0.72 -4.01 118.95 118.38 2yry s ARG 120 Ca -0.23 2.05 -0.11 0.00 -0.47 0.00 0.00 55.73 56.97 2yry s ARG 120 Cb 0.07 -3.16 0.22 0.00 -0.57 0.00 0.00 34.95 31.52 2yry s ARG 120 CO 0.75 -0.13 0.79 0.08 -1.08 0.00 0.00 175.30 175.71 2yry s VAL 121 N -0.54 5.32 -2.00 4.99 1.01 -1.26 -4.92 120.40 123.00 2yry s VAL 121 Ca 0.52 -2.83 0.05 0.00 0.00 0.00 0.00 61.98 59.71 2yry s VAL 121 Cb -0.36 -4.29 0.13 0.00 0.00 0.00 0.00 36.38 31.86 2yry s VAL 121 CO 0.43 -1.04 0.75 0.00 0.00 0.00 0.00 175.10 175.24