#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yry s SER 2 N 0.00 1.55 -0.17 1.61 0.15 -1.26 -5.14 113.70 110.44 2yry s SER 2 Ca 0.00 -0.31 -0.06 0.00 0.70 0.00 0.00 55.95 56.28 2yry s SER 2 Cb 0.00 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 2yry s SER 2 CO 0.00 -0.33 0.04 -0.55 1.20 0.00 0.00 173.24 173.59 2yry s SER 3 N 2.30 5.44 0.05 5.45 0.15 -1.26 -4.99 113.70 120.85 2yry s SER 3 Ca 0.06 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2yry s SER 3 Cb -0.16 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2yry s SER 3 CO -0.13 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2yry n GLY 4 N 3.38 -2.70 3.53 9.45 0.00 -1.26 -4.93 105.19 112.65 2yry n GLY 4 Ca -0.17 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 2yry n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yry s SER 5 N -4.20 5.21 -0.01 1.61 0.15 -1.26 -5.09 113.70 110.11 2yry s SER 5 Ca 0.00 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2yry s SER 5 Cb 0.00 -1.90 0.02 0.00 -1.71 0.00 0.00 66.02 62.43 2yry s SER 5 CO 0.00 0.10 0.02 -0.94 1.20 0.00 0.00 173.24 173.61 2yry s SER 6 N 0.83 0.06 0.00 5.45 1.04 -1.26 -5.14 113.70 114.68 2yry s SER 6 Ca 0.02 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2yry s SER 6 Cb -0.14 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2yry s SER 6 CO 0.02 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2yry n GLY 7 N 3.75 1.95 0.67 7.32 0.00 -1.26 -5.11 105.19 112.52 2yry n GLY 7 Ca -0.22 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.20 3.67 -0.02 0.00 -1.26 -5.13 105.19 102.25 2yry n GLY 8 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.99 1.62 -0.06 1.61 -2.85 -1.26 -5.16 119.74 111.65 2yry s LYS 9 Ca -0.08 -1.17 -0.02 0.00 -1.00 0.00 0.00 55.97 53.70 2yry s LYS 9 Cb 0.01 0.51 0.03 0.00 -2.06 0.00 0.00 37.83 36.33 2yry s LYS 9 CO 0.12 -0.70 0.04 1.03 0.10 0.00 0.00 175.35 175.94 2yry s ARG 10 N -3.99 0.16 0.47 1.78 0.52 -1.26 -5.15 118.95 111.49 2yry s ARG 10 Ca 0.19 0.26 0.07 0.00 -0.52 0.00 0.00 55.73 55.73 2yry s ARG 10 Cb -0.02 -0.73 0.08 0.00 0.52 0.00 0.00 34.95 34.79 2yry s ARG 10 CO 0.08 -0.34 0.65 0.45 0.02 0.00 0.00 175.30 176.17 2yry n SER 11 N 5.25 1.63 -0.10 0.23 2.88 -1.26 -5.08 113.62 117.17 2yry n SER 11 Ca -0.05 -2.20 -0.21 0.00 -1.33 0.00 0.00 58.87 55.09 2yry n SER 11 Cb 0.50 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.54 2yry n SER 11 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2yry n HIS 12 N -2.06 0.00 -1.42 0.66 -0.00 -1.26 -4.94 115.22 106.21 2yry n HIS 12 Ca 0.13 0.00 -0.49 0.00 -0.00 0.00 0.00 57.72 57.36 2yry n HIS 12 Cb 0.48 -0.70 -0.10 0.00 -0.00 0.00 0.00 29.99 29.67 2yry n HIS 12 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2yry n SER 13 N -3.90 1.28 -4.68 0.41 7.64 -1.26 -4.81 113.62 108.30 2yry n SER 13 Ca -0.38 0.31 -0.45 0.00 1.01 0.00 0.00 58.87 59.36 2yry n SER 13 Cb 0.77 -1.11 -0.04 0.00 -1.01 0.00 0.00 64.21 62.82 2yry n SER 13 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2yry n MET 14 N 8.18 2.39 -3.85 1.43 0.00 -1.26 -4.97 117.12 119.04 2yry n MET 14 Ca 0.51 0.87 -0.10 0.00 0.00 0.00 0.00 57.70 58.98 2yry n MET 14 Cb 0.14 -2.68 -0.06 0.00 0.00 0.00 0.00 33.22 30.62 2yry n MET 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2yry s LYS 15 N 1.54 1.20 -0.28 0.03 -2.85 -1.26 -4.97 119.74 113.14 2yry s LYS 15 Ca 0.80 -1.01 -0.10 0.00 -1.00 0.00 0.00 55.97 54.66 2yry s LYS 15 Cb -0.61 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 35.56 2yry s LYS 15 CO 0.38 -0.46 0.15 0.50 0.10 0.00 0.00 175.35 176.01 2yry s ARG 16 N -3.91 3.67 -0.13 1.78 6.06 -1.26 -5.04 118.95 120.11 2yry s ARG 16 Ca 0.12 -0.49 -0.09 0.00 -2.50 0.00 0.00 55.73 52.77 2yry s ARG 16 Cb 0.02 -3.54 -0.04 0.00 0.06 0.00 0.00 34.95 31.44 2yry s ARG 16 CO -0.03 -0.26 0.17 -0.80 -2.50 0.00 0.00 175.30 171.87 2yry s ASN 17 N 1.68 6.38 0.22 -2.12 0.01 -1.26 -5.00 114.94 114.84 2yry s ASN 17 Ca 0.06 0.45 -0.02 0.00 -0.71 0.00 0.00 52.86 52.65 2yry s ASN 17 Cb -0.16 -2.09 0.20 0.00 0.41 0.00 0.00 41.25 39.60 2yry s ASN 17 CO 0.07 0.33 1.58 1.55 -1.51 0.00 0.00 177.10 179.13 2yry h PRO 18 N 5.45 0.56 -0.60 -0.60 0.13 -2.02 -3.10 132.00 131.83 2yry h PRO 18 Ca -0.51 -0.30 -0.04 0.00 -0.87 0.00 0.00 66.00 64.29 2yry h PRO 18 Cb 1.21 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2yry h PRO 18 CO 0.63 0.88 0.20 -0.91 -0.23 0.00 0.00 178.00 178.58 2yry h ASN 19 N 0.46 0.82 -2.80 1.44 2.35 -2.05 -3.42 115.58 112.38 2yry h ASN 19 Ca 0.04 -0.13 -0.53 0.00 -0.55 0.00 0.00 56.30 55.13 2yry h ASN 19 Cb 0.93 -0.21 0.02 0.00 0.05 0.00 0.00 38.32 39.11 2yry h ASN 19 CO 0.08 0.77 0.90 0.00 -1.65 0.00 0.00 177.43 177.53 2yry s ALA 20 N -5.34 3.67 0.38 -0.83 0.00 -1.17 -4.97 121.76 113.50 2yry s ALA 20 Ca -0.10 1.17 -0.26 0.00 0.00 0.00 0.00 51.96 52.76 2yry s ALA 20 Cb 0.16 -3.64 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 2yry s ALA 20 CO 0.80 -0.93 1.20 -1.25 0.00 0.00 0.00 175.76 175.58 2yry s PRO 21 N 2.08 4.14 -0.24 0.00 0.04 -1.26 -4.91 135.00 134.84 2yry s PRO 21 Ca 0.70 1.93 -0.29 0.00 0.04 0.00 0.00 61.00 63.38 2yry s PRO 21 Cb -0.39 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 2yry s PRO 21 CO 0.31 -0.27 1.36 0.54 0.04 0.00 0.00 177.00 178.97 2yry s VAL 22 N -1.33 4.07 0.00 -0.36 0.11 -1.26 -4.43 120.40 117.20 2yry s VAL 22 Ca 0.55 1.24 -0.25 0.00 -2.93 0.00 0.00 61.98 60.59 2yry s VAL 22 Cb -0.33 -4.00 -0.18 0.00 -1.53 0.00 0.00 36.38 30.34 2yry s VAL 22 CO 0.42 -0.33 1.31 0.74 -3.33 0.00 0.00 175.10 173.91 2yry h THR 23 N 5.85 1.07 -1.90 5.04 2.02 -0.31 -3.47 112.91 121.22 2yry h THR 23 Ca -0.28 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 2yry h THR 23 Cb 1.11 1.57 -0.22 0.00 -1.74 0.00 0.00 68.15 68.87 2yry h THR 23 CO 1.01 0.19 0.20 -0.75 0.37 0.00 0.00 175.52 176.53 2yry s LYS 24 N -4.65 0.74 0.03 6.66 2.20 -1.17 -5.00 119.74 118.55 2yry s LYS 24 Ca -0.15 0.92 0.01 0.00 -0.36 0.00 0.00 55.97 56.40 2yry s LYS 24 Cb 0.02 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.66 2yry s LYS 24 CO 0.62 -0.10 -0.05 0.00 -0.36 0.00 0.00 175.35 175.46 2yry s ALA 25 N 0.50 0.36 0.00 3.13 0.00 -1.26 0.32 121.76 124.81 2yry s ALA 25 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2yry s ALA 25 Cb -0.05 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2yry s ALA 25 CO -0.03 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2yry n GLY 26 N 1.50 2.13 3.61 0.00 0.00 -0.61 -5.02 105.19 106.79 2yry n GLY 26 Ca -0.23 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2yry n GLY 26 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2yry s TRP 27 N -1.83 2.19 0.52 1.61 0.52 -1.26 -2.52 118.94 118.18 2yry s TRP 27 Ca 0.00 0.65 0.03 0.00 0.02 0.00 0.00 56.10 56.79 2yry s TRP 27 Cb 0.00 -4.11 0.00 0.00 -1.15 0.00 0.00 33.47 28.21 2yry s TRP 27 CO 0.00 -2.49 0.13 -0.51 0.02 0.00 0.00 176.95 174.09 2yry s LEU 28 N 5.59 2.43 -0.17 2.99 1.43 -0.97 -4.91 118.68 125.07 2yry s LEU 28 Ca 0.69 -1.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 2yry s LEU 28 Cb -0.20 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.15 2yry s LEU 28 CO 0.31 -0.92 -0.17 -0.36 0.23 0.00 0.00 176.35 175.43 2yry s PHE 29 N -2.84 2.79 -0.29 0.29 0.40 -1.08 -1.86 117.98 115.39 2yry s PHE 29 Ca 0.15 -1.35 -0.09 0.00 -0.60 0.00 0.00 56.93 55.04 2yry s PHE 29 Cb 0.00 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 2yry s PHE 29 CO 0.09 -0.66 0.14 0.21 0.70 0.00 0.00 175.22 175.69 2yry s LYS 30 N 1.14 3.52 0.36 0.44 2.20 -0.52 -1.53 119.74 125.34 2yry s LYS 30 Ca 0.01 -0.59 -0.28 0.00 -0.36 0.00 0.00 55.97 54.74 2yry s LYS 30 Cb -0.14 -3.51 -0.11 0.00 -1.51 0.00 0.00 37.83 32.56 2yry s LYS 30 CO -0.07 -0.32 1.40 -1.14 -0.36 0.00 0.00 175.35 174.87 2yry s GLN 31 N 1.64 4.22 0.62 4.03 0.74 -1.24 -0.30 119.66 129.37 2yry s GLN 31 Ca 0.05 2.40 -0.15 0.00 0.05 0.00 0.00 55.36 57.71 2yry s GLN 31 Cb -0.16 -3.01 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 2yry s GLN 31 CO 0.06 -0.37 1.08 0.00 -0.55 0.00 0.00 175.29 175.51 2yry s ALA 32 N -1.13 2.63 0.04 1.58 0.00 -0.27 -4.84 121.76 119.77 2yry s ALA 32 Ca 0.51 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.97 2yry s ALA 32 Cb -0.43 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 2yry s ALA 32 CO 0.58 -1.01 -0.11 -1.12 0.00 0.00 0.00 175.76 174.10 2yry s SER 33 N -2.70 1.26 -1.74 0.00 0.01 -1.26 -4.76 113.70 104.51 2yry s SER 33 Ca 0.65 -0.50 -0.19 0.00 1.31 0.00 0.00 55.95 57.22 2yry s SER 33 Cb -0.18 -0.03 0.17 0.00 0.21 0.00 0.00 66.02 66.19 2yry s SER 33 CO 0.39 -0.08 0.71 -1.20 0.41 0.00 0.00 173.24 173.47 2yry n SER 34 N 1.67 -2.76 0.00 2.44 7.64 -1.26 -4.78 113.62 116.56 2yry n SER 34 Ca -0.20 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.60 2yry n SER 34 Cb 0.55 -2.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.29 2yry n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yry n GLY 35 N -1.36 1.99 3.63 0.23 0.00 -1.26 -5.11 105.19 103.31 2yry n GLY 35 Ca 0.07 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 2yry n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yry n VAL 36 N 0.00 0.57 -1.80 1.61 0.31 -1.26 -4.83 118.33 112.93 2yry n VAL 36 Ca 0.00 -0.23 -0.20 0.00 -0.01 0.00 0.00 64.34 63.89 2yry n VAL 36 Cb 0.00 -2.26 -0.08 0.00 -0.91 0.00 0.00 33.84 30.59 2yry n VAL 36 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2yry s LYS 37 N 5.05 1.84 -0.02 5.55 -0.14 -1.26 -4.58 119.74 126.18 2yry s LYS 37 Ca 0.95 -0.45 -0.15 0.00 -1.36 0.00 0.00 55.97 54.96 2yry s LYS 37 Cb -0.49 -5.03 0.02 0.00 -1.68 0.00 0.00 37.83 30.65 2yry s LYS 37 CO 0.43 -4.55 0.31 1.14 -0.76 0.00 0.00 175.35 171.92 2yry s GLN 38 N 7.75 0.65 -0.14 1.68 -2.07 -1.26 -4.98 119.66 121.28 2yry s GLN 38 Ca 0.78 -0.13 -0.24 0.00 -1.82 0.00 0.00 55.36 53.95 2yry s GLN 38 Cb -0.06 0.29 -0.02 0.00 -1.09 0.00 0.00 33.01 32.13 2yry s GLN 38 CO 0.12 -0.17 0.75 -1.58 -1.32 0.00 0.00 175.29 173.09 2yry s TRP 39 N -1.19 3.46 -0.40 9.60 0.52 -1.26 -1.11 118.94 128.56 2yry s TRP 39 Ca -0.12 1.18 -0.14 0.00 0.02 0.00 0.00 56.10 57.04 2yry s TRP 39 Cb -0.05 -2.91 0.02 0.00 -1.15 0.00 0.00 33.47 29.39 2yry s TRP 39 CO 0.04 -0.13 0.27 -0.80 0.02 0.00 0.00 176.95 176.35 2yry s ASN 40 N 1.06 5.99 -0.04 2.95 0.02 0.59 -4.85 114.94 120.67 2yry s ASN 40 Ca 0.36 -0.92 -0.30 0.00 -1.02 0.00 0.00 52.86 50.98 2yry s ASN 40 Cb -0.17 -2.11 -0.04 0.00 0.02 0.00 0.00 41.25 38.95 2yry s ASN 40 CO 0.14 -0.42 1.26 -0.75 0.02 0.00 0.00 177.10 177.34 2yry s LYS 41 N 1.64 4.33 0.16 -0.60 2.20 -1.26 -1.44 119.74 124.77 2yry s LYS 41 Ca 0.04 1.76 -0.07 0.00 -0.36 0.00 0.00 55.97 57.34 2yry s LYS 41 Cb -0.19 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 2yry s LYS 41 CO 0.09 -0.48 0.22 1.03 -0.36 0.00 0.00 175.35 175.85 2yry s ARG 42 N 2.27 1.12 -0.32 4.03 1.81 -0.78 -4.99 118.95 122.09 2yry s ARG 42 Ca 0.58 -1.28 -0.27 0.00 -1.72 0.00 0.00 55.73 53.04 2yry s ARG 42 Cb -0.27 0.34 0.01 0.00 -0.45 0.00 0.00 34.95 34.59 2yry s ARG 42 CO 0.23 -0.39 0.98 -0.46 -0.68 0.00 0.00 175.30 174.99 2yry s TRP 43 N -4.00 3.16 -0.12 -0.53 -0.00 -1.11 -2.29 118.94 114.05 2yry s TRP 43 Ca 0.21 1.06 -0.06 0.00 -0.00 0.00 0.00 56.10 57.30 2yry s TRP 43 Cb 0.04 -3.55 -0.04 0.00 -0.00 0.00 0.00 33.47 29.92 2yry s TRP 43 CO 0.02 -0.71 0.11 -0.06 -0.00 0.00 0.00 176.95 176.31 2yry s PHE 44 N 3.44 3.51 -0.02 5.86 0.40 -1.05 -0.74 117.98 129.37 2yry s PHE 44 Ca 0.41 0.45 -0.00 0.00 -0.60 0.00 0.00 56.93 57.19 2yry s PHE 44 Cb -0.13 -1.93 0.03 0.00 0.51 0.00 0.00 43.02 41.50 2yry s PHE 44 CO 0.15 0.65 0.03 0.08 0.70 0.00 0.00 175.22 176.83 2yry s VAL 45 N -0.87 -0.06 -0.32 -0.44 1.01 0.17 -1.58 120.40 118.31 2yry s VAL 45 Ca 0.14 0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 2yry s VAL 45 Cb -0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 36.38 36.18 2yry s VAL 45 CO 0.03 0.10 0.16 -0.22 0.00 0.00 0.00 175.10 175.17 2yry s LEU 46 N 1.15 4.21 -0.06 3.92 2.96 0.15 0.41 118.68 131.42 2yry s LEU 46 Ca -0.08 -0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 53.18 2yry s LEU 46 Cb -0.13 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.59 2yry s LEU 46 CO -0.03 -0.23 0.14 -0.69 -1.32 0.00 0.00 176.35 174.22 2yry s VAL 47 N 1.60 -0.04 -1.09 1.68 1.01 -0.27 0.51 120.40 123.80 2yry s VAL 47 Ca 0.04 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2yry s VAL 47 Cb -0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 2yry s VAL 47 CO 0.06 0.06 0.93 -0.67 0.00 0.00 0.00 175.10 175.48 2yry n ASP 48 N 3.93 -3.67 -3.86 3.32 2.03 -1.26 -2.31 116.55 114.73 2yry n ASP 48 Ca -0.23 -0.62 -0.30 0.00 0.52 0.00 0.00 54.79 54.15 2yry n ASP 48 Cb 0.53 -4.96 -0.03 0.00 -0.72 0.00 0.00 41.12 35.94 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 -3.68 -2.60 -3.92 -0.67 1.74 -1.26 -4.91 116.66 101.36 2yry n ARG 49 Ca -0.20 0.30 -0.10 0.00 -0.77 0.00 0.00 57.85 57.08 2yry n ARG 49 Cb 0.64 -4.97 -0.10 0.00 -1.02 0.00 0.00 32.46 27.02 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 -1.41 4.28 -0.11 0.00 0.20 -1.15 -1.11 118.68 119.38 2yry s LEU 51 Ca -0.15 0.41 -0.01 0.00 0.69 0.00 0.00 54.13 55.07 2yry s LEU 51 Cb -0.09 -2.19 0.03 0.00 -0.43 0.00 0.00 46.19 43.51 2yry s LEU 51 CO 0.01 0.22 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.88 2yry s PHE 52 N -0.03 1.27 -0.27 5.38 0.08 0.16 -2.56 117.98 122.02 2yry s PHE 52 Ca 0.13 -0.62 -0.06 0.00 0.12 0.00 0.00 56.93 56.51 2yry s PHE 52 Cb -0.12 -1.12 0.01 0.00 -0.57 0.00 0.00 43.02 41.21 2yry s PHE 52 CO 0.02 -0.48 0.04 1.52 -0.10 0.00 0.00 175.22 176.22 2yry s TYR 53 N 1.78 3.11 0.40 0.36 1.13 -1.23 0.46 117.35 123.35 2yry s TYR 53 Ca 0.05 -1.02 0.08 0.00 -1.41 0.00 0.00 57.07 54.76 2yry s TYR 53 Cb -0.13 -2.20 -0.01 0.00 -1.10 0.00 0.00 41.96 38.52 2yry s TYR 53 CO -0.07 -0.58 0.43 0.71 -2.51 0.00 0.00 175.55 173.53 2yry s TYR 54 N 1.48 2.80 0.29 -3.49 2.02 0.08 -3.50 117.35 117.03 2yry s TYR 54 Ca 0.03 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 2yry s TYR 54 Cb -0.17 -2.17 0.45 0.00 -0.40 0.00 0.00 41.96 39.68 2yry s TYR 54 CO 0.01 -0.16 1.79 1.57 -1.57 0.00 0.00 175.55 177.19 2yry h LYS 55 N 0.93 0.61 0.00 -0.62 2.10 -1.86 -2.92 116.57 114.81 2yry h LYS 55 Ca -0.42 -0.17 -0.08 0.00 -2.00 0.00 0.00 60.65 57.98 2yry h LYS 55 Cb 1.27 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2yry h LYS 55 CO 0.53 0.69 0.13 -3.47 -2.00 0.00 0.00 179.45 175.33 2yry n ASP 56 N -4.21 -1.66 0.00 7.07 -0.08 -1.26 -4.52 116.55 111.89 2yry n ASP 56 Ca 0.01 -2.35 0.03 0.00 -1.51 0.00 0.00 54.79 50.97 2yry n ASP 56 Cb 0.31 2.82 0.13 0.00 2.34 0.00 0.00 41.12 46.72 2yry n ASP 56 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2yry n GLU 57 N -0.44 0.03 -0.14 -0.67 0.28 -1.26 -2.45 120.64 115.99 2yry n GLU 57 Ca -0.05 0.34 -0.09 0.00 -0.16 0.00 0.00 57.16 57.20 2yry n GLU 57 Cb 0.48 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.84 2yry n GLU 57 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2yry h LYS 58 N 0.00 0.63 -5.07 3.44 1.57 -1.98 -3.47 116.57 111.69 2yry h LYS 58 Ca 0.00 -0.11 -0.30 0.00 -1.87 0.00 0.00 60.65 58.37 2yry h LYS 58 Cb 0.09 -0.10 0.13 0.00 0.08 0.00 0.00 32.23 32.43 2yry h LYS 58 CO 0.00 0.58 -0.62 0.39 -0.57 0.00 0.00 179.45 179.23 2yry n GLU 59 N -4.63 -6.02 -0.05 3.15 1.02 -1.02 -4.94 120.64 108.14 2yry n GLU 59 Ca 0.00 0.71 -0.13 0.00 -0.02 0.00 0.00 57.16 57.72 2yry n GLU 59 Cb 0.14 -5.33 -0.08 0.00 -0.02 0.00 0.00 31.44 26.15 2yry n GLU 59 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2yry h GLU 60 N -1.87 0.31 -2.76 3.49 4.39 -1.91 -3.46 114.58 112.76 2yry h GLU 60 Ca -0.49 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 58.92 2yry h GLU 60 Cb 1.30 0.01 -0.23 0.00 -0.10 0.00 0.00 28.75 29.72 2yry h GLU 60 CO 0.44 0.72 -0.23 0.45 -1.16 0.00 0.00 179.01 179.23 2yry s SER 61 N -6.09 -0.40 -0.16 1.42 0.15 -1.26 -5.13 113.70 102.24 2yry s SER 61 Ca -0.14 0.71 -0.29 0.00 0.70 0.00 0.00 55.95 56.92 2yry s SER 61 Cb 0.05 0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 65.07 2yry s SER 61 CO 0.74 -0.21 1.50 -0.63 1.20 0.00 0.00 173.24 175.85 2yry s ILE 62 N -0.07 3.87 0.17 6.45 1.01 -1.26 -4.64 121.20 126.73 2yry s ILE 62 Ca -0.02 1.03 0.03 0.00 0.00 0.00 0.00 60.65 61.68 2yry s ILE 62 Cb -0.03 -3.75 -0.14 0.00 0.01 0.00 0.00 42.46 38.55 2yry s ILE 62 CO 0.01 -0.19 1.39 -0.07 0.00 0.00 0.00 174.94 176.09 2yry h LEU 63 N 10.57 0.25 -7.00 2.97 3.38 -1.95 -3.46 115.31 120.07 2yry h LEU 63 Ca -0.33 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 57.61 2yry h LEU 63 Cb 1.14 -0.08 -0.30 0.00 0.09 0.00 0.00 40.66 41.51 2yry h LEU 63 CO 0.98 0.99 0.60 -0.83 0.09 0.00 0.00 178.44 180.26 2yry s GLY 64 N -4.50 0.34 -0.10 0.83 0.00 -1.25 -5.09 107.32 97.54 2yry s GLY 64 Ca -0.03 3.50 -0.01 0.00 0.00 0.00 0.00 44.72 48.18 2yry s GLY 64 CO 0.82 2.62 -0.04 -0.56 0.00 0.00 0.00 173.10 175.94 2yry s SER 65 N 1.08 4.80 -0.16 1.64 0.01 -1.26 -3.54 113.70 116.27 2yry s SER 65 Ca -0.07 -0.03 -0.00 0.00 1.31 0.00 0.00 55.95 57.15 2yry s SER 65 Cb -0.03 -1.46 0.04 0.00 0.21 0.00 0.00 66.02 64.78 2yry s SER 65 CO -0.12 0.29 -0.06 -0.63 0.41 0.00 0.00 173.24 173.13 2yry s ILE 66 N -0.37 1.19 -0.06 1.44 1.01 -1.06 -5.04 121.20 118.30 2yry s ILE 66 Ca 0.06 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.77 2yry s ILE 66 Cb -0.12 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 2yry s ILE 66 CO 0.02 0.17 1.50 -2.16 0.00 0.00 0.00 174.94 174.47 2yry s PRO 67 N 1.61 4.22 -0.03 2.79 0.04 -1.26 -2.91 135.00 139.45 2yry s PRO 67 Ca 0.01 2.01 0.17 0.00 0.04 0.00 0.00 61.00 63.24 2yry s PRO 67 Cb -0.15 -3.81 -0.20 0.00 0.04 0.00 0.00 34.50 30.37 2yry s PRO 67 CO -0.08 -0.74 0.58 1.28 0.04 0.00 0.00 177.00 178.07 2yry n LEU 68 N 6.51 0.55 0.30 -3.56 4.77 -1.26 -4.11 117.00 120.20 2yry n LEU 68 Ca 0.15 0.25 0.08 0.00 -0.03 0.00 0.00 56.01 56.46 2yry n LEU 68 Cb 0.43 0.18 0.43 0.00 -2.33 0.00 0.00 43.42 42.14 2yry n LEU 68 CO 0.60 0.25 1.02 0.25 -1.33 0.00 0.00 177.39 178.17 2yry h LEU 69 N 0.00 0.00 -3.91 2.23 5.85 -1.70 0.61 115.31 118.39 2yry h LEU 69 Ca -0.26 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 57.93 2yry h LEU 69 Cb 1.74 0.00 -0.43 0.00 0.37 0.00 0.00 40.66 42.34 2yry h LEU 69 CO 0.04 0.00 -0.83 -1.54 -0.34 0.00 0.00 178.44 175.77 2yry n SER 70 N -2.57 4.74 -3.46 1.25 3.41 -1.26 -4.66 113.62 111.07 2yry n SER 70 Ca -0.01 -3.66 -0.15 0.00 -0.26 0.00 0.00 58.87 54.79 2yry n SER 70 Cb 0.60 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 2yry n SER 70 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2yry s PHE 71 N -3.60 1.20 -0.21 7.33 0.40 0.21 -4.54 117.98 118.77 2yry s PHE 71 Ca 0.49 -1.35 -0.02 0.00 -0.60 0.00 0.00 56.93 55.45 2yry s PHE 71 Cb 0.41 -0.29 0.06 0.00 0.51 0.00 0.00 43.02 43.71 2yry s PHE 71 CO 0.01 -0.99 0.03 1.03 0.70 0.00 0.00 175.22 176.01 2yry s ARG 72 N -3.38 0.74 0.18 0.44 0.52 -1.07 -4.37 118.95 112.01 2yry s ARG 72 Ca 0.34 -0.52 -0.11 0.00 -0.52 0.00 0.00 55.73 54.92 2yry s ARG 72 Cb 0.01 -2.14 -0.07 0.00 0.52 0.00 0.00 34.95 33.27 2yry s ARG 72 CO 0.20 -0.66 0.53 0.08 0.02 0.00 0.00 175.30 175.46 2yry s VAL 73 N 1.80 4.93 -0.16 3.52 1.01 -1.26 -2.27 120.40 127.97 2yry s VAL 73 Ca -0.01 0.57 -0.33 0.00 0.00 0.00 0.00 61.98 62.21 2yry s VAL 73 Cb -0.17 -3.66 0.14 0.00 0.00 0.00 0.00 36.38 32.68 2yry s VAL 73 CO -0.09 0.07 1.15 0.00 0.00 0.00 0.00 175.10 176.23 2yry s ALA 74 N -1.65 -2.02 0.48 5.51 0.00 -0.82 -4.80 121.76 118.45 2yry s ALA 74 Ca 0.42 1.52 -0.22 0.00 0.00 0.00 0.00 51.96 53.68 2yry s ALA 74 Cb -0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 23.12 22.76 2yry s ALA 74 CO 0.20 -0.57 1.16 0.00 0.00 0.00 0.00 175.76 176.55 2yry s ALA 75 N -2.35 2.92 1.38 0.00 0.00 -1.26 -1.26 121.76 121.18 2yry s ALA 75 Ca 0.08 0.91 -0.21 0.00 0.00 0.00 0.00 51.96 52.73 2yry s ALA 75 Cb -0.01 -3.38 0.35 0.00 0.00 0.00 0.00 23.12 20.08 2yry s ALA 75 CO -0.05 -0.67 0.83 1.33 0.00 0.00 0.00 175.76 177.20 2yry n VAL 76 N -0.64 0.00 -4.48 0.00 0.24 -0.67 -4.79 118.33 107.99 2yry n VAL 76 Ca 0.08 -0.11 -0.24 0.00 -2.04 0.00 0.00 64.34 62.03 2yry n VAL 76 Cb 0.49 -0.94 -0.10 0.00 -1.47 0.00 0.00 33.84 31.82 2yry n VAL 76 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2yry s GLN 77 N -4.76 1.69 0.26 7.34 -0.21 -1.26 -5.02 119.66 117.70 2yry s GLN 77 Ca 0.65 -1.79 0.24 0.00 0.02 0.00 0.00 55.36 54.48 2yry s GLN 77 Cb -0.14 -1.76 0.98 0.00 1.00 0.00 0.00 33.01 33.09 2yry s GLN 77 CO 0.57 0.31 1.71 -0.35 -2.12 0.00 0.00 175.29 175.41 2yry n PRO 78 N -0.64 0.19 -0.32 2.91 -0.04 -1.26 -2.02 135.00 133.83 2yry n PRO 78 Ca -0.05 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 2yry n PRO 78 Cb 0.60 -1.87 0.29 0.00 -0.04 0.00 0.00 33.50 32.48 2yry n PRO 78 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yry n SER 79 N -2.24 3.70 -4.60 3.54 3.41 -1.26 -4.96 113.62 111.21 2yry n SER 79 Ca 0.02 -1.99 -0.28 0.00 -0.26 0.00 0.00 58.87 56.36 2yry n SER 79 Cb 0.23 -0.42 0.12 0.00 -0.26 0.00 0.00 64.21 63.88 2yry n SER 79 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2yry s ASP 80 N -1.13 4.07 -0.28 4.04 1.11 -0.86 -4.98 116.67 118.64 2yry s ASP 80 Ca 0.45 0.32 0.12 0.00 0.18 0.00 0.00 52.55 53.62 2yry s ASP 80 Cb 0.24 -0.68 0.78 0.00 1.07 0.00 0.00 42.92 44.33 2yry s ASP 80 CO 0.32 -2.11 1.77 0.59 1.18 0.00 0.00 175.17 176.92 2yry n ASN 81 N -3.29 5.26 -4.78 0.27 3.02 -1.26 -4.93 115.26 109.55 2yry n ASN 81 Ca 0.12 -3.06 -0.36 0.00 -0.03 0.00 0.00 54.58 51.24 2yry n ASN 81 Cb 0.60 -0.72 -0.07 0.00 -0.61 0.00 0.00 39.78 38.99 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2yry s ILE 82 N -2.84 5.34 -0.23 2.41 -1.09 -1.26 -4.99 121.20 118.54 2yry s ILE 82 Ca 0.54 0.42 -0.04 0.00 -2.23 0.00 0.00 60.65 59.35 2yry s ILE 82 Cb 0.42 -3.55 -0.18 0.00 -1.58 0.00 0.00 42.46 37.57 2yry s ILE 82 CO 0.15 0.48 -0.11 -0.24 -1.23 0.00 0.00 174.94 173.99 2yry n SER 83 N 2.96 2.00 -4.71 3.58 2.88 -1.26 -4.94 113.62 114.14 2yry n SER 83 Ca -0.15 0.04 -0.43 0.00 -1.33 0.00 0.00 58.87 57.00 2yry n SER 83 Cb 0.53 -0.60 -0.03 0.00 -0.75 0.00 0.00 64.21 63.36 2yry n SER 83 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2yry n ARG 84 N -3.52 2.65 -1.84 -1.46 1.74 -1.26 -4.98 116.66 107.98 2yry n ARG 84 Ca -0.44 0.95 -0.30 0.00 -0.77 0.00 0.00 57.85 57.30 2yry n ARG 84 Cb 0.97 -2.79 0.05 0.00 -1.02 0.00 0.00 32.46 29.67 2yry n ARG 84 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2yry s LYS 85 N 1.22 2.78 -1.17 5.56 -0.14 -1.26 -4.29 119.74 122.44 2yry s LYS 85 Ca 0.76 0.49 -0.02 0.00 -1.36 0.00 0.00 55.97 55.84 2yry s LYS 85 Cb -0.54 -2.01 -0.02 0.00 -1.68 0.00 0.00 37.83 33.58 2yry s LYS 85 CO 0.34 -1.10 0.94 0.72 -0.76 0.00 0.00 175.35 175.49 2yry n HIS 86 N -3.05 -2.23 -4.39 3.18 8.25 -1.26 -4.40 115.22 111.31 2yry n HIS 86 Ca 0.07 0.89 -0.25 0.00 -0.26 0.00 0.00 57.72 58.17 2yry n HIS 86 Cb 0.57 -4.69 -0.10 0.00 1.12 0.00 0.00 29.99 26.89 2yry n HIS 86 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2yry s THR 87 N -3.40 2.75 -0.06 1.59 2.01 -1.26 -1.31 115.64 115.96 2yry s THR 87 Ca 0.15 -2.04 -0.12 0.00 0.31 0.00 0.00 61.69 59.99 2yry s THR 87 Cb -0.02 -2.39 0.02 0.00 0.01 0.00 0.00 72.50 70.12 2yry s THR 87 CO 0.75 -0.24 0.29 0.72 -0.69 0.00 0.00 174.62 175.45 2yry s PHE 88 N -2.03 -0.23 0.19 4.92 -0.71 0.47 -1.68 117.98 118.90 2yry s PHE 88 Ca 0.26 0.48 0.10 0.00 -1.04 0.00 0.00 56.93 56.74 2yry s PHE 88 Cb -0.07 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 2yry s PHE 88 CO 0.14 -0.27 -0.21 -1.59 -1.34 0.00 0.00 175.22 171.95 2yry s LYS 89 N -0.63 1.40 -0.11 1.99 0.00 -0.39 0.12 119.74 122.12 2yry s LYS 89 Ca -0.07 -1.48 -0.01 0.00 0.00 0.00 0.00 55.97 54.41 2yry s LYS 89 Cb -0.04 -1.57 0.03 0.00 0.00 0.00 0.00 37.83 36.25 2yry s LYS 89 CO 0.02 0.33 -0.05 0.00 0.00 0.00 0.00 175.35 175.65 2yry s ALA 90 N -1.94 1.16 -0.01 0.59 0.00 0.13 -1.95 121.76 119.75 2yry s ALA 90 Ca 0.19 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2yry s ALA 90 Cb -0.07 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.16 2yry s ALA 90 CO 0.09 -0.49 -0.01 -1.83 0.00 0.00 0.00 175.76 173.52 2yry s GLU 91 N 1.78 0.14 0.00 0.00 -1.05 -0.96 0.38 118.70 118.99 2yry s GLU 91 Ca 0.04 -0.03 0.28 0.00 -0.15 0.00 0.00 54.97 55.12 2yry s GLU 91 Cb -0.13 -0.18 1.21 0.00 -0.44 0.00 0.00 34.13 34.59 2yry s GLU 91 CO -0.07 0.00 1.83 1.58 0.95 0.00 0.00 175.26 179.55 2yry n HIS 92 N 3.25 0.01 -3.16 4.83 -0.00 -1.20 -2.61 115.22 116.34 2yry n HIS 92 Ca -0.15 -0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.42 2yry n HIS 92 Cb 0.58 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.64 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 -0.06 -2.03 0.00 1.57 0.00 -1.26 -4.72 120.51 114.01 2yry n ALA 93 Ca 0.20 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2yry n ALA 93 Cb 0.30 -3.72 0.00 0.00 0.00 0.00 0.00 19.45 16.04 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 -1.19 0.04 0.70 0.00 0.00 -1.26 -5.02 105.19 98.46 2yry n GLY 94 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 2yry n GLY 94 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yry n VAL 95 N 0.00 1.05 -4.00 1.61 0.24 -1.26 -5.15 118.33 110.83 2yry n VAL 95 Ca 0.00 0.15 0.03 0.00 -2.04 0.00 0.00 64.34 62.48 2yry n VAL 95 Cb 0.00 -1.78 0.01 0.00 -1.47 0.00 0.00 33.84 30.60 2yry n VAL 95 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2yry n ARG 96 N -3.70 0.12 -3.69 7.34 0.00 -1.26 -5.06 116.66 110.40 2yry n ARG 96 Ca -0.10 -0.61 -0.29 0.00 -0.00 0.00 0.00 57.85 56.85 2yry n ARG 96 Cb 0.35 1.04 -0.15 0.00 -0.00 0.00 0.00 32.46 33.69 2yry n ARG 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2yry s THR 97 N -2.03 0.57 0.57 8.89 2.01 -1.26 -3.25 115.64 121.14 2yry s THR 97 Ca 0.26 -1.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.10 2yry s THR 97 Cb -0.01 -1.33 -0.06 0.00 0.01 0.00 0.00 72.50 71.11 2yry s THR 97 CO -0.01 -0.55 1.01 -0.31 -0.69 0.00 0.00 174.62 174.07 2yry s TYR 98 N 1.79 3.41 0.09 4.92 2.02 0.16 -4.81 117.35 124.93 2yry s TYR 98 Ca 0.06 1.42 0.07 0.00 -0.37 0.00 0.00 57.07 58.25 2yry s TYR 98 Cb -0.17 -2.81 -0.03 0.00 -0.40 0.00 0.00 41.96 38.55 2yry s TYR 98 CO -0.23 -0.61 -0.17 -0.06 -1.57 0.00 0.00 175.55 172.90 2yry s PHE 99 N -2.78 1.50 -0.20 2.71 0.08 -1.26 0.18 117.98 118.21 2yry s PHE 99 Ca 0.58 -0.44 -0.07 0.00 0.12 0.00 0.00 56.93 57.12 2yry s PHE 99 Cb -0.11 -0.83 0.09 0.00 -0.57 0.00 0.00 43.02 41.60 2yry s PHE 99 CO 0.40 0.13 0.44 -0.06 -0.10 0.00 0.00 175.22 176.03 2yry s PHE 100 N -1.25 -0.83 0.07 0.36 0.08 0.12 -3.66 117.98 112.87 2yry s PHE 100 Ca 0.03 1.57 0.02 0.00 0.12 0.00 0.00 56.93 58.67 2yry s PHE 100 Cb -0.10 0.34 -0.04 0.00 -0.57 0.00 0.00 43.02 42.66 2yry s PHE 100 CO 0.03 -0.48 0.12 0.45 -0.10 0.00 0.00 175.22 175.24 2yry s SER 101 N 2.52 5.80 0.03 1.36 0.15 -0.58 -0.40 113.70 122.58 2yry s SER 101 Ca -0.03 0.09 0.08 0.00 0.70 0.00 0.00 55.95 56.79 2yry s SER 101 Cb -0.12 -1.65 -0.02 0.00 -1.71 0.00 0.00 66.02 62.52 2yry s SER 101 CO -0.13 0.18 -0.24 0.00 1.20 0.00 0.00 173.24 174.25 2yry s ALA 102 N -1.41 2.02 0.25 5.45 0.00 -0.43 -2.62 121.76 125.02 2yry s ALA 102 Ca 0.31 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 2yry s ALA 102 Cb -0.12 -0.44 0.32 0.00 0.00 0.00 0.00 23.12 22.87 2yry s ALA 102 CO 0.23 0.48 1.71 0.93 0.00 0.00 0.00 175.76 179.11 2yry h GLU 103 N 5.02 0.70 -6.01 0.00 5.08 -1.88 -3.43 114.58 114.04 2yry h GLU 103 Ca -0.44 -0.23 -0.53 0.00 -1.00 0.00 0.00 59.36 57.16 2yry h GLU 103 Cb 1.14 -0.06 -0.20 0.00 0.50 0.00 0.00 28.75 30.13 2yry h GLU 103 CO 0.45 0.80 -0.81 -1.12 -1.00 0.00 0.00 179.01 177.33 2yry s SER 104 N -6.73 2.52 0.48 1.42 0.01 -1.26 -5.03 113.70 105.11 2yry s SER 104 Ca -0.09 -0.75 0.31 0.00 1.31 0.00 0.00 55.95 56.74 2yry s SER 104 Cb 0.14 -0.14 1.30 0.00 0.21 0.00 0.00 66.02 67.53 2yry s SER 104 CO 0.81 0.01 1.92 1.55 0.41 0.00 0.00 173.24 177.95 2yry h PRO 105 N 3.78 0.00 0.00 12.44 0.13 -1.91 -2.48 132.00 143.96 2yry h PRO 105 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2yry h PRO 105 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2yry h PRO 105 CO 0.44 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.14 2yry h GLU 106 N 0.00 0.00 0.07 0.86 5.08 -1.98 -3.16 114.58 115.46 2yry h GLU 106 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2yry h GLU 106 Cb 0.45 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 2yry h GLU 106 CO 0.00 0.00 -2.11 0.39 -1.00 0.00 0.00 179.01 176.29 2yry n GLU 107 N -2.55 0.71 0.28 2.33 -0.58 -0.95 -3.60 120.64 116.28 2yry n GLU 107 Ca 0.04 0.25 -0.17 0.00 -0.42 0.00 0.00 57.16 56.87 2yry n GLU 107 Cb 0.42 -1.65 -0.08 0.00 -0.57 0.00 0.00 31.44 29.56 2yry n GLU 107 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 2yry h GLN 108 N -0.08 -0.83 -0.18 3.49 4.15 -1.59 0.82 115.11 120.89 2yry h GLN 108 Ca -0.48 0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.02 2yry h GLN 108 Cb 1.92 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 29.77 2yry h GLN 108 CO -0.01 -0.55 0.02 1.05 -1.93 0.00 0.00 178.83 177.41 2yry h GLU 109 N -0.86 0.09 -0.40 1.69 4.11 -1.77 -1.72 114.58 115.73 2yry h GLU 109 Ca -0.05 -0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.45 2yry h GLU 109 Cb 0.74 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 2yry h GLU 109 CO -0.01 0.06 -0.00 0.00 0.07 0.00 0.00 179.01 179.13 2yry h ALA 110 N 1.14 0.36 -0.18 1.06 0.00 -1.58 -1.94 119.26 118.11 2yry h ALA 110 Ca 0.08 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2yry h ALA 110 Cb 0.09 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2yry h ALA 110 CO -0.12 -0.39 -0.01 -1.49 0.00 0.00 0.00 179.25 177.24 2yry h TRP 111 N 0.10 -0.03 -0.84 0.00 4.06 -0.49 -2.27 115.95 116.49 2yry h TRP 111 Ca 0.19 0.01 0.15 0.00 2.06 0.00 0.00 58.89 61.31 2yry h TRP 111 Cb 0.27 0.04 -0.10 0.00 -1.00 0.00 0.00 29.16 28.38 2yry h TRP 111 CO -0.27 -0.04 0.41 0.82 -3.56 0.00 0.00 178.44 175.81 2yry h ILE 112 N 0.04 0.71 -0.82 1.49 2.04 -0.73 0.28 117.51 120.52 2yry h ILE 112 Ca 0.09 -0.20 0.17 0.00 1.00 0.00 0.00 64.86 65.92 2yry h ILE 112 Cb 0.11 0.07 -0.11 0.00 -0.74 0.00 0.00 36.82 36.15 2yry h ILE 112 CO -0.15 0.11 0.34 1.56 0.00 0.00 0.00 178.15 180.00 2yry h GLN 113 N 0.58 0.42 0.00 2.37 4.20 -0.76 1.32 115.11 123.25 2yry h GLN 113 Ca 0.46 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.12 2yry h GLN 113 Cb 0.67 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2yry h GLN 113 CO -0.38 0.28 -0.21 0.00 -0.67 0.00 0.00 178.83 177.86 2yry h ALA 114 N 1.61 0.03 0.86 3.87 0.00 -1.07 -3.20 119.26 121.37 2yry h ALA 114 Ca 0.47 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2yry h ALA 114 Cb 0.79 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2yry h ALA 114 CO -0.45 0.14 -0.49 0.52 0.00 0.00 0.00 179.25 178.96 2yry h MET 115 N -1.00 -1.21 -0.53 0.00 2.86 -0.32 0.25 114.93 114.98 2yry h MET 115 Ca -0.04 0.08 0.09 0.00 -2.06 0.00 0.00 59.70 57.77 2yry h MET 115 Cb 0.63 0.27 -0.10 0.00 0.06 0.00 0.00 31.60 32.46 2yry h MET 115 CO -0.03 -0.80 -0.41 0.78 1.06 0.00 0.00 176.91 177.51 2yry h GLY 116 N -1.25 -0.40 0.98 8.32 0.00 0.15 0.57 103.07 111.44 2yry h GLY 116 Ca -0.12 0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 2yry h GLY 116 CO 0.14 -0.18 0.27 0.83 0.00 0.00 0.00 176.54 177.60 2yry h GLU 117 N -0.24 0.63 0.00 4.80 4.39 -1.53 0.17 114.58 122.80 2yry h GLU 117 Ca 0.18 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2yry h GLU 117 Cb 0.56 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2yry h GLU 117 CO -0.65 0.48 0.00 0.00 -1.16 0.00 0.00 179.01 177.68 2yry n ALA 118 N -2.26 1.47 0.68 3.43 0.00 0.88 -1.49 120.51 123.21 2yry n ALA 118 Ca 0.01 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.62 2yry n ALA 118 Cb 0.07 -1.32 0.03 0.00 0.00 0.00 0.00 19.45 18.23 2yry n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yry n ALA 119 N -1.71 2.83 -0.67 0.00 0.00 0.19 -3.07 120.51 118.07 2yry n ALA 119 Ca 0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 53.44 52.81 2yry n ALA 119 Cb 0.16 -0.54 0.12 0.00 0.00 0.00 0.00 19.45 19.19 2yry n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2yry n ARG 120 N 0.34 -2.72 0.00 0.00 5.12 -0.07 -3.84 116.66 115.50 2yry n ARG 120 Ca 0.08 -0.60 0.00 0.00 -1.93 0.00 0.00 57.85 55.40 2yry n ARG 120 Cb 0.36 -0.84 0.00 0.00 -1.16 0.00 0.00 32.46 30.82 2yry n ARG 120 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2yry n VAL 121 N -4.11 0.09 0.45 1.55 0.31 -1.26 -4.72 118.33 110.64 2yry n VAL 121 Ca 0.06 -0.22 0.04 0.00 -0.01 0.00 0.00 64.34 64.21 2yry n VAL 121 Cb 0.25 1.43 0.21 0.00 -0.91 0.00 0.00 33.84 34.82 2yry n VAL 121 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18