#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 4.75 -0.23 1.61 1.04 -1.26 -5.06 113.70 114.56 2yry s SER 2 Ca 0.00 -0.62 -0.12 0.00 0.48 0.00 0.00 55.95 55.69 2yry s SER 2 Cb 0.00 -0.90 -0.18 0.00 0.10 0.00 0.00 66.02 65.04 2yry s SER 2 CO 0.00 -0.10 -0.03 -1.20 0.98 0.00 0.00 173.24 172.89 2yry n SER 3 N -1.02 1.97 0.00 7.02 7.64 -1.26 -5.11 113.62 122.85 2yry n SER 3 Ca -0.06 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2yry n SER 3 Cb 0.59 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2yry n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yry n GLY 4 N 1.63 3.11 3.26 0.23 0.00 -1.26 -5.15 105.19 107.02 2yry n GLY 4 Ca -0.42 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 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 0.00 2.28 -0.20 1.61 0.01 -1.26 -5.14 113.70 111.01 2yry s SER 5 Ca 0.00 -0.71 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 2yry s SER 5 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2yry s SER 5 CO 0.00 -0.01 -0.11 -0.44 0.41 0.00 0.00 173.24 173.09 2yry s SER 6 N -2.04 3.84 0.00 2.44 0.01 -1.26 -5.10 113.70 111.59 2yry s SER 6 Ca 0.06 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2yry s SER 6 Cb -0.09 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.51 2yry s SER 6 CO 0.04 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2yry n GLY 7 N 4.70 -0.98 3.02 3.44 0.00 -1.26 -5.03 105.19 109.08 2yry n GLY 7 Ca -0.19 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 2yry n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yry s GLY 8 N 0.00 0.67 0.31 -0.02 0.00 -1.26 -5.14 107.32 101.87 2yry s GLY 8 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.36 2yry s GLY 8 CO 0.00 -0.01 0.13 0.54 0.00 0.00 0.00 173.10 173.76 2yry s LYS 9 N 0.38 1.60 -0.01 2.90 -0.14 -1.26 -5.07 119.74 118.14 2yry s LYS 9 Ca -0.08 -1.91 0.02 0.00 -1.36 0.00 0.00 55.97 52.64 2yry s LYS 9 Cb -0.12 -0.26 -0.03 0.00 -1.68 0.00 0.00 37.83 35.74 2yry s LYS 9 CO 0.02 -0.40 0.03 2.89 -0.76 0.00 0.00 175.35 177.13 2yry n ARG 10 N -0.60 1.58 -2.67 1.68 1.85 -1.26 -4.99 116.66 112.25 2yry n ARG 10 Ca -0.00 -0.01 -0.43 0.00 -1.00 0.00 0.00 57.85 56.41 2yry n ARG 10 Cb 0.65 -1.05 -0.02 0.00 -1.05 0.00 0.00 32.46 31.00 2yry n ARG 10 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2yry s SER 11 N -2.64 7.10 0.26 2.89 0.01 -1.26 -5.03 113.70 115.03 2yry s SER 11 Ca -0.01 1.38 -0.07 0.00 1.31 0.00 0.00 55.95 58.57 2yry s SER 11 Cb 0.01 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 2yry s SER 11 CO 0.08 -0.65 0.54 -1.38 0.41 0.00 0.00 173.24 172.23 2yry s HIS 12 N 3.13 3.46 -0.23 2.43 -3.43 -1.26 -5.10 115.29 114.28 2yry s HIS 12 Ca 0.44 0.72 -0.19 0.00 -0.80 0.00 0.00 55.06 55.23 2yry s HIS 12 Cb -0.15 -2.16 0.06 0.00 -1.43 0.00 0.00 32.58 28.91 2yry s HIS 12 CO 0.07 0.22 0.60 0.45 -2.00 0.00 0.00 174.74 174.08 2yry s SER 13 N -2.81 -0.68 -0.24 7.38 0.15 -1.26 -5.12 113.70 111.12 2yry s SER 13 Ca 0.45 1.24 -0.38 0.00 0.70 0.00 0.00 55.95 57.96 2yry s SER 13 Cb -0.11 1.22 -0.14 0.00 -1.71 0.00 0.00 66.02 65.28 2yry s SER 13 CO 0.26 -0.21 1.83 0.23 1.20 0.00 0.00 173.24 176.55 2yry n MET 14 N 3.18 1.39 -4.40 5.44 2.81 -1.26 -4.95 117.12 119.33 2yry n MET 14 Ca -0.16 0.50 -0.20 0.00 -1.81 0.00 0.00 57.70 56.03 2yry n MET 14 Cb 0.56 -2.27 -0.10 0.00 -0.71 0.00 0.00 33.22 30.70 2yry n MET 14 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2yry s LYS 15 N 3.98 1.52 0.00 0.03 -2.85 -1.26 -4.92 119.74 116.24 2yry s LYS 15 Ca 0.98 -1.80 0.05 0.00 -1.00 0.00 0.00 55.97 54.21 2yry s LYS 15 Cb -0.96 -0.87 -0.02 0.00 -2.06 0.00 0.00 37.83 33.93 2yry s LYS 15 CO 0.61 -0.09 -0.16 0.50 0.10 0.00 0.00 175.35 176.31 2yry s ARG 16 N -3.83 1.20 -0.04 1.78 3.52 -1.26 -5.12 118.95 115.19 2yry s ARG 16 Ca 0.32 -0.63 -0.08 0.00 -0.13 0.00 0.00 55.73 55.20 2yry s ARG 16 Cb 0.06 -1.18 -0.05 0.00 -1.56 0.00 0.00 34.95 32.22 2yry s ARG 16 CO 0.12 0.32 0.24 -0.80 -0.81 0.00 0.00 175.30 174.37 2yry s ASN 17 N -0.60 6.51 0.17 -2.12 0.01 -1.26 -5.01 114.94 112.64 2yry s ASN 17 Ca 0.05 0.60 -0.07 0.00 -0.71 0.00 0.00 52.86 52.73 2yry s ASN 17 Cb -0.07 -2.11 0.05 0.00 0.41 0.00 0.00 41.25 39.54 2yry s ASN 17 CO 0.00 0.33 1.52 1.55 -1.51 0.00 0.00 177.10 178.99 2yry h PRO 18 N 4.51 0.80 -0.83 -0.60 0.13 -2.01 -3.16 132.00 130.84 2yry h PRO 18 Ca -0.52 -0.42 0.01 0.00 -0.87 0.00 0.00 66.00 64.20 2yry h PRO 18 Cb 1.21 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2yry h PRO 18 CO 0.62 1.05 0.55 -0.91 -0.23 0.00 0.00 178.00 179.08 2yry h ASN 19 N 0.65 0.96 -1.76 1.44 -0.26 -2.05 -3.43 115.58 111.12 2yry h ASN 19 Ca 0.05 -0.02 -0.67 0.00 -0.56 0.00 0.00 56.30 55.10 2yry h ASN 19 Cb 0.96 -0.24 0.05 0.00 -1.06 0.00 0.00 38.32 38.03 2yry h ASN 19 CO 0.09 0.69 0.54 0.00 -1.06 0.00 0.00 177.43 177.69 2yry n ALA 20 N -2.33 -0.57 -2.17 -0.83 0.00 -1.20 -4.88 120.51 108.53 2yry n ALA 20 Ca 0.09 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.60 2yry n ALA 20 Cb 0.02 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.31 2yry n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2yry s PRO 21 N 0.79 4.35 -0.11 0.00 0.04 -1.26 -4.95 135.00 133.85 2yry s PRO 21 Ca 0.85 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.63 2yry s PRO 21 Cb -0.92 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 30.32 2yry s PRO 21 CO 0.47 -0.38 1.74 0.08 0.04 0.00 0.00 177.00 178.94 2yry s VAL 22 N 0.91 3.49 0.04 -0.36 1.01 -1.26 -4.61 120.40 119.62 2yry s VAL 22 Ca 0.62 0.57 -0.25 0.00 0.00 0.00 0.00 61.98 62.92 2yry s VAL 22 Cb -0.36 -3.44 -0.17 0.00 0.00 0.00 0.00 36.38 32.41 2yry s VAL 22 CO 0.32 -0.13 1.47 0.74 0.00 0.00 0.00 175.10 177.50 2yry h THR 23 N 5.92 0.92 -2.28 3.92 2.02 0.03 -3.46 112.91 119.99 2yry h THR 23 Ca -0.39 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.29 2yry h THR 23 Cb 1.18 1.19 -0.22 0.00 -1.74 0.00 0.00 68.15 68.56 2yry h THR 23 CO 0.97 0.10 -0.01 -0.75 0.37 0.00 0.00 175.52 176.20 2yry s LYS 24 N -5.29 0.70 -0.00 6.66 2.20 -1.14 -4.99 119.74 117.88 2yry s LYS 24 Ca -0.15 0.85 0.03 0.00 -0.36 0.00 0.00 55.97 56.35 2yry s LYS 24 Cb 0.04 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.68 2yry s LYS 24 CO 0.63 -0.09 -0.11 0.00 -0.36 0.00 0.00 175.35 175.42 2yry s ALA 25 N 0.38 0.87 -0.28 3.13 0.00 -1.26 -0.06 121.76 124.54 2yry s ALA 25 Ca -0.00 -0.48 -0.27 0.00 0.00 0.00 0.00 51.96 51.21 2yry s ALA 25 Cb -0.04 -0.21 0.18 0.00 0.00 0.00 0.00 23.12 23.05 2yry s ALA 25 CO 0.00 0.21 1.35 0.20 0.00 0.00 0.00 175.76 177.52 2yry s GLY 26 N -0.34 0.19 -0.45 0.00 0.00 -0.85 -5.04 107.32 100.84 2yry s GLY 26 Ca 0.03 3.15 -0.28 0.00 0.00 0.00 0.00 44.72 47.63 2yry s GLY 26 CO -0.00 1.63 1.57 -0.98 0.00 0.00 0.00 173.10 175.32 2yry s TRP 27 N -0.33 2.12 0.50 1.90 0.52 -1.26 -2.59 118.94 119.79 2yry s TRP 27 Ca 0.07 0.63 0.05 0.00 0.02 0.00 0.00 56.10 56.87 2yry s TRP 27 Cb -0.04 -4.25 0.01 0.00 -1.15 0.00 0.00 33.47 28.04 2yry s TRP 27 CO -0.11 -2.28 0.28 -0.51 0.02 0.00 0.00 176.95 174.34 2yry s LEU 28 N 6.45 2.77 -0.24 2.99 1.43 -1.07 -4.92 118.68 126.08 2yry s LEU 28 Ca 0.65 -1.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2yry s LEU 28 Cb -0.15 -1.22 0.03 0.00 0.03 0.00 0.00 46.19 44.88 2yry s LEU 28 CO 0.30 -0.90 -0.09 -0.36 0.23 0.00 0.00 176.35 175.52 2yry s PHE 29 N -2.73 3.07 -0.16 0.29 0.40 -1.20 -1.64 117.98 116.00 2yry s PHE 29 Ca 0.32 -1.76 -0.19 0.00 -0.60 0.00 0.00 56.93 54.70 2yry s PHE 29 Cb -0.00 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 2yry s PHE 29 CO 0.19 -0.78 0.53 0.21 0.70 0.00 0.00 175.22 176.07 2yry s LYS 30 N 1.27 4.27 0.24 0.44 2.20 -1.17 -2.17 119.74 124.82 2yry s LYS 30 Ca -0.01 0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 55.79 2yry s LYS 30 Cb -0.17 -3.51 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 2yry s LYS 30 CO -0.06 -0.03 1.12 -1.14 -0.36 0.00 0.00 175.35 174.88 2yry s GLN 31 N 1.24 4.60 -0.25 4.03 0.74 -1.24 -0.84 119.66 127.94 2yry s GLN 31 Ca 0.26 1.80 -0.29 0.00 0.05 0.00 0.00 55.36 57.19 2yry s GLN 31 Cb -0.16 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.74 2yry s GLN 31 CO 0.11 0.13 1.14 0.00 -0.55 0.00 0.00 175.29 176.12 2yry s ALA 32 N -0.78 3.58 -0.25 1.58 0.00 0.75 -4.84 121.76 121.80 2yry s ALA 32 Ca 0.47 0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.50 2yry s ALA 32 Cb -0.32 -3.63 -0.16 0.00 0.00 0.00 0.00 23.12 19.01 2yry s ALA 32 CO 0.39 -1.31 -0.17 -1.13 0.00 0.00 0.00 175.76 173.55 2yry n SER 33 N 6.73 1.97 -4.48 0.00 3.41 -1.26 -4.46 113.62 115.53 2yry n SER 33 Ca 0.13 0.20 -0.43 0.00 -0.26 0.00 0.00 58.87 58.51 2yry n SER 33 Cb 0.46 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 2yry n SER 33 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yry s SER 34 N -7.09 6.74 0.00 4.04 0.15 -1.26 -4.86 113.70 111.42 2yry s SER 34 Ca -0.35 -2.23 0.00 0.00 0.70 0.00 0.00 55.95 54.07 2yry s SER 34 Cb 0.11 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2yry s SER 34 CO 0.56 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 174.56 2yry n GLY 35 N 5.33 0.57 3.16 9.45 0.00 -1.26 -5.09 105.19 117.34 2yry n GLY 35 Ca 0.30 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 2yry n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yry n VAL 36 N 3.05 0.00 -3.54 1.61 0.24 -1.26 -4.92 118.33 113.51 2yry n VAL 36 Ca 0.00 -0.18 -0.41 0.00 -2.04 0.00 0.00 64.34 61.71 2yry n VAL 36 Cb 0.00 -0.40 -0.07 0.00 -1.47 0.00 0.00 33.84 31.89 2yry n VAL 36 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2yry s LYS 37 N -2.99 2.71 0.37 7.34 1.02 -1.26 -4.61 119.74 122.31 2yry s LYS 37 Ca 0.47 -2.04 -0.07 0.00 0.02 0.00 0.00 55.97 54.35 2yry s LYS 37 Cb -0.04 -3.99 0.03 0.00 -0.52 0.00 0.00 37.83 33.31 2yry s LYS 37 CO 0.61 -1.21 0.60 0.00 -0.92 0.00 0.00 175.35 174.43 2yry n GLN 38 N 4.46 0.86 -4.94 1.68 10.64 -1.26 -5.00 117.38 123.82 2yry n GLN 38 Ca -0.01 -2.59 -0.33 0.00 -1.83 0.00 0.00 57.00 52.25 2yry n GLN 38 Cb 0.41 2.72 -0.14 0.00 -0.86 0.00 0.00 30.24 32.38 2yry n GLN 38 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2yry s TRP 39 N -2.68 2.66 -0.42 2.61 0.52 -1.26 -0.18 118.94 120.19 2yry s TRP 39 Ca 0.24 -0.28 0.04 0.00 0.02 0.00 0.00 56.10 56.12 2yry s TRP 39 Cb -0.02 -1.64 0.11 0.00 -1.15 0.00 0.00 33.47 30.77 2yry s TRP 39 CO 0.18 0.09 0.14 -0.80 0.02 0.00 0.00 176.95 176.58 2yry s ASN 40 N -0.55 4.55 -0.00 2.95 0.01 -0.02 -4.94 114.94 116.93 2yry s ASN 40 Ca 0.08 -2.53 -0.34 0.00 -0.71 0.00 0.00 52.86 49.35 2yry s ASN 40 Cb -0.11 -1.61 -0.13 0.00 0.41 0.00 0.00 41.25 39.81 2yry s ASN 40 CO 0.01 -0.31 1.76 1.17 -1.51 0.00 0.00 177.10 178.22 2yry n LYS 41 N 3.75 2.14 -3.89 -0.60 4.81 -1.26 -3.05 118.16 120.06 2yry n LYS 41 Ca 0.04 0.78 -0.09 0.00 -0.87 0.00 0.00 58.31 58.17 2yry n LYS 41 Cb 0.38 -2.59 -0.09 0.00 0.02 0.00 0.00 35.03 32.75 2yry n LYS 41 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2yry s ARG 42 N 2.90 0.68 -0.27 1.64 1.81 -0.65 -4.96 118.95 120.10 2yry s ARG 42 Ca 0.88 -0.79 -0.29 0.00 -1.72 0.00 0.00 55.73 53.81 2yry s ARG 42 Cb -0.70 0.27 -0.01 0.00 -0.45 0.00 0.00 34.95 34.07 2yry s ARG 42 CO 0.47 -0.19 1.41 -0.46 -0.68 0.00 0.00 175.30 175.85 2yry s TRP 43 N -2.97 2.49 -0.12 -0.53 -0.11 -1.01 -2.59 118.94 114.11 2yry s TRP 43 Ca -0.02 0.76 -0.07 0.00 1.22 0.00 0.00 56.10 57.99 2yry s TRP 43 Cb 0.01 -3.92 -0.04 0.00 -1.50 0.00 0.00 33.47 28.02 2yry s TRP 43 CO -0.06 -2.14 0.13 -0.06 -4.62 0.00 0.00 176.95 170.20 2yry s PHE 44 N 4.62 3.57 -0.02 5.86 0.40 -1.07 -0.38 117.98 130.95 2yry s PHE 44 Ca 0.61 0.50 -0.00 0.00 -0.60 0.00 0.00 56.93 57.44 2yry s PHE 44 Cb -0.20 -1.93 0.03 0.00 0.51 0.00 0.00 43.02 41.43 2yry s PHE 44 CO 0.25 0.72 0.04 0.08 0.70 0.00 0.00 175.22 177.01 2yry s VAL 45 N -1.01 -0.05 -0.34 -0.44 1.01 0.99 -2.00 120.40 118.56 2yry s VAL 45 Ca 0.15 0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 2yry s VAL 45 Cb -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.17 2yry s VAL 45 CO 0.04 0.08 0.19 -0.22 0.00 0.00 0.00 175.10 175.18 2yry s LEU 46 N 0.96 4.39 -0.02 3.92 2.96 0.92 0.09 118.68 131.90 2yry s LEU 46 Ca -0.08 -0.66 -0.01 0.00 -0.22 0.00 0.00 54.13 53.16 2yry s LEU 46 Cb -0.11 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.56 2yry s LEU 46 CO -0.03 -0.27 0.05 -0.69 -1.32 0.00 0.00 176.35 174.09 2yry s VAL 47 N 1.61 -0.03 -1.19 1.68 1.01 0.17 0.81 120.40 124.47 2yry s VAL 47 Ca 0.04 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 2yry s VAL 47 Cb -0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 2yry s VAL 47 CO 0.07 0.04 0.82 -0.67 0.00 0.00 0.00 175.10 175.36 2yry n ASP 48 N 3.57 -3.65 -2.12 3.32 2.03 -1.26 -1.16 116.55 117.27 2yry n ASP 48 Ca -0.19 -0.81 -0.06 0.00 0.52 0.00 0.00 54.79 54.25 2yry n ASP 48 Cb 0.56 -4.37 -0.01 0.00 -0.72 0.00 0.00 41.12 36.57 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 -3.95 -2.22 -4.18 -0.67 1.74 -1.26 -4.89 116.66 101.23 2yry n ARG 49 Ca -0.19 0.31 -0.17 0.00 -0.77 0.00 0.00 57.85 57.02 2yry n ARG 49 Cb 0.64 -4.74 -0.12 0.00 -1.02 0.00 0.00 32.46 27.22 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 -1.57 4.27 -0.08 0.00 0.20 -1.08 -0.65 118.68 119.76 2yry s LEU 51 Ca -0.03 0.42 -0.01 0.00 0.69 0.00 0.00 54.13 55.20 2yry s LEU 51 Cb -0.09 -2.22 0.03 0.00 -0.43 0.00 0.00 46.19 43.47 2yry s LEU 51 CO 0.02 0.20 0.00 -0.36 -0.29 0.00 0.00 176.35 175.92 2yry s PHE 52 N 0.06 0.74 -0.18 5.38 0.08 0.11 -2.80 117.98 121.38 2yry s PHE 52 Ca 0.13 -0.25 -0.05 0.00 0.12 0.00 0.00 56.93 56.89 2yry s PHE 52 Cb -0.12 -0.84 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2yry s PHE 52 CO 0.02 -0.36 -0.01 1.52 -0.10 0.00 0.00 175.22 176.29 2yry s TYR 53 N 1.95 3.05 0.00 0.36 -0.85 -1.23 -0.01 117.35 120.63 2yry s TYR 53 Ca 0.05 -0.32 0.06 0.00 -0.52 0.00 0.00 57.07 56.33 2yry s TYR 53 Cb -0.13 -2.02 -0.03 0.00 0.38 0.00 0.00 41.96 40.16 2yry s TYR 53 CO -0.06 -0.10 -0.17 0.71 -1.52 0.00 0.00 175.55 174.42 2yry s TYR 54 N 0.63 2.61 0.51 -3.49 1.51 0.49 -3.68 117.35 115.92 2yry s TYR 54 Ca -0.01 -0.23 0.37 0.00 -1.01 0.00 0.00 57.07 56.19 2yry s TYR 54 Cb -0.14 -1.53 1.53 0.00 -0.11 0.00 0.00 41.96 41.70 2yry s TYR 54 CO 0.02 0.21 1.69 1.57 -1.11 0.00 0.00 175.55 177.93 2yry h LYS 55 N 4.90 0.06 0.00 -0.62 2.10 -1.86 -2.68 116.57 118.47 2yry h LYS 55 Ca -0.47 -0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 57.91 2yry h LYS 55 Cb 1.15 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 32.40 2yry h LYS 55 CO 0.49 0.04 -0.15 -0.25 -2.00 0.00 0.00 179.45 177.58 2yry n ASP 56 N -4.28 -1.22 -1.71 7.07 9.92 -1.26 -4.54 116.55 120.53 2yry n ASP 56 Ca 0.34 -2.76 -0.05 0.00 -0.53 0.00 0.00 54.79 51.79 2yry n ASP 56 Cb 1.47 2.30 -0.07 0.00 -0.64 0.00 0.00 41.12 44.18 2yry n ASP 56 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2yry n GLU 57 N -0.54 1.39 -0.09 -1.24 -0.00 -1.26 -3.78 120.64 115.13 2yry n GLU 57 Ca 0.01 -0.41 -0.11 0.00 -0.00 0.00 0.00 57.16 56.66 2yry n GLU 57 Cb 0.54 -1.41 -0.12 0.00 -0.00 0.00 0.00 31.44 30.45 2yry n GLU 57 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2yry n LYS 58 N 1.92 0.97 -3.79 3.44 2.85 -1.26 -5.02 118.16 117.28 2yry n LYS 58 Ca 0.17 0.04 -0.25 0.00 -1.05 0.00 0.00 58.31 57.22 2yry n LYS 58 Cb 0.66 -1.43 0.03 0.00 -0.65 0.00 0.00 35.03 33.64 2yry n LYS 58 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2yry n GLU 59 N -2.82 -5.31 -0.09 -1.58 1.02 -1.25 -4.91 120.64 105.70 2yry n GLU 59 Ca -0.32 0.62 -0.13 0.00 -0.02 0.00 0.00 57.16 57.31 2yry n GLU 59 Cb 1.00 -5.34 -0.04 0.00 -0.02 0.00 0.00 31.44 27.04 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 -4.48 0.51 -4.30 3.49 -0.58 -1.26 -4.97 120.64 109.05 2yry n GLU 60 Ca -0.14 0.21 -0.34 0.00 -0.42 0.00 0.00 57.16 56.47 2yry n GLU 60 Cb 0.61 -1.39 -0.15 0.00 -0.57 0.00 0.00 31.44 29.94 2yry n GLU 60 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2yry s SER 61 N -6.24 3.82 -0.30 1.62 1.04 -1.26 -5.09 113.70 107.30 2yry s SER 61 Ca -0.29 -0.45 -0.29 0.00 0.48 0.00 0.00 55.95 55.39 2yry s SER 61 Cb 0.06 -1.61 0.01 0.00 0.10 0.00 0.00 66.02 64.58 2yry s SER 61 CO 0.42 0.05 1.12 -0.63 0.98 0.00 0.00 173.24 175.18 2yry s ILE 62 N 1.03 4.45 -0.05 -1.02 1.01 -1.26 -4.72 121.20 120.65 2yry s ILE 62 Ca -0.01 1.68 -0.23 0.00 0.00 0.00 0.00 60.65 62.09 2yry s ILE 62 Cb -0.15 -4.34 -0.27 0.00 0.01 0.00 0.00 42.46 37.71 2yry s ILE 62 CO -0.03 -0.44 0.96 -0.07 0.00 0.00 0.00 174.94 175.37 2yry h LEU 63 N 10.14 0.37 -7.23 2.97 3.38 -1.99 -3.47 115.31 119.48 2yry h LEU 63 Ca -0.22 -0.87 -0.10 0.00 0.09 0.00 0.00 57.88 56.78 2yry h LEU 63 Cb 1.07 -0.12 -0.24 0.00 0.09 0.00 0.00 40.66 41.46 2yry h LEU 63 CO 1.03 1.20 -0.20 -0.83 0.09 0.00 0.00 178.44 179.72 2yry s GLY 64 N -4.19 -0.36 0.08 0.83 0.00 -1.26 -5.10 107.32 97.32 2yry s GLY 64 Ca -0.15 1.45 0.10 0.00 0.00 0.00 0.00 44.72 46.12 2yry s GLY 64 CO 0.79 1.38 -0.26 -0.45 0.00 0.00 0.00 173.10 174.56 2yry s SER 65 N 0.69 3.13 -0.08 1.64 0.15 -1.26 -3.54 113.70 114.42 2yry s SER 65 Ca -0.04 -0.65 -0.03 0.00 0.70 0.00 0.00 55.95 55.93 2yry s SER 65 Cb -0.05 -0.25 0.05 0.00 -1.71 0.00 0.00 66.02 64.06 2yry s SER 65 CO -0.05 0.21 0.16 -0.63 1.20 0.00 0.00 173.24 174.13 2yry s ILE 66 N -0.92 -0.20 -0.06 6.45 1.01 -1.12 -5.04 121.20 121.31 2yry s ILE 66 Ca 0.12 0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 2yry s ILE 66 Cb -0.10 -0.29 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 2yry s ILE 66 CO 0.04 0.12 1.50 -2.16 0.00 0.00 0.00 174.94 174.44 2yry s PRO 67 N 1.93 4.22 -0.00 2.79 0.04 -1.26 -2.63 135.00 140.08 2yry s PRO 67 Ca -0.01 2.02 0.17 0.00 0.04 0.00 0.00 61.00 63.22 2yry s PRO 67 Cb -0.12 -3.82 -0.18 0.00 0.04 0.00 0.00 34.50 30.42 2yry s PRO 67 CO -0.06 -0.75 0.64 1.28 0.04 0.00 0.00 177.00 178.16 2yry n LEU 68 N 6.53 0.62 0.17 -3.56 4.77 -1.24 -4.02 117.00 120.26 2yry n LEU 68 Ca 0.15 0.27 0.08 0.00 -0.03 0.00 0.00 56.01 56.49 2yry n LEU 68 Cb 0.43 0.15 0.42 0.00 -2.33 0.00 0.00 43.42 42.09 2yry n LEU 68 CO 0.60 0.21 0.81 -0.11 -1.33 0.00 0.00 177.39 177.57 2yry n LEU 69 N -2.81 0.40 -2.25 2.23 7.94 -1.24 -0.58 117.00 120.69 2yry n LEU 69 Ca -0.14 0.61 -0.21 0.00 -1.11 0.00 0.00 56.01 55.16 2yry n LEU 69 Cb 0.88 -0.59 0.02 0.00 0.53 0.00 0.00 43.42 44.26 2yry n LEU 69 CO 0.43 -0.75 0.15 -1.54 -1.11 0.00 0.00 177.39 174.57 2yry n SER 70 N -2.12 4.35 -3.83 1.96 3.41 -1.25 -4.28 113.62 111.87 2yry n SER 70 Ca -0.01 -3.51 -0.10 0.00 -0.26 0.00 0.00 58.87 54.99 2yry n SER 70 Cb 0.25 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 63.73 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 -3.59 0.03 -0.85 7.33 0.40 0.25 -4.22 117.98 117.34 2yry s PHE 71 Ca 0.47 -0.26 -0.00 0.00 -0.60 0.00 0.00 56.93 56.54 2yry s PHE 71 Cb 0.40 -0.01 0.21 0.00 0.51 0.00 0.00 43.02 44.13 2yry s PHE 71 CO -0.03 -0.45 0.71 -0.98 0.70 0.00 0.00 175.22 175.18 2yry s ARG 72 N -2.67 3.09 0.28 0.44 1.70 0.11 -4.56 118.95 117.33 2yry s ARG 72 Ca -0.04 -3.29 -0.30 0.00 -0.47 0.00 0.00 55.73 51.62 2yry s ARG 72 Cb -0.01 -3.83 -0.12 0.00 -0.57 0.00 0.00 34.95 30.42 2yry s ARG 72 CO -0.04 -1.27 1.52 0.28 -1.08 0.00 0.00 175.30 174.71 2yry n VAL 73 N 2.25 1.05 -3.64 4.99 0.31 -1.26 -4.08 118.33 117.96 2yry n VAL 73 Ca 0.21 -0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 64.17 2yry n VAL 73 Cb 0.36 -1.78 -0.07 0.00 -0.91 0.00 0.00 33.84 31.44 2yry n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yry s ALA 74 N -0.09 -1.90 0.43 3.52 0.00 -1.09 -4.82 121.76 117.82 2yry s ALA 74 Ca 0.65 2.04 -0.24 0.00 0.00 0.00 0.00 51.96 54.41 2yry s ALA 74 Cb -0.55 -1.35 -0.10 0.00 0.00 0.00 0.00 23.12 21.12 2yry s ALA 74 CO 0.50 -0.31 1.05 0.00 0.00 0.00 0.00 175.76 177.00 2yry n ALA 75 N 2.83 0.36 -1.23 0.00 0.00 -1.26 -2.02 120.51 119.18 2yry n ALA 75 Ca -0.15 0.22 -0.36 0.00 0.00 0.00 0.00 53.44 53.16 2yry n ALA 75 Cb 0.56 -2.11 0.08 0.00 0.00 0.00 0.00 19.45 17.98 2yry n ALA 75 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2yry n VAL 76 N -0.52 1.86 -2.80 0.00 0.24 0.47 -4.76 118.33 112.81 2yry n VAL 76 Ca 0.09 -0.36 -0.28 0.00 -2.04 0.00 0.00 64.34 61.75 2yry n VAL 76 Cb 0.40 -0.84 -0.01 0.00 -1.47 0.00 0.00 33.84 31.91 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 -3.05 3.63 0.00 7.34 -0.21 -1.26 -4.95 119.66 121.15 2yry s GLN 77 Ca 0.67 0.25 0.11 0.00 0.02 0.00 0.00 55.36 56.41 2yry s GLN 77 Cb -0.33 -2.42 0.64 0.00 1.00 0.00 0.00 33.01 31.90 2yry s GLN 77 CO 0.57 -0.09 1.07 -0.35 -2.12 0.00 0.00 175.29 174.36 2yry n PRO 78 N -1.79 0.49 -1.23 2.91 -0.04 -1.26 -2.36 135.00 131.73 2yry n PRO 78 Ca 0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 2yry n PRO 78 Cb 0.55 -1.34 0.12 0.00 -0.04 0.00 0.00 33.50 32.78 2yry n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yry n SER 79 N -0.84 1.89 -4.80 3.54 2.88 -1.26 -5.07 113.62 109.96 2yry n SER 79 Ca 0.08 -3.16 -0.22 0.00 -1.33 0.00 0.00 58.87 54.24 2yry n SER 79 Cb 0.04 -0.43 -0.05 0.00 -0.75 0.00 0.00 64.21 63.02 2yry n SER 79 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2yry s ASP 80 N -2.95 5.11 -0.23 -3.46 1.11 -0.99 -5.01 116.67 110.24 2yry s ASP 80 Ca 0.38 -0.55 -0.03 0.00 0.18 0.00 0.00 52.55 52.52 2yry s ASP 80 Cb 0.38 -0.95 -0.01 0.00 1.07 0.00 0.00 42.92 43.41 2yry s ASP 80 CO -0.08 -0.28 2.76 0.59 1.18 0.00 0.00 175.17 179.33 2yry n ASN 81 N -1.26 5.95 -3.82 0.27 3.02 -1.26 -4.70 115.26 113.46 2yry n ASN 81 Ca -0.03 -2.85 -0.29 0.00 -0.03 0.00 0.00 54.58 51.38 2yry n ASN 81 Cb 0.60 -1.24 -0.13 0.00 -0.61 0.00 0.00 39.78 38.40 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 -0.98 2.14 0.22 2.41 -1.09 -1.26 -4.96 121.20 117.67 2yry s ILE 82 Ca 0.47 -3.28 -0.08 0.00 -2.23 0.00 0.00 60.65 55.53 2yry s ILE 82 Cb 0.28 -2.47 0.16 0.00 -1.58 0.00 0.00 42.46 38.86 2yry s ILE 82 CO -0.08 -0.91 1.77 0.77 -1.23 0.00 0.00 174.94 175.25 2yry h SER 83 N 6.23 0.37 -2.22 3.58 4.64 -2.00 -3.41 113.55 120.74 2yry h SER 83 Ca 0.02 0.07 -0.57 0.00 -0.47 0.00 0.00 61.79 60.83 2yry h SER 83 Cb 0.87 0.01 0.03 0.00 -0.31 0.00 0.00 62.40 62.99 2yry h SER 83 CO 0.61 0.21 1.11 0.54 -0.87 0.00 0.00 176.83 178.44 2yry n ARG 84 N -4.91 2.47 -1.89 4.77 1.74 -1.26 -4.96 116.66 112.62 2yry n ARG 84 Ca 0.10 0.90 -0.30 0.00 -0.77 0.00 0.00 57.85 57.78 2yry n ARG 84 Cb 0.27 -2.78 0.04 0.00 -1.02 0.00 0.00 32.46 28.97 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 3.67 3.00 -0.83 5.56 1.02 -1.26 -4.29 119.74 126.60 2yry s LYS 85 Ca 0.89 0.51 -0.02 0.00 0.02 0.00 0.00 55.97 57.36 2yry s LYS 85 Cb -0.58 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 2yry s LYS 85 CO 0.45 -0.94 0.71 0.72 -0.92 0.00 0.00 175.35 175.37 2yry n HIS 86 N -2.95 -1.62 -4.40 3.18 8.25 -1.26 -4.44 115.22 111.98 2yry n HIS 86 Ca 0.07 0.64 -0.25 0.00 -0.26 0.00 0.00 57.72 57.92 2yry n HIS 86 Cb 0.57 -3.93 -0.10 0.00 1.12 0.00 0.00 29.99 27.64 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 -3.23 2.69 -0.13 1.59 2.01 -1.26 -0.90 115.64 116.41 2yry s THR 87 Ca 0.13 -2.08 -0.07 0.00 0.31 0.00 0.00 61.69 59.98 2yry s THR 87 Cb -0.06 -2.36 0.05 0.00 0.01 0.00 0.00 72.50 70.13 2yry s THR 87 CO 0.49 -0.25 0.31 0.72 -0.69 0.00 0.00 174.62 175.19 2yry s PHE 88 N -2.06 -0.42 0.06 4.92 -0.71 0.69 -0.40 117.98 120.07 2yry s PHE 88 Ca 0.26 0.95 0.07 0.00 -1.04 0.00 0.00 56.93 57.17 2yry s PHE 88 Cb -0.07 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 2yry s PHE 88 CO 0.14 -0.26 -0.14 -1.59 -1.34 0.00 0.00 175.22 172.03 2yry s LYS 89 N 1.16 2.15 0.13 1.99 0.00 -0.86 -1.07 119.74 123.24 2yry s LYS 89 Ca -0.08 -0.96 0.04 0.00 0.00 0.00 0.00 55.97 54.97 2yry s LYS 89 Cb -0.09 -2.27 -0.04 0.00 0.00 0.00 0.00 37.83 35.43 2yry s LYS 89 CO -0.09 0.54 0.11 0.00 0.00 0.00 0.00 175.35 175.91 2yry s ALA 90 N -1.04 3.55 -0.07 0.59 0.00 0.23 -2.66 121.76 122.37 2yry s ALA 90 Ca 0.17 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 2yry s ALA 90 Cb -0.11 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.65 2yry s ALA 90 CO 0.08 0.60 0.26 -2.00 0.00 0.00 0.00 175.76 174.70 2yry s GLU 91 N -2.80 0.41 -0.02 0.00 2.12 -1.26 -0.61 118.70 116.54 2yry s GLU 91 Ca 0.30 0.14 0.11 0.00 0.36 0.00 0.00 54.97 55.88 2yry s GLU 91 Cb -0.11 0.19 -0.17 0.00 0.26 0.00 0.00 34.13 34.30 2yry s GLU 91 CO 0.23 -0.08 0.23 1.58 -0.54 0.00 0.00 175.26 176.67 2yry n HIS 92 N 2.36 0.00 -2.78 5.30 -0.00 -1.19 0.09 115.22 119.01 2yry n HIS 92 Ca -0.16 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.49 2yry n HIS 92 Cb 0.57 -0.28 0.03 0.00 -0.00 0.00 0.00 29.99 30.31 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 -1.93 -0.47 0.00 1.57 0.00 -1.26 -4.78 120.51 113.64 2yry n ALA 93 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2yry n ALA 93 Cb 0.34 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.00 0.00 0.53 0.00 0.00 -1.26 -5.04 105.19 98.42 2yry n GLY 94 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.06 0.60 -3.94 1.61 0.31 -1.26 -5.15 118.33 110.44 2yry n VAL 95 Ca 0.00 0.26 0.01 0.00 -0.01 0.00 0.00 64.34 64.60 2yry n VAL 95 Cb 0.00 -1.57 0.01 0.00 -0.91 0.00 0.00 33.84 31.37 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 -3.15 0.26 -3.87 5.55 1.85 -1.26 -5.07 116.66 110.96 2yry n ARG 96 Ca -0.03 -0.81 -0.30 0.00 -1.00 0.00 0.00 57.85 55.71 2yry n ARG 96 Cb 0.12 1.24 -0.15 0.00 -1.05 0.00 0.00 32.46 32.61 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 -2.06 1.33 0.57 8.89 2.01 -1.26 -3.17 115.64 121.94 2yry s THR 97 Ca 0.24 -1.37 -0.14 0.00 0.31 0.00 0.00 61.69 60.72 2yry s THR 97 Cb -0.01 -1.81 -0.06 0.00 0.01 0.00 0.00 72.50 70.64 2yry s THR 97 CO 0.01 -0.36 1.01 -0.31 -0.69 0.00 0.00 174.62 174.28 2yry s TYR 98 N 1.44 3.42 0.12 4.92 2.02 0.21 -4.81 117.35 124.67 2yry s TYR 98 Ca 0.02 1.42 0.08 0.00 -0.37 0.00 0.00 57.07 58.22 2yry s TYR 98 Cb -0.18 -2.81 -0.04 0.00 -0.40 0.00 0.00 41.96 38.53 2yry s TYR 98 CO -0.12 -0.62 -0.20 -0.06 -1.57 0.00 0.00 175.55 172.98 2yry s PHE 99 N -2.79 1.76 -0.26 2.71 0.40 -1.26 0.78 117.98 119.33 2yry s PHE 99 Ca 0.58 -0.44 -0.06 0.00 -0.60 0.00 0.00 56.93 56.42 2yry s PHE 99 Cb -0.11 -0.94 0.13 0.00 0.51 0.00 0.00 43.02 42.60 2yry s PHE 99 CO 0.40 0.23 0.52 -0.06 0.70 0.00 0.00 175.22 177.01 2yry s PHE 100 N -1.43 -1.13 0.35 0.36 0.08 -0.23 -3.66 117.98 112.32 2yry s PHE 100 Ca 0.09 1.69 0.02 0.00 0.12 0.00 0.00 56.93 58.84 2yry s PHE 100 Cb -0.09 0.46 -0.02 0.00 -0.57 0.00 0.00 43.02 42.80 2yry s PHE 100 CO 0.05 -0.66 0.53 0.45 -0.10 0.00 0.00 175.22 175.49 2yry s SER 101 N 2.74 6.19 -0.05 1.36 0.15 -0.92 -0.22 113.70 122.94 2yry s SER 101 Ca 0.04 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2yry s SER 101 Cb -0.13 -1.84 0.02 0.00 -1.71 0.00 0.00 66.02 62.36 2yry s SER 101 CO -0.17 -0.34 -0.03 0.00 1.20 0.00 0.00 173.24 173.90 2yry s ALA 102 N -2.29 0.64 0.21 5.45 0.00 -0.08 -3.25 121.76 122.44 2yry s ALA 102 Ca 0.41 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 2yry s ALA 102 Cb -0.10 -0.49 0.23 0.00 0.00 0.00 0.00 23.12 22.76 2yry s ALA 102 CO 0.35 -0.13 1.62 0.93 0.00 0.00 0.00 175.76 178.52 2yry h GLU 103 N 7.47 -0.03 -6.43 0.00 4.39 -1.86 -3.42 114.58 114.70 2yry h GLU 103 Ca -0.34 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.74 2yry h GLU 103 Cb 1.14 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 29.65 2yry h GLU 103 CO 0.42 -0.02 -0.75 -1.54 -1.16 0.00 0.00 179.01 175.96 2yry s SER 104 N -5.22 3.96 0.53 1.42 1.04 -1.26 -4.96 113.70 109.22 2yry s SER 104 Ca -0.14 -0.73 0.31 0.00 0.48 0.00 0.00 55.95 55.87 2yry s SER 104 Cb 0.19 -0.55 1.31 0.00 0.10 0.00 0.00 66.02 67.08 2yry s SER 104 CO 0.73 0.09 1.97 1.55 0.98 0.00 0.00 173.24 178.56 2yry h PRO 105 N 2.77 0.00 -0.08 4.02 0.13 -1.89 -2.85 132.00 134.10 2yry h PRO 105 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2yry h PRO 105 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2yry h PRO 105 CO 0.54 0.06 -0.34 0.93 -0.23 0.00 0.00 178.00 178.96 2yry h GLU 106 N 0.00 0.16 0.17 0.86 5.08 -1.96 -2.50 114.58 116.39 2yry h GLU 106 Ca -0.00 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.05 2yry h GLU 106 Cb 0.53 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.80 2yry h GLU 106 CO 0.01 0.49 -1.13 0.93 -1.00 0.00 0.00 179.01 178.30 2yry h GLU 107 N 0.14 0.35 -0.14 2.33 5.08 -1.90 -2.93 114.58 117.51 2yry h GLU 107 Ca 0.02 -0.60 0.04 0.00 -1.00 0.00 0.00 59.36 57.81 2yry h GLU 107 Cb 0.68 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 2yry h GLU 107 CO 0.05 1.29 -0.11 0.37 -1.00 0.00 0.00 179.01 179.61 2yry h GLN 108 N -0.21 -0.12 0.05 2.33 4.15 -1.48 0.22 115.11 120.05 2yry h GLN 108 Ca -0.21 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.22 2yry h GLN 108 Cb 1.81 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.53 2yry h GLN 108 CO 0.17 -0.08 -0.02 1.05 -1.93 0.00 0.00 178.83 178.02 2yry h GLU 109 N -0.12 -0.06 -0.31 1.69 4.11 -1.59 -1.87 114.58 116.42 2yry h GLU 109 Ca 0.09 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.58 2yry h GLU 109 Cb 0.26 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2yry h GLU 109 CO -0.22 0.09 -0.02 0.00 0.07 0.00 0.00 179.01 178.93 2yry h ALA 110 N 0.75 0.27 -0.10 1.06 0.00 -1.30 -1.98 119.26 117.95 2yry h ALA 110 Ca -0.01 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2yry h ALA 110 Cb 0.18 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2yry h ALA 110 CO 0.01 -0.42 -0.10 -1.49 0.00 0.00 0.00 179.25 177.25 2yry h TRP 111 N 0.07 -0.25 -1.00 0.00 4.06 -0.48 -1.92 115.95 116.43 2yry h TRP 111 Ca 0.15 0.02 0.18 0.00 2.06 0.00 0.00 58.89 61.30 2yry h TRP 111 Cb 0.21 0.13 -0.10 0.00 -1.00 0.00 0.00 29.16 28.40 2yry h TRP 111 CO -0.24 -0.16 0.62 0.82 -3.56 0.00 0.00 178.44 175.92 2yry h ILE 112 N -0.13 0.74 -0.63 1.49 2.04 -0.91 0.37 117.51 120.49 2yry h ILE 112 Ca 0.07 -0.27 0.10 0.00 1.00 0.00 0.00 64.86 65.76 2yry h ILE 112 Cb 0.23 -0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.14 2yry h ILE 112 CO -0.18 0.14 0.24 1.56 0.00 0.00 0.00 178.15 179.92 2yry h GLN 113 N 0.78 0.41 0.00 2.37 4.20 -0.61 1.18 115.11 123.44 2yry h GLN 113 Ca 0.56 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.22 2yry h GLN 113 Cb 0.85 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 2yry h GLN 113 CO -0.34 0.27 -0.15 0.00 -0.67 0.00 0.00 178.83 177.94 2yry h ALA 114 N 1.43 0.02 0.68 3.87 0.00 -1.02 -3.17 119.26 121.07 2yry h ALA 114 Ca 0.32 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2yry h ALA 114 Cb 0.40 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2yry h ALA 114 CO -0.31 0.11 -0.39 0.52 0.00 0.00 0.00 179.25 179.17 2yry h MET 115 N -1.00 -0.96 -0.57 0.00 2.86 -0.31 0.14 114.93 115.09 2yry h MET 115 Ca -0.03 0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.79 2yry h MET 115 Cb 0.48 0.22 -0.11 0.00 0.06 0.00 0.00 31.60 32.25 2yry h MET 115 CO -0.02 -0.64 -0.22 0.78 1.06 0.00 0.00 176.91 177.87 2yry h GLY 116 N -1.00 0.20 0.57 8.32 0.00 0.13 0.02 103.07 111.30 2yry h GLY 116 Ca -0.09 0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 2yry h GLY 116 CO 0.10 -0.23 -0.27 0.83 0.00 0.00 0.00 176.54 176.97 2yry h GLU 117 N -0.08 -0.73 -1.62 4.80 4.39 -1.50 -2.85 114.58 116.98 2yry h GLU 117 Ca 0.26 0.05 0.47 0.00 0.34 0.00 0.00 59.36 60.48 2yry h GLU 117 Cb 0.49 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.24 2yry h GLU 117 CO -0.63 -0.49 1.23 0.00 -1.16 0.00 0.00 179.01 177.96 2yry h ALA 118 N -1.51 3.53 -0.41 3.43 0.00 -0.47 0.92 119.26 124.75 2yry h ALA 118 Ca -0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2yry h ALA 118 Cb 0.58 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2yry h ALA 118 CO 0.13 -2.06 -0.01 0.00 0.00 0.00 0.00 179.25 177.31 2yry h ALA 119 N 1.07 0.55 -1.65 0.00 0.00 -0.76 -3.36 119.26 115.11 2yry h ALA 119 Ca 0.77 -0.27 -0.49 0.00 0.00 0.00 0.00 54.91 54.92 2yry h ALA 119 Cb 3.21 -0.15 0.15 0.00 0.00 0.00 0.00 17.79 21.01 2yry h ALA 119 CO -0.01 0.34 -1.01 2.89 0.00 0.00 0.00 179.25 181.46 2yry n ARG 120 N -4.42 0.00 -3.40 0.00 1.85 0.32 -3.86 116.66 107.15 2yry n ARG 120 Ca -0.01 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.40 2yry n ARG 120 Cb 0.30 -0.83 -0.03 0.00 -1.05 0.00 0.00 32.46 30.85 2yry n ARG 120 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2yry s VAL 121 N -1.65 5.39 -2.77 8.89 1.01 -1.26 -4.81 120.40 125.20 2yry s VAL 121 Ca 0.46 -2.83 0.26 0.00 0.00 0.00 0.00 61.98 59.87 2yry s VAL 121 Cb -0.38 -4.32 0.35 0.00 0.00 0.00 0.00 36.38 32.03 2yry s VAL 121 CO 0.56 -1.05 1.48 0.00 0.00 0.00 0.00 175.10 176.09