#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 -0.19 0.00 1.61 0.01 -1.26 -5.17 113.70 108.70 2yry s SER 2 Ca 0.00 -0.72 0.07 0.00 1.31 0.00 0.00 55.95 56.61 2yry s SER 2 Cb 0.00 0.64 -0.02 0.00 0.21 0.00 0.00 66.02 66.85 2yry s SER 2 CO 0.00 -1.20 -0.22 -0.44 0.41 0.00 0.00 173.24 171.80 2yry s SER 3 N -2.95 2.56 -0.40 2.44 0.01 -1.26 -5.07 113.70 109.03 2yry s SER 3 Ca 0.15 -0.43 0.10 0.00 1.31 0.00 0.00 55.95 57.08 2yry s SER 3 Cb -0.03 -0.27 0.31 0.00 0.21 0.00 0.00 66.02 66.25 2yry s SER 3 CO 0.06 0.24 0.67 0.61 0.41 0.00 0.00 173.24 175.23 2yry n GLY 4 N 2.34 3.52 3.34 3.44 0.00 -1.26 -5.05 105.19 111.52 2yry n GLY 4 Ca -0.16 -1.75 -0.01 0.00 0.00 0.00 0.00 46.02 44.10 2yry n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yry s SER 5 N -2.08 -1.00 -0.01 1.61 1.04 -1.26 -5.16 113.70 106.84 2yry s SER 5 Ca 0.39 1.11 -0.19 0.00 0.48 0.00 0.00 55.95 57.73 2yry s SER 5 Cb 0.28 2.02 0.04 0.00 0.10 0.00 0.00 66.02 68.46 2yry s SER 5 CO -0.09 -0.24 0.41 -0.55 0.98 0.00 0.00 173.24 173.75 2yry s SER 6 N 2.82 -0.31 0.00 7.02 0.15 -1.26 -5.12 113.70 116.99 2yry s SER 6 Ca 0.07 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2yry s SER 6 Cb -0.13 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2yry s SER 6 CO -0.19 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.34 2yry n GLY 7 N 1.04 -0.18 0.00 9.45 0.00 -1.26 -5.19 105.19 109.05 2yry n GLY 7 Ca -0.20 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.91 3.63 -0.02 0.00 -1.26 -5.18 105.19 103.26 2yry n GLY 8 Ca 0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.00 0.80 0.02 1.61 -2.85 -1.26 -5.13 119.74 110.93 2yry s LYS 9 Ca 0.00 0.91 -0.33 0.00 -1.00 0.00 0.00 55.97 55.56 2yry s LYS 9 Cb 0.00 0.39 -0.11 0.00 -2.06 0.00 0.00 37.83 36.05 2yry s LYS 9 CO 0.00 -0.10 1.85 0.54 0.10 0.00 0.00 175.35 177.73 2yry n ARG 10 N 2.55 2.46 -1.76 1.78 1.74 -1.26 -4.84 116.66 117.33 2yry n ARG 10 Ca -0.14 0.90 -0.38 0.00 -0.77 0.00 0.00 57.85 57.45 2yry n ARG 10 Cb 0.55 -2.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.20 2yry n ARG 10 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2yry s SER 11 N 3.39 4.95 0.07 0.55 0.15 -1.26 -4.68 113.70 116.88 2yry s SER 11 Ca 0.88 0.97 0.00 0.00 0.70 0.00 0.00 55.95 58.49 2yry s SER 11 Cb -0.59 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.21 2yry s SER 11 CO 0.44 -2.51 0.00 1.57 1.20 0.00 0.00 173.24 173.95 2yry n HIS 12 N 13.91 -0.08 -4.47 3.44 -0.00 -1.26 -5.05 115.22 121.70 2yry n HIS 12 Ca 0.30 0.01 -0.34 0.00 0.46 0.00 0.00 57.72 58.15 2yry n HIS 12 Cb 0.52 0.02 -0.12 0.00 -0.12 0.00 0.00 29.99 30.29 2yry n HIS 12 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2yry s SER 13 N -5.65 4.71 -0.27 0.26 0.01 -1.26 -5.10 113.70 106.41 2yry s SER 13 Ca 0.00 -0.12 -0.06 0.00 1.31 0.00 0.00 55.95 57.08 2yry s SER 13 Cb 0.00 -1.66 -0.00 0.00 0.21 0.00 0.00 66.02 64.57 2yry s SER 13 CO 0.00 0.21 0.05 -0.04 0.41 0.00 0.00 173.24 173.86 2yry s MET 14 N 0.13 3.24 0.20 12.44 -1.94 -1.26 -5.09 119.30 127.02 2yry s MET 14 Ca -0.02 -0.74 0.07 0.00 -1.71 0.00 0.00 55.69 53.29 2yry s MET 14 Cb -0.14 -3.27 -0.05 0.00 2.01 0.00 0.00 34.83 33.38 2yry s MET 14 CO 0.03 -0.34 -0.12 -1.59 -0.01 0.00 0.00 175.02 172.98 2yry s LYS 15 N 1.51 1.30 -0.32 2.03 -2.85 -1.26 -4.84 119.74 115.30 2yry s LYS 15 Ca 0.04 -1.58 -0.11 0.00 -1.00 0.00 0.00 55.97 53.31 2yry s LYS 15 Cb -0.16 -1.01 -0.02 0.00 -2.06 0.00 0.00 37.83 34.58 2yry s LYS 15 CO 0.01 0.14 0.20 0.50 0.10 0.00 0.00 175.35 176.30 2yry s ARG 16 N -3.68 3.49 0.38 1.78 3.52 -1.26 -5.07 118.95 118.11 2yry s ARG 16 Ca 0.22 -0.63 -0.27 0.00 -0.13 0.00 0.00 55.73 54.92 2yry s ARG 16 Cb 0.01 -3.68 -0.09 0.00 -1.56 0.00 0.00 34.95 29.62 2yry s ARG 16 CO 0.06 -0.39 1.28 -0.80 -0.81 0.00 0.00 175.30 174.63 2yry s ASN 17 N 1.68 6.53 0.13 -2.12 0.01 -1.26 -4.95 114.94 114.97 2yry s ASN 17 Ca 0.06 2.60 -0.12 0.00 -0.71 0.00 0.00 52.86 54.69 2yry s ASN 17 Cb -0.17 -2.64 -0.05 0.00 0.41 0.00 0.00 41.25 38.80 2yry s ASN 17 CO 0.09 -0.69 1.46 1.55 -1.51 0.00 0.00 177.10 178.00 2yry h PRO 18 N 2.95 0.90 -0.90 -0.60 0.13 -2.03 -3.17 132.00 129.27 2yry h PRO 18 Ca -0.49 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 2yry h PRO 18 Cb 1.24 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2yry h PRO 18 CO 0.64 1.12 0.57 -0.91 -0.23 0.00 0.00 178.00 179.19 2yry h ASN 19 N 0.71 1.06 -1.99 1.44 2.35 -2.06 -3.43 115.58 113.66 2yry h ASN 19 Ca 0.06 -0.05 -0.63 0.00 -0.55 0.00 0.00 56.30 55.13 2yry h ASN 19 Cb 0.96 -0.27 0.05 0.00 0.05 0.00 0.00 38.32 39.11 2yry h ASN 19 CO 0.09 0.80 0.68 0.00 -1.65 0.00 0.00 177.43 177.35 2yry n ALA 20 N -2.37 0.34 -2.15 -0.83 0.00 -1.20 -4.90 120.51 109.40 2yry n ALA 20 Ca 0.10 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.58 2yry n ALA 20 Cb 0.04 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 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 1.03 4.35 -0.23 0.00 0.04 -1.26 -4.95 135.00 133.97 2yry s PRO 21 Ca 0.83 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.61 2yry s PRO 21 Cb -0.81 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 30.46 2yry s PRO 21 CO 0.43 -0.37 1.66 0.54 0.04 0.00 0.00 177.00 179.30 2yry s VAL 22 N 0.84 3.64 0.04 -0.36 0.11 -1.26 -4.59 120.40 118.81 2yry s VAL 22 Ca 0.62 0.71 -0.24 0.00 -2.93 0.00 0.00 61.98 60.14 2yry s VAL 22 Cb -0.36 -3.68 -0.13 0.00 -1.53 0.00 0.00 36.38 30.68 2yry s VAL 22 CO 0.32 -0.31 1.36 0.74 -3.33 0.00 0.00 175.10 173.88 2yry h THR 23 N 6.26 0.00 -3.28 5.04 2.02 -0.32 -3.46 112.91 119.16 2yry h THR 23 Ca -0.34 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.69 2yry h THR 23 Cb 1.16 0.00 -0.23 0.00 -1.74 0.00 0.00 68.15 67.34 2yry h THR 23 CO 1.01 0.00 -0.44 -0.75 0.37 0.00 0.00 175.52 175.71 2yry s LYS 24 N -4.88 0.41 -0.01 6.66 2.20 -1.17 -4.99 119.74 117.96 2yry s LYS 24 Ca -0.13 -0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 2yry s LYS 24 Cb 0.01 0.18 -0.00 0.00 -1.51 0.00 0.00 37.83 36.51 2yry s LYS 24 CO 0.38 -0.09 -0.08 0.00 -0.36 0.00 0.00 175.35 175.20 2yry s ALA 25 N -0.66 0.68 -0.30 3.13 0.00 -1.26 -0.52 121.76 122.83 2yry s ALA 25 Ca -0.08 -0.31 -0.26 0.00 0.00 0.00 0.00 51.96 51.31 2yry s ALA 25 Cb -0.04 -0.21 0.19 0.00 0.00 0.00 0.00 23.12 23.06 2yry s ALA 25 CO 0.01 0.14 1.43 0.20 0.00 0.00 0.00 175.76 177.55 2yry s GLY 26 N -0.04 0.31 -0.43 0.00 0.00 -0.98 -5.04 107.32 101.14 2yry s GLY 26 Ca 0.01 3.41 -0.28 0.00 0.00 0.00 0.00 44.72 47.85 2yry s GLY 26 CO -0.00 1.78 1.64 -0.98 0.00 0.00 0.00 173.10 175.54 2yry s TRP 27 N -0.18 2.02 0.53 1.90 0.52 -1.26 -2.46 118.94 120.01 2yry s TRP 27 Ca 0.08 0.64 0.04 0.00 0.02 0.00 0.00 56.10 56.88 2yry s TRP 27 Cb -0.04 -4.21 0.02 0.00 -1.15 0.00 0.00 33.47 28.08 2yry s TRP 27 CO -0.14 -2.43 0.24 -0.51 0.02 0.00 0.00 176.95 174.13 2yry s LEU 28 N 6.69 2.53 -0.05 2.99 1.43 -1.00 -4.81 118.68 126.46 2yry s LEU 28 Ca 0.69 -1.42 0.07 0.00 -1.03 0.00 0.00 54.13 52.44 2yry s LEU 28 Cb -0.17 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 2yry s LEU 28 CO 0.30 -1.01 -0.25 -0.36 0.23 0.00 0.00 176.35 175.26 2yry s PHE 29 N -2.82 2.37 -0.20 0.29 0.40 -1.21 -1.78 117.98 115.04 2yry s PHE 29 Ca 0.22 -0.63 -0.02 0.00 -0.60 0.00 0.00 56.93 55.90 2yry s PHE 29 Cb -0.01 -1.55 -0.00 0.00 0.51 0.00 0.00 43.02 41.97 2yry s PHE 29 CO 0.14 -0.16 -0.09 0.21 0.70 0.00 0.00 175.22 176.02 2yry s LYS 30 N -0.29 3.31 0.31 0.44 2.20 -1.22 -2.74 119.74 121.74 2yry s LYS 30 Ca 0.00 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 2yry s LYS 30 Cb -0.12 -2.87 -0.10 0.00 -1.51 0.00 0.00 37.83 33.23 2yry s LYS 30 CO 0.02 -0.13 1.30 -1.14 -0.36 0.00 0.00 175.35 175.04 2yry s GLN 31 N 1.26 4.38 0.00 4.03 0.74 -1.26 -3.03 119.66 125.78 2yry s GLN 31 Ca 0.03 2.17 0.00 0.00 0.05 0.00 0.00 55.36 57.61 2yry s GLN 31 Cb -0.14 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.87 2yry s GLN 31 CO -0.04 -0.17 0.36 0.00 -0.55 0.00 0.00 175.29 174.89 2yry n ALA 32 N 1.09 -0.12 -3.59 1.58 0.00 -1.16 -4.92 120.51 113.39 2yry n ALA 32 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 2yry n ALA 32 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.88 2yry n ALA 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2yry n SER 33 N -1.26 -1.12 -0.23 0.00 2.88 -1.26 -5.01 113.62 107.63 2yry n SER 33 Ca 0.00 -1.57 0.14 0.00 -1.33 0.00 0.00 58.87 56.11 2yry n SER 33 Cb 0.00 1.81 0.44 0.00 -0.75 0.00 0.00 64.21 65.71 2yry n SER 33 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2yry h SER 34 N 1.29 0.52 0.00 -3.46 4.64 -1.98 0.11 113.55 114.67 2yry h SER 34 Ca -0.18 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2yry h SER 34 Cb 0.78 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2yry h SER 34 CO 0.24 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 2yry n GLY 35 N -1.48 0.00 0.56 -0.77 0.00 -1.26 -3.78 105.19 98.47 2yry n GLY 35 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.92 -3.78 1.61 0.24 -1.24 -4.99 118.33 111.08 2yry n VAL 36 Ca 0.00 -0.96 -0.24 0.00 -2.04 0.00 0.00 64.34 61.10 2yry n VAL 36 Cb 0.00 0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 32.89 2yry n VAL 36 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2yry n LYS 37 N 0.42 -0.77 -0.73 7.34 2.85 0.38 -4.88 118.16 122.76 2yry n LYS 37 Ca 0.10 -0.03 -0.15 0.00 -1.05 0.00 0.00 58.31 57.18 2yry n LYS 37 Cb 0.40 -1.84 0.12 0.00 -0.65 0.00 0.00 35.03 33.05 2yry n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2yry n GLN 38 N -3.41 -1.44 -3.50 -1.58 10.64 -1.26 -4.77 117.38 112.05 2yry n GLN 38 Ca -0.15 -0.96 -0.22 0.00 -1.83 0.00 0.00 57.00 53.84 2yry n GLN 38 Cb 0.41 -0.77 -0.13 0.00 -0.86 0.00 0.00 30.24 28.89 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 -2.23 -0.11 -0.49 2.61 0.52 -1.26 -2.96 118.94 115.02 2yry s TRP 39 Ca 0.37 -0.23 -0.18 0.00 0.02 0.00 0.00 56.10 56.07 2yry s TRP 39 Cb -0.02 -0.57 0.05 0.00 -1.15 0.00 0.00 33.47 31.78 2yry s TRP 39 CO 0.27 -0.73 0.57 -0.80 0.02 0.00 0.00 176.95 176.29 2yry s ASN 40 N 2.25 6.22 0.10 2.95 0.01 -1.17 -4.88 114.94 120.42 2yry s ASN 40 Ca 0.07 -0.91 -0.31 0.00 -0.71 0.00 0.00 52.86 51.01 2yry s ASN 40 Cb -0.15 -2.27 -0.10 0.00 0.41 0.00 0.00 41.25 39.13 2yry s ASN 40 CO -0.23 -0.81 1.88 1.17 -1.51 0.00 0.00 177.10 177.60 2yry n LYS 41 N 5.97 2.82 -3.89 -0.60 4.81 -1.26 -3.46 118.16 122.56 2yry n LYS 41 Ca -0.07 1.03 -0.10 0.00 -0.87 0.00 0.00 58.31 58.30 2yry n LYS 41 Cb 0.45 -2.94 -0.09 0.00 0.02 0.00 0.00 35.03 32.47 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 3.22 0.61 -0.11 1.64 1.81 -0.73 -5.03 118.95 120.37 2yry s ARG 42 Ca 0.84 -0.65 -0.30 0.00 -1.72 0.00 0.00 55.73 53.90 2yry s ARG 42 Cb -0.47 0.25 -0.03 0.00 -0.45 0.00 0.00 34.95 34.25 2yry s ARG 42 CO 0.39 -0.16 1.37 -0.46 -0.68 0.00 0.00 175.30 175.75 2yry s TRP 43 N -2.42 2.67 0.00 -0.53 -0.00 -1.00 -2.37 118.94 115.31 2yry s TRP 43 Ca -0.06 0.81 -0.00 0.00 -0.00 0.00 0.00 56.10 56.84 2yry s TRP 43 Cb -0.02 -3.61 -0.04 0.00 -0.00 0.00 0.00 33.47 29.80 2yry s TRP 43 CO -0.03 -2.26 0.10 -0.06 -0.00 0.00 0.00 176.95 174.69 2yry s PHE 44 N 3.37 3.32 -0.12 5.86 0.40 -1.03 -0.56 117.98 129.21 2yry s PHE 44 Ca 0.60 0.21 -0.06 0.00 -0.60 0.00 0.00 56.93 57.09 2yry s PHE 44 Cb -0.26 -1.74 0.05 0.00 0.51 0.00 0.00 43.02 41.58 2yry s PHE 44 CO 0.20 0.56 0.29 0.08 0.70 0.00 0.00 175.22 177.05 2yry s VAL 45 N -1.24 -0.10 -0.35 -0.44 1.01 0.10 -2.33 120.40 117.06 2yry s VAL 45 Ca 0.24 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 2yry s VAL 45 Cb -0.12 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.82 2yry s VAL 45 CO 0.16 0.06 0.20 -0.22 0.00 0.00 0.00 175.10 175.30 2yry s LEU 46 N 1.46 4.48 -0.03 3.92 2.96 0.32 -0.10 118.68 131.69 2yry s LEU 46 Ca -0.08 -0.71 -0.01 0.00 -0.22 0.00 0.00 54.13 53.11 2yry s LEU 46 Cb -0.10 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.57 2yry s LEU 46 CO -0.10 -0.29 0.07 -0.69 -1.32 0.00 0.00 176.35 174.02 2yry s VAL 47 N 1.62 -0.04 -1.16 1.68 1.01 0.18 0.50 120.40 124.19 2yry s VAL 47 Ca 0.04 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 2yry s VAL 47 Cb -0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 2yry s VAL 47 CO 0.07 0.05 0.89 -0.67 0.00 0.00 0.00 175.10 175.44 2yry n ASP 48 N 3.78 -4.00 -2.21 3.32 2.03 -1.26 -1.53 116.55 116.68 2yry n ASP 48 Ca -0.22 -0.74 -0.06 0.00 0.52 0.00 0.00 54.79 54.29 2yry n ASP 48 Cb 0.54 -4.74 -0.01 0.00 -0.72 0.00 0.00 41.12 36.19 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 -3.82 -2.32 -4.15 -0.67 1.74 -1.26 -4.89 116.66 101.28 2yry n ARG 49 Ca -0.19 0.30 -0.16 0.00 -0.77 0.00 0.00 57.85 57.03 2yry n ARG 49 Cb 0.64 -4.76 -0.12 0.00 -1.02 0.00 0.00 32.46 27.20 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 -1.53 4.05 -0.11 0.00 0.20 -1.02 -0.65 118.68 119.62 2yry s LEU 51 Ca -0.04 0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.93 2yry s LEU 51 Cb -0.09 -2.04 0.03 0.00 -0.43 0.00 0.00 46.19 43.65 2yry s LEU 51 CO 0.01 0.16 -0.06 -0.36 -0.29 0.00 0.00 176.35 175.82 2yry s PHE 52 N 0.46 1.31 -0.20 5.38 0.08 0.86 -2.51 117.98 123.36 2yry s PHE 52 Ca 0.06 -0.63 -0.06 0.00 0.12 0.00 0.00 56.93 56.42 2yry s PHE 52 Cb -0.12 -1.14 -0.03 0.00 -0.57 0.00 0.00 43.02 41.16 2yry s PHE 52 CO -0.00 -0.48 0.03 1.52 -0.10 0.00 0.00 175.22 176.18 2yry s TYR 53 N 1.77 3.10 0.05 0.36 1.13 -1.25 -0.72 117.35 121.79 2yry s TYR 53 Ca 0.05 -0.27 0.04 0.00 -1.41 0.00 0.00 57.07 55.48 2yry s TYR 53 Cb -0.13 -2.10 -0.04 0.00 -1.10 0.00 0.00 41.96 38.59 2yry s TYR 53 CO -0.08 -0.13 -0.06 0.71 -2.51 0.00 0.00 175.55 173.49 2yry s TYR 54 N 0.88 2.89 0.54 -3.49 1.51 0.27 -3.30 117.35 116.66 2yry s TYR 54 Ca 0.02 -0.06 0.26 0.00 -1.01 0.00 0.00 57.07 56.29 2yry s TYR 54 Cb -0.14 -1.55 1.43 0.00 -0.11 0.00 0.00 41.96 41.59 2yry s TYR 54 CO 0.02 0.42 1.99 1.57 -1.11 0.00 0.00 175.55 178.44 2yry h LYS 55 N 4.02 0.00 -4.01 -0.62 -0.00 -1.86 -2.65 116.57 111.46 2yry h LYS 55 Ca -0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 60.04 2yry h LYS 55 Cb 1.17 0.00 -0.12 0.00 -0.00 0.00 0.00 32.23 33.27 2yry h LYS 55 CO 0.55 0.00 -0.36 0.16 -0.00 0.00 0.00 179.45 179.80 2yry s ASP 56 N -6.04 0.05 0.19 7.07 1.47 -1.26 -4.62 116.67 113.53 2yry s ASP 56 Ca -0.05 -1.01 0.17 0.00 1.18 0.00 0.00 52.55 52.84 2yry s ASP 56 Cb 0.19 0.45 0.79 0.00 -0.34 0.00 0.00 42.92 44.01 2yry s ASP 56 CO 0.70 -0.93 1.51 -1.84 0.68 0.00 0.00 175.17 175.29 2yry n GLU 57 N -0.25 0.11 -0.19 2.11 0.28 -1.26 -2.30 120.64 119.13 2yry n GLU 57 Ca -0.04 0.49 0.03 0.00 -0.16 0.00 0.00 57.16 57.48 2yry n GLU 57 Cb 0.63 -1.77 0.30 0.00 1.43 0.00 0.00 31.44 32.03 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 0.87 -5.46 3.44 1.57 -1.95 -3.47 116.57 111.57 2yry h LYS 58 Ca 0.00 -0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.43 2yry h LYS 58 Cb 0.14 -0.20 0.17 0.00 0.08 0.00 0.00 32.23 32.42 2yry h LYS 58 CO 0.00 0.57 -0.75 0.39 -0.57 0.00 0.00 179.45 179.09 2yry n GLU 59 N -4.45 -5.57 -0.06 3.15 1.02 -0.97 -4.95 120.64 108.80 2yry n GLU 59 Ca 0.09 0.82 -0.14 0.00 -0.02 0.00 0.00 57.16 57.91 2yry n GLU 59 Cb 0.11 -5.71 -0.12 0.00 -0.02 0.00 0.00 31.44 25.70 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 -1.67 0.01 -3.19 3.49 5.08 -1.91 -3.47 114.58 112.92 2yry h GLU 60 Ca -0.57 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 57.60 2yry h GLU 60 Cb 1.32 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.30 2yry h GLU 60 CO 0.47 0.90 -0.48 0.45 -1.00 0.00 0.00 179.01 179.34 2yry s SER 61 N -6.12 -0.22 -0.16 1.42 0.15 -1.26 -5.12 113.70 102.39 2yry s SER 61 Ca -0.18 0.44 -0.29 0.00 0.70 0.00 0.00 55.95 56.61 2yry s SER 61 Cb -0.02 0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 2yry s SER 61 CO 0.69 -0.09 1.43 -0.63 1.20 0.00 0.00 173.24 175.83 2yry s ILE 62 N 0.35 3.99 0.04 6.45 1.01 -1.26 -4.65 121.20 127.12 2yry s ILE 62 Ca -0.02 1.18 -0.18 0.00 0.00 0.00 0.00 60.65 61.62 2yry s ILE 62 Cb -0.03 -3.82 -0.17 0.00 0.01 0.00 0.00 42.46 38.44 2yry s ILE 62 CO -0.01 -0.17 1.24 -0.07 0.00 0.00 0.00 174.94 175.92 2yry h LEU 63 N 10.27 0.57 -7.10 2.97 3.38 -1.96 -3.45 115.31 119.98 2yry h LEU 63 Ca -0.31 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 56.99 2yry h LEU 63 Cb 1.13 -0.17 -0.24 0.00 0.09 0.00 0.00 40.66 41.47 2yry h LEU 63 CO 0.98 1.09 -0.22 -0.83 0.09 0.00 0.00 178.44 179.54 2yry s GLY 64 N -3.84 -0.48 -0.11 0.83 0.00 -1.26 -5.10 107.32 97.37 2yry s GLY 64 Ca -0.13 1.86 -0.08 0.00 0.00 0.00 0.00 44.72 46.37 2yry s GLY 64 CO 0.81 2.32 0.17 -1.35 0.00 0.00 0.00 173.10 175.05 2yry s SER 65 N 2.12 6.44 -0.07 1.64 1.04 -1.26 -3.86 113.70 119.74 2yry s SER 65 Ca -0.06 0.53 -0.02 0.00 0.48 0.00 0.00 55.95 56.87 2yry s SER 65 Cb -0.10 -2.09 0.04 0.00 0.10 0.00 0.00 66.02 63.97 2yry s SER 65 CO -0.15 0.40 0.05 -0.63 0.98 0.00 0.00 173.24 173.88 2yry s ILE 66 N -1.04 0.06 0.03 -1.02 1.01 -1.05 -5.06 121.20 114.13 2yry s ILE 66 Ca 0.16 0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 2yry s ILE 66 Cb -0.13 -0.36 -0.06 0.00 0.01 0.00 0.00 42.46 41.92 2yry s ILE 66 CO 0.05 0.12 1.43 -2.16 0.00 0.00 0.00 174.94 174.38 2yry s PRO 67 N 2.10 4.28 -0.08 2.79 0.04 -1.26 -2.45 135.00 140.42 2yry s PRO 67 Ca 0.04 2.03 0.19 0.00 0.04 0.00 0.00 61.00 63.30 2yry s PRO 67 Cb -0.13 -3.52 -0.29 0.00 0.04 0.00 0.00 34.50 30.60 2yry s PRO 67 CO -0.05 -0.57 0.32 1.28 0.04 0.00 0.00 177.00 178.02 2yry n LEU 68 N 5.15 0.00 0.07 -3.56 4.77 -1.25 -4.27 117.00 117.92 2yry n LEU 68 Ca 0.13 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 2yry n LEU 68 Cb 0.43 0.16 0.23 0.00 -2.33 0.00 0.00 43.42 41.91 2yry n LEU 68 CO 0.59 0.16 0.65 -0.11 -1.33 0.00 0.00 177.39 177.34 2yry n LEU 69 N -2.37 0.22 -1.18 2.23 7.94 -1.22 -0.49 117.00 122.12 2yry n LEU 69 Ca -0.13 0.55 -0.06 0.00 -1.11 0.00 0.00 56.01 55.25 2yry n LEU 69 Cb 0.73 -0.56 0.13 0.00 0.53 0.00 0.00 43.42 44.26 2yry n LEU 69 CO 0.42 -0.62 0.29 -1.20 -1.11 0.00 0.00 177.39 175.17 2yry n SER 70 N -1.77 3.03 -3.84 1.96 7.64 -1.25 -3.79 113.62 115.60 2yry n SER 70 Ca -0.01 -3.84 -0.18 0.00 1.01 0.00 0.00 58.87 55.85 2yry n SER 70 Cb 0.10 -0.46 -0.09 0.00 -1.01 0.00 0.00 64.21 62.76 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 -3.39 1.56 -0.44 1.43 0.40 0.35 -4.56 117.98 113.34 2yry s PHE 71 Ca 0.43 -1.46 0.03 0.00 -0.60 0.00 0.00 56.93 55.33 2yry s PHE 71 Cb 0.39 -0.76 0.15 0.00 0.51 0.00 0.00 43.02 43.31 2yry s PHE 71 CO -0.02 -0.65 0.30 0.50 0.70 0.00 0.00 175.22 176.05 2yry s ARG 72 N -3.77 1.11 0.45 0.44 3.52 0.61 -4.37 118.95 116.93 2yry s ARG 72 Ca 0.38 -2.04 -0.24 0.00 -0.13 0.00 0.00 55.73 53.69 2yry s ARG 72 Cb 0.04 -1.87 -0.09 0.00 -1.56 0.00 0.00 34.95 31.48 2yry s ARG 72 CO 0.19 -1.28 1.23 0.28 -0.81 0.00 0.00 175.30 174.92 2yry n VAL 73 N 3.21 2.78 -3.64 7.11 0.31 -1.26 -2.69 118.33 124.15 2yry n VAL 73 Ca 0.19 -0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 63.96 2yry n VAL 73 Cb 0.40 -1.50 -0.07 0.00 -0.91 0.00 0.00 33.84 31.77 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 -1.24 -2.09 0.32 3.52 0.00 -0.65 -4.81 121.76 116.80 2yry s ALA 74 Ca 0.64 2.04 -0.29 0.00 0.00 0.00 0.00 51.96 54.34 2yry s ALA 74 Cb -0.50 -1.55 -0.12 0.00 0.00 0.00 0.00 23.12 20.95 2yry s ALA 74 CO 0.56 -0.29 1.48 0.00 0.00 0.00 0.00 175.76 177.51 2yry n ALA 75 N 2.92 2.07 -1.21 0.00 0.00 -1.26 -0.62 120.51 122.41 2yry n ALA 75 Ca -0.15 0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 2yry n ALA 75 Cb 0.57 -2.39 0.05 0.00 0.00 0.00 0.00 19.45 17.68 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 1.24 1.01 -2.74 0.00 0.24 -0.57 -4.76 118.33 112.75 2yry n VAL 76 Ca 0.06 -0.44 -0.28 0.00 -2.04 0.00 0.00 64.34 61.64 2yry n VAL 76 Cb 0.37 -0.43 -0.01 0.00 -1.47 0.00 0.00 33.84 32.29 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 -2.19 3.63 0.00 7.34 -0.21 -1.26 -4.95 119.66 122.01 2yry s GLN 77 Ca 0.59 0.29 0.12 0.00 0.02 0.00 0.00 55.36 56.38 2yry s GLN 77 Cb -0.36 -2.39 0.74 0.00 1.00 0.00 0.00 33.01 31.99 2yry s GLN 77 CO 0.64 -0.13 1.16 -0.35 -2.12 0.00 0.00 175.29 174.50 2yry n PRO 78 N -1.86 0.49 -0.00 2.91 -0.04 -1.26 -1.93 135.00 133.30 2yry n PRO 78 Ca 0.01 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.53 2yry n PRO 78 Cb 0.55 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.89 1.75 -4.32 3.54 3.41 -1.26 -5.03 113.62 110.83 2yry n SER 79 Ca 0.09 -0.24 -0.32 0.00 -0.26 0.00 0.00 58.87 58.15 2yry n SER 79 Cb 0.04 1.37 0.19 0.00 -0.26 0.00 0.00 64.21 65.55 2yry n SER 79 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2yry n ASP 80 N -1.71 -2.25 -1.48 4.04 5.75 -0.81 -4.93 116.55 115.15 2yry n ASP 80 Ca -0.01 -0.11 -0.12 0.00 -0.01 0.00 0.00 54.79 54.54 2yry n ASP 80 Cb 0.27 -1.02 0.14 0.00 -1.03 0.00 0.00 41.12 39.48 2yry n ASP 80 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2yry n ASN 81 N -2.23 3.62 -4.48 -1.12 0.23 -1.26 -4.97 115.26 105.06 2yry n ASN 81 Ca 0.01 -3.80 -0.43 0.00 -0.53 0.00 0.00 54.58 49.84 2yry n ASN 81 Cb 0.60 -0.60 -0.05 0.00 -2.08 0.00 0.00 39.78 37.66 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2yry s ILE 82 N -3.78 4.49 0.37 1.53 -1.09 -1.26 -4.91 121.20 116.56 2yry s ILE 82 Ca 0.48 -0.14 0.21 0.00 -2.23 0.00 0.00 60.65 58.97 2yry s ILE 82 Cb 0.42 -4.53 0.36 0.00 -1.58 0.00 0.00 42.46 37.13 2yry s ILE 82 CO 0.00 -1.16 1.59 0.28 -1.23 0.00 0.00 174.94 174.43 2yry h SER 83 N 9.32 0.34 -3.13 3.58 0.02 -1.99 -3.40 113.55 118.30 2yry h SER 83 Ca -0.27 0.24 -0.39 0.00 -0.84 0.00 0.00 61.79 60.53 2yry h SER 83 Cb 1.08 0.24 0.21 0.00 0.14 0.00 0.00 62.40 64.07 2yry h SER 83 CO 1.09 -0.38 -0.07 -0.13 -1.14 0.00 0.00 176.83 176.20 2yry s ARG 84 N -5.52 -2.59 0.05 3.45 0.52 -1.26 -5.04 118.95 108.56 2yry s ARG 84 Ca -0.09 0.13 -0.00 0.00 -0.52 0.00 0.00 55.73 55.25 2yry s ARG 84 Cb 0.33 -1.42 -0.00 0.00 0.52 0.00 0.00 34.95 34.38 2yry s ARG 84 CO 0.79 -4.65 -0.01 1.63 0.02 0.00 0.00 175.30 173.07 2yry n LYS 85 N -5.47 0.01 -2.44 3.54 5.02 -1.26 -4.89 118.16 112.67 2yry n LYS 85 Ca 0.12 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.03 2yry n LYS 85 Cb 0.60 -0.29 -0.02 0.00 -0.02 0.00 0.00 35.03 35.30 2yry n LYS 85 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2yry s HIS 86 N -1.53 2.53 0.14 2.13 3.76 -1.26 -4.91 115.29 116.14 2yry s HIS 86 Ca -0.01 -0.99 0.05 0.00 -0.15 0.00 0.00 55.06 53.97 2yry s HIS 86 Cb 0.00 -4.55 -0.04 0.00 1.11 0.00 0.00 32.58 29.10 2yry s HIS 86 CO 0.01 -1.67 -0.12 0.99 -0.85 0.00 0.00 174.74 173.11 2yry s THR 87 N 6.14 1.22 -0.08 1.30 2.01 -1.26 -1.02 115.64 123.95 2yry s THR 87 Ca 0.57 -1.90 -0.04 0.00 0.31 0.00 0.00 61.69 60.64 2yry s THR 87 Cb 0.02 -1.68 0.04 0.00 0.01 0.00 0.00 72.50 70.89 2yry s THR 87 CO 0.08 -0.60 0.19 0.72 -0.69 0.00 0.00 174.62 174.31 2yry s PHE 88 N -2.78 -0.23 -0.08 4.92 -0.71 0.67 -1.52 117.98 118.25 2yry s PHE 88 Ca 0.13 0.60 0.02 0.00 -1.04 0.00 0.00 56.93 56.63 2yry s PHE 88 Cb -0.01 -0.02 -0.02 0.00 -1.21 0.00 0.00 43.02 41.76 2yry s PHE 88 CO 0.02 -0.18 -0.11 -1.59 -1.34 0.00 0.00 175.22 172.01 2yry s LYS 89 N 1.08 2.85 -0.24 1.99 -2.85 0.21 -0.47 119.74 122.32 2yry s LYS 89 Ca -0.08 -0.64 -0.08 0.00 -1.00 0.00 0.00 55.97 54.17 2yry s LYS 89 Cb -0.10 -2.53 -0.03 0.00 -2.06 0.00 0.00 37.83 33.11 2yry s LYS 89 CO -0.06 0.52 0.08 0.00 0.10 0.00 0.00 175.35 175.98 2yry s ALA 90 N -0.43 3.25 0.15 0.59 0.00 1.00 -1.64 121.76 124.67 2yry s ALA 90 Ca 0.06 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.08 2yry s ALA 90 Cb -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 2yry s ALA 90 CO 0.02 -0.35 -0.23 -1.83 0.00 0.00 0.00 175.76 173.37 2yry s GLU 91 N 1.36 1.56 0.00 0.00 -1.05 -1.09 -0.07 118.70 119.41 2yry s GLU 91 Ca 0.05 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 53.53 2yry s GLU 91 Cb -0.15 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.59 2yry s GLU 91 CO 0.04 0.44 0.55 1.58 0.95 0.00 0.00 175.26 178.82 2yry n HIS 92 N 0.67 0.00 -4.14 4.83 -0.00 -1.20 0.22 115.22 115.61 2yry n HIS 92 Ca -0.16 -0.07 -0.30 0.00 -0.00 0.00 0.00 57.72 57.19 2yry n HIS 92 Cb 0.54 -0.01 -0.05 0.00 -0.00 0.00 0.00 29.99 30.47 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 -0.07 -1.81 0.00 1.57 0.00 -1.26 -4.39 120.51 114.55 2yry n ALA 93 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2yry n ALA 93 Cb 0.05 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 -1.97 0.08 0.43 0.00 0.00 -1.26 -5.05 105.19 97.42 2yry n GLY 94 Ca -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 -3.62 1.61 0.31 -1.26 -5.14 118.33 110.23 2yry n VAL 95 Ca 0.00 0.27 -0.03 0.00 -0.01 0.00 0.00 64.34 64.57 2yry n VAL 95 Cb 0.00 -1.26 -0.01 0.00 -0.91 0.00 0.00 33.84 31.65 2yry n VAL 95 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2yry s ARG 96 N -0.97 0.58 -0.32 5.55 3.52 -1.26 -5.04 118.95 121.01 2yry s ARG 96 Ca 0.00 -0.28 -0.00 0.00 -0.13 0.00 0.00 55.73 55.32 2yry s ARG 96 Cb 0.00 0.23 0.07 0.00 -1.56 0.00 0.00 34.95 33.69 2yry s ARG 96 CO 0.00 -0.26 0.03 0.99 -0.81 0.00 0.00 175.30 175.25 2yry s THR 97 N -2.69 2.79 0.56 4.11 2.01 -1.26 -3.23 115.64 117.93 2yry s THR 97 Ca 0.11 -1.72 -0.05 0.00 0.31 0.00 0.00 61.69 60.33 2yry s THR 97 Cb 0.01 -2.75 -0.00 0.00 0.01 0.00 0.00 72.50 69.77 2yry s THR 97 CO -0.04 -0.29 0.86 -0.31 -0.69 0.00 0.00 174.62 174.15 2yry s TYR 98 N 1.15 3.31 0.12 4.92 2.02 0.90 -4.85 117.35 124.92 2yry s TYR 98 Ca -0.00 0.65 0.07 0.00 -0.37 0.00 0.00 57.07 57.41 2yry s TYR 98 Cb -0.20 -2.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.69 2yry s TYR 98 CO -0.04 -0.69 -0.16 -0.06 -1.57 0.00 0.00 175.55 173.03 2yry s PHE 99 N -2.91 1.56 -0.24 2.71 0.40 -1.26 -0.00 117.98 118.24 2yry s PHE 99 Ca 0.52 -0.50 -0.09 0.00 -0.60 0.00 0.00 56.93 56.26 2yry s PHE 99 Cb -0.10 -0.82 0.10 0.00 0.51 0.00 0.00 43.02 42.70 2yry s PHE 99 CO 0.45 0.19 0.52 -0.06 0.70 0.00 0.00 175.22 177.02 2yry s PHE 100 N -1.83 -0.97 0.26 0.36 0.08 0.38 -4.11 117.98 112.15 2yry s PHE 100 Ca 0.09 1.82 0.04 0.00 0.12 0.00 0.00 56.93 59.00 2yry s PHE 100 Cb -0.07 0.50 -0.03 0.00 -0.57 0.00 0.00 43.02 42.85 2yry s PHE 100 CO 0.04 -0.53 0.41 0.45 -0.10 0.00 0.00 175.22 175.49 2yry s SER 101 N 2.41 6.32 -0.08 1.36 0.15 -1.11 -0.24 113.70 122.51 2yry s SER 101 Ca -0.05 0.18 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 2yry s SER 101 Cb -0.11 -1.91 0.03 0.00 -1.71 0.00 0.00 66.02 62.32 2yry s SER 101 CO -0.16 -0.12 -0.03 0.00 1.20 0.00 0.00 173.24 174.14 2yry s ALA 102 N -2.05 0.89 0.27 5.45 0.00 -0.19 -3.34 121.76 122.79 2yry s ALA 102 Ca 0.36 -0.25 -0.09 0.00 0.00 0.00 0.00 51.96 51.98 2yry s ALA 102 Cb -0.09 -0.76 0.43 0.00 0.00 0.00 0.00 23.12 22.70 2yry s ALA 102 CO 0.31 -0.40 1.55 0.39 0.00 0.00 0.00 175.76 177.61 2yry n GLU 103 N 4.97 -0.10 -4.35 0.00 1.02 -1.26 -4.47 120.64 116.45 2yry n GLU 103 Ca -0.11 1.55 -0.25 0.00 -0.02 0.00 0.00 57.16 58.33 2yry n GLU 103 Cb 0.50 -2.31 -0.09 0.00 -0.02 0.00 0.00 31.44 29.52 2yry n GLU 103 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yry s SER 104 N -5.27 4.09 0.55 1.62 0.01 -1.26 -4.97 113.70 108.47 2yry s SER 104 Ca -0.15 -0.73 0.34 0.00 1.31 0.00 0.00 55.95 56.72 2yry s SER 104 Cb 0.26 -0.61 1.41 0.00 0.21 0.00 0.00 66.02 67.29 2yry s SER 104 CO 0.77 0.06 2.00 1.55 0.41 0.00 0.00 173.24 178.03 2yry h PRO 105 N 2.53 0.00 -0.02 12.44 0.13 -1.92 -2.85 132.00 142.31 2yry h PRO 105 Ca -0.45 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 2yry h PRO 105 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2yry h PRO 105 CO 0.56 0.00 -0.82 0.93 -0.23 0.00 0.00 178.00 178.44 2yry h GLU 106 N 0.00 0.24 -0.03 0.86 4.39 -1.95 -3.07 114.58 115.03 2yry h GLU 106 Ca 0.00 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 2yry h GLU 106 Cb 0.49 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2yry h GLU 106 CO 0.00 0.94 -0.08 0.93 -1.16 0.00 0.00 179.01 179.63 2yry h GLU 107 N 0.15 0.10 0.09 2.33 5.08 -1.88 -2.37 114.58 118.08 2yry h GLU 107 Ca -0.04 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2yry h GLU 107 Cb 1.42 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.63 2yry h GLU 107 CO 0.13 0.70 -0.46 0.37 -1.00 0.00 0.00 179.01 178.75 2yry h GLN 108 N -0.47 -0.65 -0.22 2.33 4.15 -1.62 0.28 115.11 118.91 2yry h GLN 108 Ca -0.00 0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.50 2yry h GLN 108 Cb 0.71 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.51 2yry h GLN 108 CO 0.02 -0.44 -0.04 1.05 -1.93 0.00 0.00 178.83 177.49 2yry h GLU 109 N -0.68 0.02 -0.71 1.69 4.11 -1.64 -1.12 114.58 116.24 2yry h GLU 109 Ca 0.02 -0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.53 2yry h GLU 109 Cb 0.71 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 2yry h GLU 109 CO -0.28 0.01 0.37 0.00 0.07 0.00 0.00 179.01 179.18 2yry h ALA 110 N 1.21 0.98 0.79 1.06 0.00 -0.99 -2.68 119.26 119.64 2yry h ALA 110 Ca 0.10 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2yry h ALA 110 Cb 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.89 2yry h ALA 110 CO -0.21 -0.02 -0.38 -1.49 0.00 0.00 0.00 179.25 177.15 2yry h TRP 111 N 0.63 -0.98 -1.13 0.00 4.06 0.19 -2.77 115.95 115.94 2yry h TRP 111 Ca 0.35 -0.02 0.41 0.00 2.06 0.00 0.00 58.89 61.68 2yry h TRP 111 Cb 0.34 0.33 -0.16 0.00 -1.00 0.00 0.00 29.16 28.67 2yry h TRP 111 CO -0.10 -0.60 0.67 0.82 -3.56 0.00 0.00 178.44 175.67 2yry h ILE 112 N -1.12 0.09 -0.61 1.49 2.04 -0.97 0.85 117.51 119.28 2yry h ILE 112 Ca -0.11 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 65.79 2yry h ILE 112 Cb 0.82 -0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 2yry h ILE 112 CO 0.18 0.02 0.31 1.56 0.00 0.00 0.00 178.15 180.21 2yry h GLN 113 N 0.09 0.55 0.07 2.37 4.20 -1.18 1.45 115.11 122.65 2yry h GLN 113 Ca 0.82 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 59.38 2yry h GLN 113 Cb 2.29 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 29.95 2yry h GLN 113 CO -0.61 0.36 -0.55 0.00 -0.67 0.00 0.00 178.83 177.36 2yry h ALA 114 N 1.35 -0.01 0.39 3.87 0.00 0.54 -3.19 119.26 122.20 2yry h ALA 114 Ca 0.28 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2yry h ALA 114 Cb 0.23 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2yry h ALA 114 CO -0.21 0.27 -0.19 0.52 0.00 0.00 0.00 179.25 179.65 2yry h MET 115 N -0.66 -0.50 -0.93 0.00 2.86 -0.56 0.75 114.93 115.88 2yry h MET 115 Ca -0.11 0.03 0.27 0.00 -2.06 0.00 0.00 59.70 57.84 2yry h MET 115 Cb 1.37 0.11 -0.16 0.00 0.06 0.00 0.00 31.60 32.98 2yry h MET 115 CO 0.06 -0.33 0.21 0.78 1.06 0.00 0.00 176.91 178.68 2yry h GLY 116 N -0.82 1.45 0.28 8.32 0.00 0.18 0.46 103.07 112.93 2yry h GLY 116 Ca -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2yry h GLY 116 CO 0.09 -0.48 -0.13 0.83 0.00 0.00 0.00 176.54 176.84 2yry h GLU 117 N 0.11 -0.36 -1.27 4.80 4.39 -1.55 -3.14 114.58 117.56 2yry h GLU 117 Ca 0.61 0.02 0.37 0.00 0.34 0.00 0.00 59.36 60.70 2yry h GLU 117 Cb 1.31 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 30.00 2yry h GLU 117 CO -0.76 -0.24 0.92 0.00 -1.16 0.00 0.00 179.01 177.77 2yry h ALA 118 N -1.29 3.20 -0.30 3.43 0.00 -0.23 0.31 119.26 124.39 2yry h ALA 118 Ca -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2yry h ALA 118 Cb 0.29 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2yry h ALA 118 CO 0.06 -1.57 -0.00 0.00 0.00 0.00 0.00 179.25 177.74 2yry h ALA 119 N 1.35 0.40 -0.73 0.00 0.00 -0.13 -3.37 119.26 116.77 2yry h ALA 119 Ca 0.60 -0.23 -0.58 0.00 0.00 0.00 0.00 54.91 54.70 2yry h ALA 119 Cb 2.44 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 20.16 2yry h ALA 119 CO -0.01 0.15 0.07 0.54 0.00 0.00 0.00 179.25 180.00 2yry n ARG 120 N -4.57 0.00 0.02 0.00 1.74 0.11 -3.80 116.66 110.16 2yry n ARG 120 Ca -0.03 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.16 2yry n ARG 120 Cb 0.26 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 2yry n ARG 120 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2yry n VAL 121 N 1.20 0.11 1.19 1.55 3.14 -1.25 -4.89 118.33 119.38 2yry n VAL 121 Ca 0.15 -0.20 0.13 0.00 -2.96 0.00 0.00 64.34 61.46 2yry n VAL 121 Cb 0.05 0.33 0.26 0.00 -1.06 0.00 0.00 33.84 33.43 2yry n VAL 121 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04