#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 4.02 0.02 1.61 0.15 -1.26 -5.07 113.70 113.17 2yry s SER 2 Ca 0.00 -3.15 -0.28 0.00 0.70 0.00 0.00 55.95 53.22 2yry s SER 2 Cb 0.00 -1.35 0.08 0.00 -1.71 0.00 0.00 66.02 63.03 2yry s SER 2 CO 0.00 -0.19 0.68 -0.55 1.20 0.00 0.00 173.24 174.38 2yry s SER 3 N -0.41 -0.60 0.64 5.45 0.15 -1.26 -5.18 113.70 112.50 2yry s SER 3 Ca 0.21 0.42 -0.02 0.00 0.70 0.00 0.00 55.95 57.26 2yry s SER 3 Cb -0.17 0.54 0.08 0.00 -1.71 0.00 0.00 66.02 64.76 2yry s SER 3 CO -0.06 -0.72 0.54 0.61 1.20 0.00 0.00 173.24 174.81 2yry n GLY 4 N 0.40 0.33 2.95 9.45 0.00 -1.26 -5.12 105.19 111.95 2yry n GLY 4 Ca -0.17 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.15 0.04 -0.08 1.61 1.04 -1.26 -5.12 113.70 106.78 2yry s SER 5 Ca 0.35 0.40 -0.30 0.00 0.48 0.00 0.00 55.95 56.88 2yry s SER 5 Cb -0.02 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 2yry s SER 5 CO 0.23 -0.18 1.60 -0.44 0.98 0.00 0.00 173.24 175.43 2yry s SER 6 N 1.52 6.69 0.42 7.02 0.01 -1.26 -4.98 113.70 123.12 2yry s SER 6 Ca -0.06 2.13 -0.24 0.00 1.31 0.00 0.00 55.95 59.09 2yry s SER 6 Cb -0.11 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.50 2yry s SER 6 CO -0.07 -0.92 1.09 -0.83 0.41 0.00 0.00 173.24 172.92 2yry s GLY 7 N 3.22 2.75 -0.14 3.44 0.00 -1.26 -5.00 107.32 110.34 2yry s GLY 7 Ca 0.71 0.78 -0.14 0.00 0.00 0.00 0.00 44.72 46.07 2yry s GLY 7 CO 0.27 1.23 -0.28 0.61 0.00 0.00 0.00 173.10 174.93 2yry n GLY 8 N 0.38 -0.49 3.55 0.20 0.00 -1.26 -5.10 105.19 102.46 2yry n GLY 8 Ca 0.06 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.59 0.64 -0.10 1.61 0.00 -1.26 -5.09 119.74 112.94 2yry s LYS 9 Ca -0.23 -0.04 -0.05 0.00 0.00 0.00 0.00 55.97 55.66 2yry s LYS 9 Cb 0.03 0.30 -0.02 0.00 0.00 0.00 0.00 37.83 38.14 2yry s LYS 9 CO 0.34 -0.24 -0.09 0.00 0.00 0.00 0.00 175.35 175.37 2yry h ARG 10 N 2.30 0.00 -1.10 1.78 3.08 -2.06 -3.48 114.38 114.90 2yry h ARG 10 Ca -0.19 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.02 2yry h ARG 10 Cb 1.19 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.02 2yry h ARG 10 CO 0.30 0.00 0.07 -1.54 -1.07 0.00 0.00 179.97 177.73 2yry s SER 11 N -5.29 -0.79 0.03 7.04 1.04 -1.26 -5.17 113.70 109.30 2yry s SER 11 Ca -0.07 0.88 0.01 0.00 0.48 0.00 0.00 55.95 57.25 2yry s SER 11 Cb 0.01 1.82 -0.04 0.00 0.10 0.00 0.00 66.02 67.91 2yry s SER 11 CO 0.11 -0.15 0.08 -1.00 0.98 0.00 0.00 173.24 173.26 2yry s HIS 12 N 2.68 3.24 0.45 5.02 3.76 -1.26 -5.11 115.29 124.08 2yry s HIS 12 Ca 0.00 0.14 -0.19 0.00 -0.15 0.00 0.00 55.06 54.87 2yry s HIS 12 Cb -0.09 -1.68 -0.10 0.00 1.11 0.00 0.00 32.58 31.82 2yry s HIS 12 CO -0.17 0.53 0.94 -1.54 -0.85 0.00 0.00 174.74 173.65 2yry s SER 13 N -2.02 6.81 0.46 1.40 1.04 -1.26 -5.08 113.70 115.04 2yry s SER 13 Ca 0.26 1.60 0.06 0.00 0.48 0.00 0.00 55.95 58.35 2yry s SER 13 Cb -0.12 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 2yry s SER 13 CO 0.18 -0.43 0.25 -0.04 0.98 0.00 0.00 173.24 174.18 2yry s MET 14 N -3.50 2.27 0.00 4.02 -1.94 -1.26 -5.15 119.30 113.74 2yry s MET 14 Ca 0.60 -1.91 -0.05 0.00 -1.71 0.00 0.00 55.69 52.61 2yry s MET 14 Cb -0.09 -2.02 -0.00 0.00 2.01 0.00 0.00 34.83 34.73 2yry s MET 14 CO 0.20 -0.30 0.10 0.21 -0.01 0.00 0.00 175.02 175.23 2yry s LYS 15 N -4.04 0.40 0.01 2.03 2.47 -1.26 -4.95 119.74 114.41 2yry s LYS 15 Ca 0.36 -0.38 0.03 0.00 -1.56 0.00 0.00 55.97 54.43 2yry s LYS 15 Cb 0.01 0.16 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 2yry s LYS 15 CO 0.21 -0.09 -0.04 0.50 0.16 0.00 0.00 175.35 176.09 2yry s ARG 16 N -1.22 2.62 -0.07 4.03 3.52 -1.26 -5.11 118.95 121.45 2yry s ARG 16 Ca -0.13 -0.71 -0.03 0.00 -0.13 0.00 0.00 55.73 54.74 2yry s ARG 16 Cb -0.07 -2.56 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 2yry s ARG 16 CO 0.01 0.60 0.05 -0.80 -0.81 0.00 0.00 175.30 174.35 2yry s ASN 17 N -1.58 5.61 0.11 -2.12 0.01 -1.26 -5.02 114.94 110.69 2yry s ASN 17 Ca 0.19 0.21 -0.14 0.00 -0.71 0.00 0.00 52.86 52.42 2yry s ASN 17 Cb -0.11 -1.65 -0.07 0.00 0.41 0.00 0.00 41.25 39.83 2yry s ASN 17 CO 0.10 0.35 1.44 1.55 -1.51 0.00 0.00 177.10 179.03 2yry h PRO 18 N 4.81 0.78 -0.97 -0.60 0.13 -2.03 -3.17 132.00 130.95 2yry h PRO 18 Ca -0.51 -0.41 0.04 0.00 -0.87 0.00 0.00 66.00 64.24 2yry h PRO 18 Cb 1.20 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2yry h PRO 18 CO 0.57 1.04 0.64 -0.91 -0.23 0.00 0.00 178.00 179.11 2yry h ASN 19 N 0.55 1.06 -1.83 1.44 2.35 -2.07 -3.43 115.58 113.65 2yry h ASN 19 Ca 0.05 -0.01 -0.66 0.00 -0.55 0.00 0.00 56.30 55.13 2yry h ASN 19 Cb 0.90 -0.24 0.06 0.00 0.05 0.00 0.00 38.32 39.08 2yry h ASN 19 CO 0.08 0.73 0.47 0.00 -1.65 0.00 0.00 177.43 177.06 2yry n ALA 20 N -2.37 -0.57 -2.02 -0.83 0.00 -1.20 -4.89 120.51 108.64 2yry n ALA 20 Ca 0.13 0.50 -0.41 0.00 0.00 0.00 0.00 53.44 53.65 2yry n ALA 20 Cb 0.09 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 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 0.38 4.39 -0.19 0.00 0.04 -1.26 -4.94 135.00 133.42 2yry s PRO 21 Ca 0.81 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.61 2yry s PRO 21 Cb -0.89 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.42 2yry s PRO 21 CO 0.46 -0.25 1.64 0.08 0.04 0.00 0.00 177.00 178.97 2yry s VAL 22 N 0.15 3.66 0.01 -0.36 1.01 -1.26 -4.49 120.40 119.11 2yry s VAL 22 Ca 0.57 0.75 -0.24 0.00 0.00 0.00 0.00 61.98 63.06 2yry s VAL 22 Cb -0.36 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.25 2yry s VAL 22 CO 0.38 -0.24 1.02 0.74 0.00 0.00 0.00 175.10 177.01 2yry h THR 23 N 6.05 0.00 -3.20 3.92 2.02 0.07 -3.47 112.91 118.30 2yry h THR 23 Ca -0.35 -0.32 -0.14 0.00 0.77 0.00 0.00 66.41 66.37 2yry h THR 23 Cb 1.16 0.00 -0.22 0.00 -1.74 0.00 0.00 68.15 67.35 2yry h THR 23 CO 0.99 0.00 -0.39 -0.75 0.37 0.00 0.00 175.52 175.74 2yry s LYS 24 N -4.39 0.46 -0.03 6.66 2.20 -1.15 -4.98 119.74 118.52 2yry s LYS 24 Ca -0.13 -0.03 -0.01 0.00 -0.36 0.00 0.00 55.97 55.45 2yry s LYS 24 Cb 0.01 0.21 0.03 0.00 -1.51 0.00 0.00 37.83 36.57 2yry s LYS 24 CO 0.38 -0.10 0.04 0.00 -0.36 0.00 0.00 175.35 175.31 2yry s ALA 25 N -0.74 0.09 -0.21 3.13 0.00 -1.26 0.00 121.76 122.77 2yry s ALA 25 Ca -0.08 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.89 2yry s ALA 25 Cb -0.04 -0.34 0.14 0.00 0.00 0.00 0.00 23.12 22.88 2yry s ALA 25 CO 0.02 -0.19 1.10 0.20 0.00 0.00 0.00 175.76 176.88 2yry s GLY 26 N 1.32 -0.15 -0.29 0.00 0.00 -0.99 -5.04 107.32 102.17 2yry s GLY 26 Ca -0.06 2.36 -0.29 0.00 0.00 0.00 0.00 44.72 46.73 2yry s GLY 26 CO -0.03 1.21 1.51 -0.98 0.00 0.00 0.00 173.10 174.81 2yry s TRP 27 N -0.84 2.29 0.44 1.90 0.52 -1.26 -2.63 118.94 119.35 2yry s TRP 27 Ca 0.01 0.67 0.06 0.00 0.02 0.00 0.00 56.10 56.86 2yry s TRP 27 Cb -0.01 -4.04 -0.05 0.00 -1.15 0.00 0.00 33.47 28.22 2yry s TRP 27 CO -0.02 -2.42 0.12 -0.51 0.02 0.00 0.00 176.95 174.15 2yry s LEU 28 N 5.22 2.90 -0.18 2.99 1.43 -1.05 -4.89 118.68 125.09 2yry s LEU 28 Ca 0.66 -1.26 -0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2yry s LEU 28 Cb -0.20 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 44.87 2yry s LEU 28 CO 0.29 -0.61 -0.15 -0.36 0.23 0.00 0.00 176.35 175.75 2yry s PHE 29 N -2.69 2.82 -0.30 0.29 0.40 -1.13 -2.09 117.98 115.27 2yry s PHE 29 Ca 0.34 -1.31 -0.07 0.00 -0.60 0.00 0.00 56.93 55.29 2yry s PHE 29 Cb 0.05 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.64 2yry s PHE 29 CO 0.18 -0.65 0.10 0.21 0.70 0.00 0.00 175.22 175.76 2yry s LYS 30 N 1.19 3.07 0.58 0.44 2.20 -0.76 -1.83 119.74 124.63 2yry s LYS 30 Ca 0.02 -0.88 -0.19 0.00 -0.36 0.00 0.00 55.97 54.56 2yry s LYS 30 Cb -0.14 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 2yry s LYS 30 CO -0.07 -0.47 1.07 0.94 -0.36 0.00 0.00 175.35 176.47 2yry n GLN 31 N 4.88 1.09 -3.24 4.03 7.27 -1.26 -1.90 117.38 128.26 2yry n GLN 31 Ca -0.14 0.42 -0.45 0.00 0.07 0.00 0.00 57.00 56.90 2yry n GLN 31 Cb 0.48 -2.27 -0.06 0.00 2.41 0.00 0.00 30.24 30.80 2yry n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2yry s ALA 32 N -1.44 3.51 -0.04 1.69 0.00 -1.23 -4.85 121.76 119.39 2yry s ALA 32 Ca 0.75 -2.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.28 2yry s ALA 32 Cb -0.42 -3.31 -0.19 0.00 0.00 0.00 0.00 23.12 19.20 2yry s ALA 32 CO 0.47 -2.03 1.10 0.77 0.00 0.00 0.00 175.76 176.07 2yry h SER 33 N 8.96 -0.09 -3.89 0.00 0.02 -1.92 -3.40 113.55 113.24 2yry h SER 33 Ca -0.29 -0.47 -0.49 0.00 -0.84 0.00 0.00 61.79 59.71 2yry h SER 33 Cb 1.10 0.02 0.06 0.00 0.14 0.00 0.00 62.40 63.72 2yry h SER 33 CO 1.00 0.46 0.24 -0.44 -1.14 0.00 0.00 176.83 176.95 2yry s SER 34 N -5.62 5.83 0.64 3.07 0.01 -1.26 -4.90 113.70 111.47 2yry s SER 34 Ca -0.15 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.06 2yry s SER 34 Cb 0.01 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2yry s SER 34 CO 0.61 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2yry n GLY 35 N -2.60 2.29 3.63 3.44 0.00 -1.26 -4.67 105.19 106.01 2yry n GLY 35 Ca 0.04 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 2yry n GLY 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2yry n VAL 36 N 0.00 0.00 -3.82 1.61 3.14 -1.26 -4.99 118.33 113.01 2yry n VAL 36 Ca 0.00 -0.05 -0.35 0.00 -2.96 0.00 0.00 64.34 60.98 2yry n VAL 36 Cb 0.00 -0.96 -0.12 0.00 -1.06 0.00 0.00 33.84 31.70 2yry n VAL 36 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2yry s LYS 37 N -4.51 2.01 -0.28 1.45 -2.85 -1.26 -4.61 119.74 109.69 2yry s LYS 37 Ca 0.66 -2.02 -0.18 0.00 -1.00 0.00 0.00 55.97 53.43 2yry s LYS 37 Cb -0.23 -3.53 0.09 0.00 -2.06 0.00 0.00 37.83 32.10 2yry s LYS 37 CO 0.59 -1.07 0.74 1.14 0.10 0.00 0.00 175.35 176.85 2yry s GLN 38 N 0.77 0.69 -0.08 1.78 -2.07 -1.26 -4.96 119.66 114.53 2yry s GLN 38 Ca 0.11 1.10 -0.30 0.00 -1.82 0.00 0.00 55.36 54.44 2yry s GLN 38 Cb -0.22 0.19 -0.08 0.00 -1.09 0.00 0.00 33.01 31.81 2yry s GLN 38 CO -0.04 -0.13 2.06 0.91 -1.32 0.00 0.00 175.29 176.76 2yry n TRP 39 N 3.85 2.26 -3.33 9.60 7.02 -1.26 -3.54 117.44 132.05 2yry n TRP 39 Ca -0.18 -0.21 -0.40 0.00 -1.02 0.00 0.00 57.50 55.68 2yry n TRP 39 Cb 0.58 -2.75 -0.09 0.00 -2.42 0.00 0.00 31.31 26.64 2yry n TRP 39 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2yry s ASN 40 N 5.83 6.27 -0.35 -0.99 -0.87 -0.80 -4.86 114.94 119.17 2yry s ASN 40 Ca 0.95 0.07 -0.29 0.00 -1.57 0.00 0.00 52.86 52.01 2yry s ASN 40 Cb -0.46 -2.23 0.01 0.00 -0.02 0.00 0.00 41.25 38.55 2yry s ASN 40 CO 0.42 -0.34 1.19 -0.75 -2.57 0.00 0.00 177.10 175.06 2yry s LYS 41 N 2.19 3.91 0.11 -0.60 2.20 -1.26 -1.83 119.74 124.46 2yry s LYS 41 Ca 0.16 1.03 0.03 0.00 -0.36 0.00 0.00 55.97 56.82 2yry s LYS 41 Cb -0.16 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.28 2yry s LYS 41 CO 0.11 -1.12 -0.08 1.03 -0.36 0.00 0.00 175.35 174.93 2yry s ARG 42 N 4.09 0.91 -0.29 4.03 1.81 -0.89 -5.02 118.95 123.58 2yry s ARG 42 Ca 0.51 -1.37 -0.29 0.00 -1.72 0.00 0.00 55.73 52.86 2yry s ARG 42 Cb -0.13 -0.34 0.01 0.00 -0.45 0.00 0.00 34.95 34.04 2yry s ARG 42 CO 0.23 0.01 1.18 -0.46 -0.68 0.00 0.00 175.30 175.58 2yry s TRP 43 N -3.53 2.94 0.01 -0.53 -0.00 -1.01 -2.52 118.94 114.31 2yry s TRP 43 Ca 0.13 1.05 -0.02 0.00 -0.00 0.00 0.00 56.10 57.27 2yry s TRP 43 Cb 0.04 -3.75 -0.04 0.00 -0.00 0.00 0.00 33.47 29.72 2yry s TRP 43 CO -0.03 -1.22 0.18 -0.06 -0.00 0.00 0.00 176.95 175.82 2yry s PHE 44 N 3.90 3.51 -0.11 5.86 0.40 -1.08 0.10 117.98 130.56 2yry s PHE 44 Ca 0.50 0.31 -0.10 0.00 -0.60 0.00 0.00 56.93 57.04 2yry s PHE 44 Cb -0.15 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.62 2yry s PHE 44 CO 0.18 0.62 0.30 0.08 0.70 0.00 0.00 175.22 177.10 2yry s VAL 45 N -1.37 -0.01 -0.29 -0.44 1.01 0.21 -2.36 120.40 117.15 2yry s VAL 45 Ca 0.29 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 2yry s VAL 45 Cb -0.13 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.85 2yry s VAL 45 CO 0.21 0.01 0.04 -0.22 0.00 0.00 0.00 175.10 175.14 2yry s LEU 46 N 0.37 3.80 -0.04 3.92 2.96 0.10 -0.01 118.68 129.79 2yry s LEU 46 Ca -0.02 -0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 52.96 2yry s LEU 46 Cb -0.03 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.87 2yry s LEU 46 CO -0.02 -0.21 0.09 -0.69 -1.32 0.00 0.00 176.35 174.20 2yry s VAL 47 N 1.41 -0.02 -1.18 1.68 1.01 0.15 0.84 120.40 124.29 2yry s VAL 47 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 2yry s VAL 47 Cb -0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 2yry s VAL 47 CO 0.00 0.03 0.88 -0.67 0.00 0.00 0.00 175.10 175.34 2yry n ASP 48 N 3.44 -3.35 -2.13 3.32 2.03 -1.26 -1.44 116.55 117.14 2yry n ASP 48 Ca -0.17 -0.73 -0.06 0.00 0.52 0.00 0.00 54.79 54.34 2yry n ASP 48 Cb 0.57 -4.71 -0.01 0.00 -0.72 0.00 0.00 41.12 36.25 2yry n ASP 48 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2yry n ARG 49 N -3.93 -2.23 -4.11 -0.67 0.63 -1.26 -4.89 116.66 100.20 2yry n ARG 49 Ca -0.22 0.31 -0.15 0.00 -0.92 0.00 0.00 57.85 56.87 2yry n ARG 49 Cb 0.65 -4.74 -0.12 0.00 0.45 0.00 0.00 32.46 28.70 2yry n ARG 49 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2yry s LEU 51 N -1.57 4.36 -0.06 0.00 0.20 -1.17 -0.68 118.68 119.76 2yry s LEU 51 Ca -0.07 0.50 -0.02 0.00 0.69 0.00 0.00 54.13 55.24 2yry s LEU 51 Cb -0.10 -2.18 0.03 0.00 -0.43 0.00 0.00 46.19 43.51 2yry s LEU 51 CO 0.01 0.32 0.03 -0.36 -0.29 0.00 0.00 176.35 176.07 2yry s PHE 52 N -0.63 0.34 -0.24 5.38 0.08 0.99 -2.97 117.98 120.92 2yry s PHE 52 Ca 0.15 0.05 -0.08 0.00 0.12 0.00 0.00 56.93 57.18 2yry s PHE 52 Cb -0.13 -0.63 -0.03 0.00 -0.57 0.00 0.00 43.02 41.66 2yry s PHE 52 CO 0.04 -0.26 0.09 1.52 -0.10 0.00 0.00 175.22 176.51 2yry s TYR 53 N 2.08 3.13 0.31 0.36 -0.85 -1.24 -0.62 117.35 120.52 2yry s TYR 53 Ca 0.05 -0.24 0.07 0.00 -0.52 0.00 0.00 57.07 56.43 2yry s TYR 53 Cb -0.12 -2.23 -0.02 0.00 0.38 0.00 0.00 41.96 39.96 2yry s TYR 53 CO -0.04 -0.24 0.33 0.71 -1.52 0.00 0.00 175.55 174.80 2yry s TYR 54 N 1.42 3.06 0.44 -3.49 1.51 0.12 -3.23 117.35 117.17 2yry s TYR 54 Ca 0.06 -0.21 0.10 0.00 -1.01 0.00 0.00 57.07 56.01 2yry s TYR 54 Cb -0.15 -1.76 0.96 0.00 -0.11 0.00 0.00 41.96 40.91 2yry s TYR 54 CO 0.05 0.22 2.05 1.57 -1.11 0.00 0.00 175.55 178.32 2yry h LYS 55 N 1.18 0.29 0.00 -0.62 2.10 -1.85 -2.66 116.57 115.01 2yry h LYS 55 Ca -0.46 -0.03 0.01 0.00 -2.00 0.00 0.00 60.65 58.17 2yry h LYS 55 Cb 1.25 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2yry h LYS 55 CO 0.57 0.25 0.22 -3.47 -2.00 0.00 0.00 179.45 175.03 2yry n ASP 56 N -4.44 -1.34 0.19 7.07 2.03 -1.26 -4.51 116.55 114.29 2yry n ASP 56 Ca 0.00 -1.88 0.09 0.00 0.52 0.00 0.00 54.79 53.52 2yry n ASP 56 Cb 0.13 2.22 0.63 0.00 -0.72 0.00 0.00 41.12 43.38 2yry n ASP 56 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2yry h GLU 57 N 0.00 0.06 -1.15 -0.67 4.11 -1.94 -1.98 114.58 113.00 2yry h GLU 57 Ca -0.20 -0.00 0.32 0.00 0.07 0.00 0.00 59.36 59.55 2yry h GLU 57 Cb 0.76 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.91 2yry h GLU 57 CO 0.25 0.04 0.77 0.87 0.07 0.00 0.00 179.01 181.01 2yry h LYS 58 N 0.06 0.21 -6.16 1.06 1.79 -1.98 -3.45 116.57 108.09 2yry h LYS 58 Ca 0.05 -0.01 -0.44 0.00 -2.18 0.00 0.00 60.65 58.07 2yry h LYS 58 Cb 0.14 -0.05 0.02 0.00 -1.58 0.00 0.00 32.23 30.77 2yry h LYS 58 CO -0.01 0.14 -0.80 0.39 -1.08 0.00 0.00 179.45 178.09 2yry n GLU 59 N -4.49 -5.20 0.52 3.15 1.02 -0.74 -4.91 120.64 110.00 2yry n GLU 59 Ca 0.28 0.61 -0.20 0.00 -0.02 0.00 0.00 57.16 57.83 2yry n GLU 59 Cb 1.11 -5.30 -0.10 0.00 -0.02 0.00 0.00 31.44 27.13 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 -1.97 -1.29 -3.02 3.49 4.39 -1.87 -3.46 114.58 110.86 2yry h GLU 60 Ca -0.60 0.09 -0.14 0.00 0.34 0.00 0.00 59.36 59.04 2yry h GLU 60 Cb 1.37 0.29 -0.24 0.00 -0.10 0.00 0.00 28.75 30.07 2yry h GLU 60 CO 0.60 -0.86 -0.35 0.45 -1.16 0.00 0.00 179.01 177.69 2yry s SER 61 N -4.00 -0.29 0.07 1.42 0.15 -1.26 -5.13 113.70 104.66 2yry s SER 61 Ca -0.19 0.51 -0.31 0.00 0.70 0.00 0.00 55.95 56.66 2yry s SER 61 Cb 0.02 0.57 -0.08 0.00 -1.71 0.00 0.00 66.02 64.82 2yry s SER 61 CO 0.58 -0.16 1.55 -0.63 1.20 0.00 0.00 173.24 175.78 2yry s ILE 62 N -0.10 3.16 0.01 6.45 1.01 -1.26 -4.59 121.20 125.88 2yry s ILE 62 Ca -0.02 0.68 -0.11 0.00 0.00 0.00 0.00 60.65 61.20 2yry s ILE 62 Cb -0.03 -3.44 -0.32 0.00 0.01 0.00 0.00 42.46 38.69 2yry s ILE 62 CO 0.01 0.01 0.89 -0.07 0.00 0.00 0.00 174.94 175.78 2yry h LEU 63 N 8.00 0.65 -7.07 2.97 3.38 -1.94 -3.48 115.31 117.82 2yry h LEU 63 Ca -0.41 -0.80 -0.06 0.00 0.09 0.00 0.00 57.88 56.70 2yry h LEU 63 Cb 1.20 -0.21 -0.22 0.00 0.09 0.00 0.00 40.66 41.52 2yry h LEU 63 CO 0.91 1.65 0.04 -0.83 0.09 0.00 0.00 178.44 180.30 2yry s GLY 64 N -4.84 -0.49 -0.02 0.83 0.00 -1.26 -5.09 107.32 96.45 2yry s GLY 64 Ca -0.11 1.84 0.04 0.00 0.00 0.00 0.00 44.72 46.50 2yry s GLY 64 CO 0.89 1.60 -0.14 -1.35 0.00 0.00 0.00 173.10 174.10 2yry s SER 65 N 0.38 4.03 -0.04 1.64 1.04 -1.26 -3.64 113.70 115.86 2yry s SER 65 Ca -0.00 -0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 2yry s SER 65 Cb -0.05 -0.82 0.03 0.00 0.10 0.00 0.00 66.02 65.29 2yry s SER 65 CO 0.00 0.32 0.05 -0.63 0.98 0.00 0.00 173.24 173.96 2yry s ILE 66 N -0.80 -0.07 0.00 -1.02 1.01 -1.16 -4.90 121.20 114.27 2yry s ILE 66 Ca 0.13 0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 2yry s ILE 66 Cb -0.11 -0.16 -0.06 0.00 0.01 0.00 0.00 42.46 42.15 2yry s ILE 66 CO 0.02 0.17 1.45 -2.16 0.00 0.00 0.00 174.94 174.42 2yry s PRO 67 N 1.91 4.26 -0.02 2.79 0.04 -1.26 -3.06 135.00 139.66 2yry s PRO 67 Ca 0.02 2.03 0.18 0.00 0.04 0.00 0.00 61.00 63.27 2yry s PRO 67 Cb -0.12 -3.61 -0.21 0.00 0.04 0.00 0.00 34.50 30.60 2yry s PRO 67 CO -0.03 -0.62 0.56 1.28 0.04 0.00 0.00 177.00 178.22 2yry n LEU 68 N 5.57 0.46 0.00 -3.56 4.77 -1.26 -4.05 117.00 118.93 2yry n LEU 68 Ca 0.14 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2yry n LEU 68 Cb 0.43 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2yry n LEU 68 CO 0.59 0.20 0.50 0.00 -1.33 0.00 0.00 177.39 177.35 2yry n LEU 69 N -2.72 0.00 -0.57 2.23 -0.00 -1.25 -0.31 117.00 114.39 2yry n LEU 69 Ca -0.14 0.47 0.06 0.00 -0.00 0.00 0.00 56.01 56.39 2yry n LEU 69 Cb 0.86 -0.47 0.19 0.00 -0.00 0.00 0.00 43.42 44.00 2yry n LEU 69 CO 0.44 -0.47 0.52 -0.24 -0.00 0.00 0.00 177.39 177.64 2yry n SER 70 N -1.47 2.27 -4.12 1.45 2.88 -1.26 -4.55 113.62 108.83 2yry n SER 70 Ca 0.00 -3.54 -0.09 0.00 -1.33 0.00 0.00 58.87 53.91 2yry n SER 70 Cb 0.03 -0.52 -0.10 0.00 -0.75 0.00 0.00 64.21 62.87 2yry n SER 70 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2yry s PHE 71 N -3.09 0.71 -0.77 0.66 0.40 0.58 -4.24 117.98 112.23 2yry s PHE 71 Ca 0.38 -0.94 0.03 0.00 -0.60 0.00 0.00 56.93 55.80 2yry s PHE 71 Cb 0.35 -0.45 0.22 0.00 0.51 0.00 0.00 43.02 43.65 2yry s PHE 71 CO -0.01 -0.24 0.73 2.89 0.70 0.00 0.00 175.22 179.29 2yry n ARG 72 N 0.17 2.48 -1.51 0.44 1.85 0.13 -4.29 116.66 115.93 2yry n ARG 72 Ca -0.14 -4.56 -0.41 0.00 -1.00 0.00 0.00 57.85 51.75 2yry n ARG 72 Cb 0.60 -2.33 0.02 0.00 -1.05 0.00 0.00 32.46 29.70 2yry n ARG 72 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2yry n VAL 73 N 1.63 2.17 -3.59 8.89 0.31 -1.26 -4.20 118.33 122.28 2yry n VAL 73 Ca 0.24 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 64.02 2yry n VAL 73 Cb 0.37 -0.77 -0.03 0.00 -0.91 0.00 0.00 33.84 32.50 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 -1.47 -2.04 0.90 3.52 0.00 -1.08 -4.88 121.76 116.71 2yry s ALA 74 Ca 0.65 1.61 -0.11 0.00 0.00 0.00 0.00 51.96 54.11 2yry s ALA 74 Cb -0.55 -0.43 0.13 0.00 0.00 0.00 0.00 23.12 22.27 2yry s ALA 74 CO 0.56 -0.49 1.09 0.00 0.00 0.00 0.00 175.76 176.93 2yry s ALA 75 N -2.00 1.46 0.80 0.00 0.00 -1.26 -0.73 121.76 120.03 2yry s ALA 75 Ca 0.07 0.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 2yry s ALA 75 Cb -0.01 -3.26 0.07 0.00 0.00 0.00 0.00 23.12 19.93 2yry s ALA 75 CO -0.05 -2.46 1.14 0.14 0.00 0.00 0.00 175.76 174.53 2yry s VAL 76 N -2.83 2.54 0.26 0.00 -7.23 -0.40 -4.61 120.40 108.13 2yry s VAL 76 Ca 0.64 0.17 0.10 0.00 -1.81 0.00 0.00 61.98 61.08 2yry s VAL 76 Cb -0.19 -3.08 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 2yry s VAL 76 CO 0.58 -0.23 -0.03 -1.10 -0.31 0.00 0.00 175.10 174.01 2yry s GLN 77 N -5.39 2.21 0.00 4.82 -0.21 -1.26 -5.01 119.66 114.82 2yry s GLN 77 Ca 0.61 -1.44 0.15 0.00 0.02 0.00 0.00 55.36 54.70 2yry s GLN 77 Cb -0.12 -2.12 0.80 0.00 1.00 0.00 0.00 33.01 32.57 2yry s GLN 77 CO 0.51 0.37 1.40 -0.35 -2.12 0.00 0.00 175.29 175.10 2yry n PRO 78 N -0.78 0.28 -0.00 2.91 -0.04 -1.26 -2.02 135.00 134.09 2yry n PRO 78 Ca -0.07 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 2yry n PRO 78 Cb 0.59 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.21 1.05 -4.74 3.54 3.41 -1.26 -5.00 113.62 109.40 2yry n SER 79 Ca 0.08 -0.33 -0.30 0.00 -0.26 0.00 0.00 58.87 58.06 2yry n SER 79 Cb 0.10 1.47 0.12 0.00 -0.26 0.00 0.00 64.21 65.64 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 -3.38 3.79 -0.16 4.04 1.11 -0.85 -4.90 116.67 116.32 2yry s ASP 80 Ca -0.01 1.47 -0.04 0.00 0.18 0.00 0.00 52.55 54.14 2yry s ASP 80 Cb 0.11 -2.16 -0.09 0.00 1.07 0.00 0.00 42.92 41.85 2yry s ASP 80 CO 0.68 -2.44 2.97 -3.20 1.18 0.00 0.00 175.17 174.36 2yry n ASN 81 N -3.75 5.72 -4.04 0.27 2.85 -1.26 -4.80 115.26 110.25 2yry n ASN 81 Ca 0.07 -2.73 -0.32 0.00 -0.11 0.00 0.00 54.58 51.50 2yry n ASN 81 Cb 0.55 -1.29 -0.15 0.00 1.24 0.00 0.00 39.78 40.13 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2yry s ILE 82 N -0.38 1.97 0.12 -1.44 -1.09 -1.26 -4.99 121.20 114.13 2yry s ILE 82 Ca 0.51 -1.42 -0.12 0.00 -2.23 0.00 0.00 60.65 57.38 2yry s ILE 82 Cb 0.28 -2.08 -0.08 0.00 -1.58 0.00 0.00 42.46 39.00 2yry s ILE 82 CO -0.06 0.03 1.42 0.28 -1.23 0.00 0.00 174.94 175.38 2yry h SER 83 N 7.85 0.93 -1.99 3.58 0.02 -1.97 -3.45 113.55 118.51 2yry h SER 83 Ca -0.22 -0.51 -0.22 0.00 -0.84 0.00 0.00 61.79 60.01 2yry h SER 83 Cb 1.06 -0.26 0.13 0.00 0.14 0.00 0.00 62.40 63.46 2yry h SER 83 CO 0.47 1.25 -0.24 0.54 -1.14 0.00 0.00 176.83 177.71 2yry n ARG 84 N -4.09 -2.37 0.00 3.45 1.74 -1.26 -5.02 116.66 109.11 2yry n ARG 84 Ca -0.04 -0.70 -0.00 0.00 -0.77 0.00 0.00 57.85 56.34 2yry n ARG 84 Cb 0.57 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.53 2yry n ARG 84 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2yry n LYS 85 N -1.90 0.01 -1.68 5.56 5.02 -1.26 -4.85 118.16 119.07 2yry n LYS 85 Ca 0.06 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 2yry n LYS 85 Cb 0.35 -0.15 -0.03 0.00 -0.02 0.00 0.00 35.03 35.18 2yry n LYS 85 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2yry n HIS 86 N -2.63 3.04 -4.33 2.13 8.25 -1.26 -4.81 115.22 115.60 2yry n HIS 86 Ca -0.00 -2.41 -0.19 0.00 -0.26 0.00 0.00 57.72 54.85 2yry n HIS 86 Cb 0.01 -2.28 -0.11 0.00 1.12 0.00 0.00 29.99 28.73 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 4.71 1.72 -0.16 1.59 2.01 -1.26 -1.52 115.64 122.73 2yry s THR 87 Ca 0.54 -2.06 -0.10 0.00 0.31 0.00 0.00 61.69 60.38 2yry s THR 87 Cb 0.11 -1.92 0.05 0.00 0.01 0.00 0.00 72.50 70.76 2yry s THR 87 CO 0.03 -0.49 0.39 0.72 -0.69 0.00 0.00 174.62 174.58 2yry s PHE 88 N -2.58 -0.54 0.07 4.92 -0.71 0.31 -1.27 117.98 118.18 2yry s PHE 88 Ca 0.19 1.19 0.09 0.00 -1.04 0.00 0.00 56.93 57.36 2yry s PHE 88 Cb -0.03 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.97 2yry s PHE 88 CO 0.06 -0.31 -0.21 -1.59 -1.34 0.00 0.00 175.22 171.83 2yry s LYS 89 N 1.16 1.85 0.06 1.99 0.00 0.09 -0.70 119.74 124.18 2yry s LYS 89 Ca -0.08 -1.11 0.03 0.00 0.00 0.00 0.00 55.97 54.82 2yry s LYS 89 Cb -0.07 -2.08 -0.04 0.00 0.00 0.00 0.00 37.83 35.64 2yry s LYS 89 CO -0.10 0.51 0.03 0.00 0.00 0.00 0.00 175.35 175.79 2yry s ALA 90 N -0.96 3.40 0.01 0.59 0.00 0.23 -2.64 121.76 122.40 2yry s ALA 90 Ca 0.14 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 2yry s ALA 90 Cb -0.10 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 2yry s ALA 90 CO 0.05 0.70 0.06 -2.00 0.00 0.00 0.00 175.76 174.58 2yry s GLU 91 N -2.11 0.42 -0.01 0.00 2.12 -1.26 -0.21 118.70 117.64 2yry s GLU 91 Ca 0.25 -0.52 0.04 0.00 0.36 0.00 0.00 54.97 55.10 2yry s GLU 91 Cb -0.12 0.17 -0.06 0.00 0.26 0.00 0.00 34.13 34.38 2yry s GLU 91 CO 0.17 -0.09 0.07 1.58 -0.54 0.00 0.00 175.26 176.46 2yry n HIS 92 N 1.44 0.00 -2.38 5.30 -0.00 -1.21 0.18 115.22 118.54 2yry n HIS 92 Ca -0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.45 2yry n HIS 92 Cb 0.56 -0.12 0.02 0.00 -0.00 0.00 0.00 29.99 30.45 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 -1.77 -0.52 0.00 1.57 0.00 -1.26 -4.82 120.51 113.71 2yry n ALA 93 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2yry n ALA 93 Cb 0.24 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.03 0.07 0.68 0.00 0.00 -1.26 -5.04 105.19 98.61 2yry n GLY 94 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 2yry n GLY 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yry n VAL 95 N 0.00 0.45 -3.97 1.61 0.31 -1.26 -5.15 118.33 110.31 2yry n VAL 95 Ca 0.00 0.22 0.01 0.00 -0.01 0.00 0.00 64.34 64.56 2yry n VAL 95 Cb 0.00 -1.40 0.01 0.00 -0.91 0.00 0.00 33.84 31.55 2yry n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yry s ARG 96 N -1.44 0.65 -0.26 5.55 1.70 -1.26 -5.08 118.95 118.81 2yry s ARG 96 Ca -0.03 -0.42 0.01 0.00 -0.47 0.00 0.00 55.73 54.81 2yry s ARG 96 Cb 0.00 0.18 0.07 0.00 -0.57 0.00 0.00 34.95 34.64 2yry s ARG 96 CO 0.05 -0.31 -0.01 0.99 -1.08 0.00 0.00 175.30 174.95 2yry s THR 97 N -2.04 1.46 0.53 4.99 2.01 -1.26 -3.36 115.64 117.97 2yry s THR 97 Ca 0.28 -1.37 -0.16 0.00 0.31 0.00 0.00 61.69 60.74 2yry s THR 97 Cb -0.01 -1.85 -0.07 0.00 0.01 0.00 0.00 72.50 70.57 2yry s THR 97 CO 0.01 -0.28 1.00 -0.31 -0.69 0.00 0.00 174.62 174.35 2yry s TYR 98 N 1.39 3.37 0.14 4.92 2.02 0.70 -4.82 117.35 125.08 2yry s TYR 98 Ca -0.01 1.47 0.10 0.00 -0.37 0.00 0.00 57.07 58.26 2yry s TYR 98 Cb -0.18 -2.83 -0.04 0.00 -0.40 0.00 0.00 41.96 38.51 2yry s TYR 98 CO -0.10 -0.52 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.08 2yry s PHE 99 N -2.61 2.03 -0.21 2.71 0.40 -1.26 0.76 117.98 119.80 2yry s PHE 99 Ca 0.60 -0.41 -0.07 0.00 -0.60 0.00 0.00 56.93 56.45 2yry s PHE 99 Cb -0.11 -1.07 0.10 0.00 0.51 0.00 0.00 43.02 42.45 2yry s PHE 99 CO 0.33 0.32 0.43 -0.06 0.70 0.00 0.00 175.22 176.94 2yry s PHE 100 N -1.39 -0.84 -0.06 0.36 0.08 0.12 -4.01 117.98 112.24 2yry s PHE 100 Ca 0.13 1.53 -0.02 0.00 0.12 0.00 0.00 56.93 58.69 2yry s PHE 100 Cb -0.09 0.32 -0.04 0.00 -0.57 0.00 0.00 43.02 42.65 2yry s PHE 100 CO 0.06 -0.51 0.05 0.45 -0.10 0.00 0.00 175.22 175.17 2yry s SER 101 N 2.63 5.59 -0.08 1.36 0.15 -0.76 -0.53 113.70 122.05 2yry s SER 101 Ca -0.01 0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.87 2yry s SER 101 Cb -0.12 -1.63 -0.01 0.00 -1.71 0.00 0.00 66.02 62.55 2yry s SER 101 CO -0.13 0.35 -0.19 0.00 1.20 0.00 0.00 173.24 174.47 2yry s ALA 102 N -1.02 2.42 0.14 5.45 0.00 -0.57 -2.85 121.76 125.33 2yry s ALA 102 Ca 0.17 -0.97 -0.25 0.00 0.00 0.00 0.00 51.96 50.91 2yry s ALA 102 Cb -0.12 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 2yry s ALA 102 CO 0.07 0.38 1.62 0.93 0.00 0.00 0.00 175.76 178.76 2yry h GLU 103 N 6.19 -0.33 -6.26 0.00 5.08 -1.90 -3.42 114.58 113.93 2yry h GLU 103 Ca -0.31 0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.50 2yry h GLU 103 Cb 1.19 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.42 2yry h GLU 103 CO 0.51 -0.22 -0.63 -1.12 -1.00 0.00 0.00 179.01 176.55 2yry s SER 104 N -4.95 4.85 0.47 1.42 0.01 -1.26 -4.94 113.70 109.30 2yry s SER 104 Ca -0.15 -0.45 0.31 0.00 1.31 0.00 0.00 55.95 56.97 2yry s SER 104 Cb 0.11 -1.04 1.29 0.00 0.21 0.00 0.00 66.02 66.58 2yry s SER 104 CO 0.67 0.04 1.92 1.55 0.41 0.00 0.00 173.24 177.82 2yry h PRO 105 N 2.19 0.00 -0.18 12.44 0.13 -1.91 -2.91 132.00 141.76 2yry h PRO 105 Ca -0.46 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 2yry h PRO 105 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2yry h PRO 105 CO 0.59 0.00 -0.65 0.93 -0.23 0.00 0.00 178.00 178.65 2yry h GLU 106 N 0.00 0.66 0.02 0.86 5.08 -1.96 -2.66 114.58 116.58 2yry h GLU 106 Ca 0.00 -0.47 -0.26 0.00 -1.00 0.00 0.00 59.36 57.63 2yry h GLU 106 Cb 0.45 0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.79 2yry h GLU 106 CO 0.00 1.09 -1.05 0.93 -1.00 0.00 0.00 179.01 178.98 2yry h GLU 107 N 0.48 0.57 0.74 2.33 4.39 -1.92 -2.74 114.58 118.43 2yry h GLU 107 Ca -0.01 -0.65 -0.04 0.00 0.34 0.00 0.00 59.36 59.00 2yry h GLU 107 Cb 1.23 0.19 0.01 0.00 -0.10 0.00 0.00 28.75 30.08 2yry h GLU 107 CO 0.13 1.25 -0.36 0.37 -1.16 0.00 0.00 179.01 179.24 2yry h GLN 108 N 0.31 -0.96 -0.33 2.33 4.15 -1.54 0.11 115.11 119.18 2yry h GLN 108 Ca -0.12 0.07 0.04 0.00 0.77 0.00 0.00 58.65 59.40 2yry h GLN 108 Cb 1.70 0.22 -0.04 0.00 0.21 0.00 0.00 27.48 29.57 2yry h GLN 108 CO 0.20 -0.64 0.12 1.05 -1.93 0.00 0.00 178.83 177.63 2yry h GLU 109 N -1.00 0.26 0.03 1.69 4.11 -1.59 -2.11 114.58 115.97 2yry h GLU 109 Ca -0.10 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.33 2yry h GLU 109 Cb 0.76 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2yry h GLU 109 CO 0.17 0.17 -0.14 0.00 0.07 0.00 0.00 179.01 179.28 2yry h ALA 110 N 1.21 -0.19 -0.78 1.06 0.00 -1.40 -1.82 119.26 117.34 2yry h ALA 110 Ca 0.15 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.20 2yry h ALA 110 Cb 0.11 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 2yry h ALA 110 CO -0.15 -0.64 0.32 -1.49 0.00 0.00 0.00 179.25 177.29 2yry h TRP 111 N -0.25 0.55 -0.69 0.00 4.06 -0.50 0.48 115.95 119.59 2yry h TRP 111 Ca 0.04 0.04 -0.03 0.00 2.06 0.00 0.00 58.89 60.99 2yry h TRP 111 Cb 0.29 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 28.29 2yry h TRP 111 CO -0.18 0.07 0.31 0.82 -3.56 0.00 0.00 178.44 175.90 2yry h ILE 112 N 0.46 1.23 -0.35 1.49 2.04 -0.89 0.25 117.51 121.74 2yry h ILE 112 Ca 0.43 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.68 2yry h ILE 112 Cb 0.66 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 2yry h ILE 112 CO -0.41 0.27 0.10 1.56 0.00 0.00 0.00 178.15 179.68 2yry h GLN 113 N 0.99 0.23 0.02 2.37 4.20 -0.08 1.31 115.11 124.16 2yry h GLN 113 Ca 0.24 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 2yry h GLN 113 Cb 0.13 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2yry h GLN 113 CO -0.03 0.16 -0.01 0.00 -0.67 0.00 0.00 178.83 178.28 2yry h ALA 114 N 1.24 -0.03 0.67 3.87 0.00 -1.21 -3.18 119.26 120.62 2yry h ALA 114 Ca 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2yry h ALA 114 Cb 0.15 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2yry h ALA 114 CO -0.18 -0.09 -0.32 0.52 0.00 0.00 0.00 179.25 179.17 2yry h MET 115 N -0.88 -0.86 -0.98 0.00 2.86 -0.46 -1.59 114.93 113.01 2yry h MET 115 Ca -0.00 0.06 0.18 0.00 -2.06 0.00 0.00 59.70 57.88 2yry h MET 115 Cb 0.74 0.20 -0.18 0.00 0.06 0.00 0.00 31.60 32.42 2yry h MET 115 CO 0.01 -0.57 -0.28 0.41 1.06 0.00 0.00 176.91 177.53 2yry n GLY 116 N -0.88 -1.74 0.42 8.32 0.00 0.45 0.36 105.19 112.12 2yry n GLY 116 Ca -0.11 1.06 -0.16 0.00 0.00 0.00 0.00 46.02 46.81 2yry n GLY 116 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yry h GLU 117 N 0.00 -1.01 -0.53 1.61 5.08 -1.55 -0.68 114.58 117.49 2yry h GLU 117 Ca 0.44 0.07 0.15 0.00 -1.00 0.00 0.00 59.36 59.02 2yry h GLU 117 Cb 0.68 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2yry h GLU 117 CO -1.00 -0.67 0.58 0.00 -1.00 0.00 0.00 179.01 176.92 2yry h ALA 118 N -1.40 2.28 0.06 3.43 0.00 -0.19 0.24 119.26 123.69 2yry h ALA 118 Ca -0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2yry h ALA 118 Cb 0.80 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2yry h ALA 118 CO 0.18 -0.86 -0.48 0.00 0.00 0.00 0.00 179.25 178.09 2yry h ALA 119 N 1.34 -0.03 -2.02 0.00 0.00 0.24 -3.31 119.26 115.49 2yry h ALA 119 Ca 0.25 -0.59 -0.55 0.00 0.00 0.00 0.00 54.91 54.02 2yry h ALA 119 Cb 1.41 0.05 0.23 0.00 0.00 0.00 0.00 17.79 19.49 2yry h ALA 119 CO -0.00 0.23 -1.70 0.54 0.00 0.00 0.00 179.25 178.32 2yry n ARG 120 N -4.33 -0.02 -2.59 0.00 1.74 0.07 -3.89 116.66 107.65 2yry n ARG 120 Ca -0.12 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.85 2yry n ARG 120 Cb 0.66 -1.08 0.03 0.00 -1.02 0.00 0.00 32.46 31.05 2yry n ARG 120 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2yry n VAL 121 N -2.52 1.55 0.32 1.55 0.31 -1.26 -4.83 118.33 113.46 2yry n VAL 121 Ca -0.00 -3.51 0.03 0.00 -0.01 0.00 0.00 64.34 60.84 2yry n VAL 121 Cb 0.55 0.27 0.15 0.00 -0.91 0.00 0.00 33.84 33.90 2yry n VAL 121 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51