#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 -0.38 0.70 1.61 0.01 -1.26 -5.17 113.70 109.22 2yry s SER 2 Ca 0.00 0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2yry s SER 2 Cb 0.00 1.52 0.12 0.00 0.21 0.00 0.00 66.02 67.88 2yry s SER 2 CO 0.00 -0.26 0.97 -0.44 0.41 0.00 0.00 173.24 173.92 2yry s SER 3 N 2.67 4.43 0.00 2.44 0.01 -1.26 -5.07 113.70 116.92 2yry s SER 3 Ca 0.08 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2yry s SER 3 Cb -0.14 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2yry s SER 3 CO -0.16 -1.80 0.00 0.61 0.41 0.00 0.00 173.24 172.29 2yry n GLY 4 N -2.77 0.94 4.32 3.44 0.00 -1.26 -5.02 105.19 104.85 2yry n GLY 4 Ca 0.15 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 2yry n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yry n SER 5 N 1.46 -2.03 -0.01 1.61 3.41 -1.26 -4.79 113.62 112.01 2yry n SER 5 Ca 0.00 -1.12 -0.04 0.00 -0.26 0.00 0.00 58.87 57.45 2yry n SER 5 Cb 0.00 -2.25 -0.01 0.00 -0.26 0.00 0.00 64.21 61.69 2yry n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yry n SER 6 N -2.64 0.32 0.00 4.04 3.41 -1.26 -5.16 113.62 112.33 2yry n SER 6 Ca 0.01 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2yry n SER 6 Cb 0.52 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2yry n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yry n GLY 7 N 2.81 2.24 2.54 5.00 0.00 -1.26 -4.97 105.19 111.54 2yry n GLY 7 Ca -0.07 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 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 1.90 2.67 3.63 -0.02 0.00 -1.26 -5.07 105.19 107.04 2yry n GLY 8 Ca 0.00 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.36 2yry n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yry s LYS 9 N -3.00 0.28 -0.33 1.61 2.20 -1.26 -5.14 119.74 114.09 2yry s LYS 9 Ca 0.33 0.24 -0.08 0.00 -0.36 0.00 0.00 55.97 56.10 2yry s LYS 9 Cb 0.42 0.13 0.02 0.00 -1.51 0.00 0.00 37.83 36.89 2yry s LYS 9 CO -0.02 -0.05 0.13 1.03 -0.36 0.00 0.00 175.35 176.08 2yry s ARG 10 N -0.24 2.97 -0.26 4.03 3.00 -1.26 -4.95 118.95 122.24 2yry s ARG 10 Ca 0.05 -0.96 -0.12 0.00 0.00 0.00 0.00 55.73 54.70 2yry s ARG 10 Cb -0.04 -3.53 -0.14 0.00 0.00 0.00 0.00 34.95 31.24 2yry s ARG 10 CO -0.09 -0.56 -0.25 0.45 0.00 0.00 0.00 175.30 174.86 2yry n SER 11 N 4.91 1.96 -4.10 0.23 2.88 -1.26 -4.99 113.62 113.25 2yry n SER 11 Ca -0.13 0.26 -0.22 0.00 -1.33 0.00 0.00 58.87 57.45 2yry n SER 11 Cb 0.47 -0.76 -0.15 0.00 -0.75 0.00 0.00 64.21 63.02 2yry n SER 11 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2yry s HIS 12 N -2.50 1.19 -0.45 0.66 3.76 -1.26 -5.11 115.29 111.58 2yry s HIS 12 Ca -0.37 -0.23 0.03 0.00 -0.15 0.00 0.00 55.06 54.34 2yry s HIS 12 Cb 0.13 -0.76 0.12 0.00 1.11 0.00 0.00 32.58 33.18 2yry s HIS 12 CO 0.53 -0.02 0.20 0.45 -0.85 0.00 0.00 174.74 175.05 2yry s SER 13 N -0.37 4.28 -0.04 1.40 0.15 -1.26 -5.09 113.70 112.76 2yry s SER 13 Ca 0.05 -2.66 0.06 0.00 0.70 0.00 0.00 55.95 54.09 2yry s SER 13 Cb -0.05 -1.48 -0.01 0.00 -1.71 0.00 0.00 66.02 62.77 2yry s SER 13 CO -0.00 -0.28 -0.22 -0.04 1.20 0.00 0.00 173.24 173.89 2yry s MET 14 N 0.22 2.17 -0.19 5.44 -1.94 -1.26 -5.12 119.30 118.62 2yry s MET 14 Ca 0.15 -0.80 -0.29 0.00 -1.71 0.00 0.00 55.69 53.05 2yry s MET 14 Cb -0.24 -1.90 0.12 0.00 2.01 0.00 0.00 34.83 34.82 2yry s MET 14 CO -0.03 0.37 0.96 0.21 -0.01 0.00 0.00 175.02 176.51 2yry s LYS 15 N -0.19 0.64 -0.35 2.03 2.20 -1.26 -5.02 119.74 117.80 2yry s LYS 15 Ca -0.01 0.32 -0.28 0.00 -0.36 0.00 0.00 55.97 55.64 2yry s LYS 15 Cb -0.12 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 2yry s LYS 15 CO 0.02 -0.16 1.89 0.50 -0.36 0.00 0.00 175.35 177.23 2yry s ARG 16 N -0.68 3.19 0.42 4.03 3.52 -1.26 -4.93 118.95 123.25 2yry s ARG 16 Ca -0.01 1.43 -0.23 0.00 -0.13 0.00 0.00 55.73 56.79 2yry s ARG 16 Cb -0.02 -4.25 -0.11 0.00 -1.56 0.00 0.00 34.95 29.01 2yry s ARG 16 CO 0.00 -2.03 0.83 0.09 -0.81 0.00 0.00 175.30 173.39 2yry n ASN 17 N 10.93 0.43 0.22 -2.12 3.02 -1.26 -4.87 115.26 121.60 2yry n ASN 17 Ca 0.24 0.98 0.09 0.00 -0.03 0.00 0.00 54.58 55.86 2yry n ASN 17 Cb 0.47 -1.26 0.48 0.00 -0.61 0.00 0.00 39.78 38.86 2yry n ASN 17 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2yry h PRO 18 N 1.21 0.00 -0.76 3.52 0.13 -2.06 -3.04 132.00 131.00 2yry h PRO 18 Ca -0.43 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.18 2yry h PRO 18 Cb 1.36 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.17 2yry h PRO 18 CO 0.55 0.25 -0.15 0.09 -0.23 0.00 0.00 178.00 178.51 2yry n ASN 19 N -3.54 5.32 -4.38 1.44 3.02 -1.26 -4.98 115.26 110.88 2yry n ASN 19 Ca -0.01 -3.77 -0.34 0.00 -0.03 0.00 0.00 54.58 50.43 2yry n ASN 19 Cb 0.40 -0.60 -0.14 0.00 -0.61 0.00 0.00 39.78 38.84 2yry n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yry s ALA 20 N -3.61 2.81 0.13 5.41 0.00 -1.15 -5.09 121.76 120.26 2yry s ALA 20 Ca 0.54 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 51.22 2yry s ALA 20 Cb 0.44 -1.51 -0.08 0.00 0.00 0.00 0.00 23.12 21.98 2yry s ALA 20 CO 0.02 -0.03 1.34 -1.25 0.00 0.00 0.00 175.76 175.84 2yry s PRO 21 N 0.79 4.35 -0.11 0.00 0.04 -1.26 -4.95 135.00 133.87 2yry s PRO 21 Ca -0.02 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 2yry s PRO 21 Cb -0.15 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 2yry s PRO 21 CO 0.01 -0.36 1.77 0.54 0.04 0.00 0.00 177.00 179.00 2yry s VAL 22 N 0.81 3.44 0.00 -0.36 0.11 -1.26 -4.51 120.40 118.63 2yry s VAL 22 Ca 0.62 0.51 -0.23 0.00 -2.93 0.00 0.00 61.98 59.95 2yry s VAL 22 Cb -0.36 -3.40 -0.13 0.00 -1.53 0.00 0.00 36.38 30.97 2yry s VAL 22 CO 0.32 -0.12 0.98 0.74 -3.33 0.00 0.00 175.10 173.70 2yry h THR 23 N 5.96 0.00 -2.58 5.04 2.02 -0.18 -3.47 112.91 119.71 2yry h THR 23 Ca -0.40 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 2yry h THR 23 Cb 1.19 0.00 -0.24 0.00 -1.74 0.00 0.00 68.15 67.36 2yry h THR 23 CO 0.97 0.00 -0.17 -0.75 0.37 0.00 0.00 175.52 175.94 2yry s LYS 24 N -4.27 0.54 0.02 6.66 2.20 -1.12 -4.99 119.74 118.78 2yry s LYS 24 Ca -0.12 0.69 0.03 0.00 -0.36 0.00 0.00 55.97 56.22 2yry s LYS 24 Cb 0.01 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.55 2yry s LYS 24 CO 0.36 -0.08 -0.10 0.00 -0.36 0.00 0.00 175.35 175.17 2yry s ALA 25 N 0.44 0.85 -0.30 3.13 0.00 -1.26 0.00 121.76 124.63 2yry s ALA 25 Ca -0.01 -0.60 -0.27 0.00 0.00 0.00 0.00 51.96 51.07 2yry s ALA 25 Cb -0.04 -0.14 0.20 0.00 0.00 0.00 0.00 23.12 23.13 2yry s ALA 25 CO -0.02 0.16 1.42 0.20 0.00 0.00 0.00 175.76 177.52 2yry s GLY 26 N -0.78 0.23 -0.16 0.00 0.00 -0.78 -5.03 107.32 100.80 2yry s GLY 26 Ca 0.00 3.17 -0.29 0.00 0.00 0.00 0.00 44.72 47.60 2yry s GLY 26 CO 0.00 1.45 1.51 -0.98 0.00 0.00 0.00 173.10 175.08 2yry s TRP 27 N -0.60 2.30 0.35 1.90 0.52 -1.26 -2.53 118.94 119.61 2yry s TRP 27 Ca 0.09 0.58 0.06 0.00 0.02 0.00 0.00 56.10 56.84 2yry s TRP 27 Cb -0.03 -3.83 -0.07 0.00 -1.15 0.00 0.00 33.47 28.39 2yry s TRP 27 CO -0.12 -2.81 0.01 -0.51 0.02 0.00 0.00 176.95 173.54 2yry s LEU 28 N 4.35 2.54 -0.30 2.99 1.43 -0.85 -4.94 118.68 123.90 2yry s LEU 28 Ca 0.67 -1.33 -0.06 0.00 -1.03 0.00 0.00 54.13 52.37 2yry s LEU 28 Cb -0.26 -0.67 0.01 0.00 0.03 0.00 0.00 46.19 45.30 2yry s LEU 28 CO 0.25 -0.47 0.07 -0.36 0.23 0.00 0.00 176.35 176.07 2yry s PHE 29 N -2.97 3.16 -0.28 0.29 0.40 -1.21 -1.40 117.98 115.96 2yry s PHE 29 Ca 0.34 -1.07 -0.17 0.00 -0.60 0.00 0.00 56.93 55.44 2yry s PHE 29 Cb 0.08 -2.25 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 2yry s PHE 29 CO 0.16 -0.60 0.45 0.21 0.70 0.00 0.00 175.22 176.14 2yry s LYS 30 N 1.48 3.97 0.57 0.44 2.20 -0.95 -2.69 119.74 124.77 2yry s LYS 30 Ca 0.02 0.12 -0.20 0.00 -0.36 0.00 0.00 55.97 55.54 2yry s LYS 30 Cb -0.17 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 2yry s LYS 30 CO 0.02 -0.37 1.28 0.94 -0.36 0.00 0.00 175.35 176.86 2yry n GLN 31 N 5.48 1.43 -1.78 4.03 7.27 -1.26 -1.71 117.38 130.84 2yry n GLN 31 Ca -0.06 0.54 -0.30 0.00 0.07 0.00 0.00 57.00 57.25 2yry n GLN 31 Cb 0.50 -2.49 0.08 0.00 2.41 0.00 0.00 30.24 30.74 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 -1.34 2.57 0.90 1.69 0.00 -0.24 -4.85 121.76 120.48 2yry s ALA 32 Ca 0.75 -0.42 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 2yry s ALA 32 Cb -0.41 -3.02 0.14 0.00 0.00 0.00 0.00 23.12 19.82 2yry s ALA 32 CO 0.47 -1.54 1.12 -1.54 0.00 0.00 0.00 175.76 174.27 2yry s SER 33 N -4.29 3.14 0.48 0.00 1.04 -1.26 -4.83 113.70 107.97 2yry s SER 33 Ca 0.60 2.03 0.36 0.00 0.48 0.00 0.00 55.95 59.42 2yry s SER 33 Cb -0.12 -2.52 1.51 0.00 0.10 0.00 0.00 66.02 64.99 2yry s SER 33 CO 0.52 -2.94 1.62 -1.28 0.98 0.00 0.00 173.24 172.14 2yry h SER 34 N -1.75 0.17 0.00 7.02 0.87 -2.01 -3.21 113.55 114.63 2yry h SER 34 Ca -0.45 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2yry h SER 34 Cb 1.27 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2yry h SER 34 CO 0.45 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.23 2yry n GLY 35 N -1.64 -1.27 3.75 5.77 0.00 -1.26 -4.67 105.19 105.88 2yry n GLY 35 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 2yry n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yry s VAL 36 N 0.00 3.09 -0.58 1.61 0.11 -1.21 -4.98 120.40 118.44 2yry s VAL 36 Ca 0.00 0.97 -0.18 0.00 -2.93 0.00 0.00 61.98 59.83 2yry s VAL 36 Cb 0.00 -3.62 0.11 0.00 -1.53 0.00 0.00 36.38 31.34 2yry s VAL 36 CO 0.00 0.18 0.66 -0.54 -3.33 0.00 0.00 175.10 172.06 2yry s LYS 37 N -0.73 3.03 0.07 1.54 -0.14 -1.26 -4.26 119.74 117.99 2yry s LYS 37 Ca 0.53 -1.42 -0.27 0.00 -1.36 0.00 0.00 55.97 53.45 2yry s LYS 37 Cb -0.37 -4.28 0.09 0.00 -1.68 0.00 0.00 37.83 31.60 2yry s LYS 37 CO 0.43 -1.49 1.15 1.14 -0.76 0.00 0.00 175.35 175.81 2yry s GLN 38 N 2.43 0.79 0.05 1.68 -2.07 -1.26 -5.06 119.66 116.22 2yry s GLN 38 Ca 0.09 -0.46 0.06 0.00 -1.82 0.00 0.00 55.36 53.23 2yry s GLN 38 Cb -0.26 0.25 -0.04 0.00 -1.09 0.00 0.00 33.01 31.88 2yry s GLN 38 CO 0.05 -0.36 -0.11 -1.58 -1.32 0.00 0.00 175.29 171.97 2yry s TRP 39 N -2.62 2.74 -0.29 9.60 0.52 -1.26 -1.08 118.94 126.54 2yry s TRP 39 Ca 0.16 -0.14 0.01 0.00 0.02 0.00 0.00 56.10 56.15 2yry s TRP 39 Cb 0.01 -1.51 0.08 0.00 -1.15 0.00 0.00 33.47 30.91 2yry s TRP 39 CO -0.00 0.35 0.02 -0.80 0.02 0.00 0.00 176.95 176.54 2yry s ASN 40 N -1.67 4.21 0.08 2.95 0.01 -0.69 -4.94 114.94 114.89 2yry s ASN 40 Ca 0.18 -1.64 -0.31 0.00 -0.71 0.00 0.00 52.86 50.38 2yry s ASN 40 Cb -0.11 -1.24 -0.08 0.00 0.41 0.00 0.00 41.25 40.23 2yry s ASN 40 CO 0.09 -0.34 1.63 -0.75 -1.51 0.00 0.00 177.10 176.23 2yry s LYS 41 N 1.29 4.20 0.19 -0.60 2.20 -1.26 -2.24 119.74 123.53 2yry s LYS 41 Ca 0.04 2.33 -0.04 0.00 -0.36 0.00 0.00 55.97 57.94 2yry s LYS 41 Cb -0.18 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 2yry s LYS 41 CO -0.12 -0.71 0.20 1.03 -0.36 0.00 0.00 175.35 175.39 2yry s ARG 42 N 2.39 1.22 -0.30 4.03 1.81 -0.49 -4.96 118.95 122.65 2yry s ARG 42 Ca 0.73 -1.48 -0.22 0.00 -1.72 0.00 0.00 55.73 53.04 2yry s ARG 42 Cb -0.40 0.31 -0.01 0.00 -0.45 0.00 0.00 34.95 34.41 2yry s ARG 42 CO 0.32 -0.42 0.70 -0.46 -0.68 0.00 0.00 175.30 174.76 2yry s TRP 43 N -4.10 3.22 -0.12 -0.53 -0.00 -0.95 -2.01 118.94 114.45 2yry s TRP 43 Ca 0.31 0.73 -0.06 0.00 -0.00 0.00 0.00 56.10 57.07 2yry s TRP 43 Cb 0.05 -3.06 -0.04 0.00 -0.00 0.00 0.00 33.47 30.42 2yry s TRP 43 CO 0.09 -0.49 0.12 -0.06 -0.00 0.00 0.00 176.95 176.61 2yry s PHE 44 N 2.74 3.54 -0.04 5.86 0.40 -1.05 -0.20 117.98 129.23 2yry s PHE 44 Ca 0.28 0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 57.09 2yry s PHE 44 Cb -0.15 -1.93 0.03 0.00 0.51 0.00 0.00 43.02 41.49 2yry s PHE 44 CO 0.11 0.70 0.07 0.08 0.70 0.00 0.00 175.22 176.88 2yry s VAL 45 N -0.98 -0.07 -0.34 -0.44 1.01 0.15 -1.86 120.40 117.87 2yry s VAL 45 Ca 0.15 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 2yry s VAL 45 Cb -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.13 2yry s VAL 45 CO 0.04 0.09 0.18 -0.22 0.00 0.00 0.00 175.10 175.19 2yry s LEU 46 N 1.21 4.39 -0.02 3.92 2.96 0.10 0.52 118.68 131.77 2yry s LEU 46 Ca -0.08 -0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 53.13 2yry s LEU 46 Cb -0.12 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.55 2yry s LEU 46 CO -0.04 -0.27 0.04 -0.69 -1.32 0.00 0.00 176.35 174.07 2yry s VAL 47 N 1.61 -0.01 -1.16 1.68 1.01 0.32 0.63 120.40 124.47 2yry s VAL 47 Ca 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 2yry s VAL 47 Cb -0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 2yry s VAL 47 CO 0.07 0.02 0.90 -0.67 0.00 0.00 0.00 175.10 175.42 2yry n ASP 48 N 3.28 -3.67 -2.35 3.32 2.03 -1.26 -1.61 116.55 116.28 2yry n ASP 48 Ca -0.15 -0.72 -0.06 0.00 0.52 0.00 0.00 54.79 54.38 2yry n ASP 48 Cb 0.58 -4.83 -0.00 0.00 -0.72 0.00 0.00 41.12 36.15 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 -3.86 -2.49 -4.11 -0.67 0.63 -1.26 -4.89 116.66 100.02 2yry n ARG 49 Ca -0.20 0.29 -0.11 0.00 -0.92 0.00 0.00 57.85 56.91 2yry n ARG 49 Cb 0.65 -4.80 -0.11 0.00 0.45 0.00 0.00 32.46 28.65 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 -2.30 4.25 -0.04 0.00 0.20 -1.11 -0.52 118.68 119.16 2yry s LEU 51 Ca 0.00 0.39 -0.02 0.00 0.69 0.00 0.00 54.13 55.19 2yry s LEU 51 Cb -0.02 -2.04 0.03 0.00 -0.43 0.00 0.00 46.19 43.73 2yry s LEU 51 CO -0.03 0.37 0.06 -0.36 -0.29 0.00 0.00 176.35 176.10 2yry s PHE 52 N -0.78 0.06 -0.16 5.38 0.08 0.19 -2.81 117.98 119.93 2yry s PHE 52 Ca 0.13 0.25 -0.05 0.00 0.12 0.00 0.00 56.93 57.39 2yry s PHE 52 Cb -0.12 -0.48 -0.03 0.00 -0.57 0.00 0.00 43.02 41.82 2yry s PHE 52 CO 0.03 -0.20 -0.01 1.52 -0.10 0.00 0.00 175.22 176.45 2yry s TYR 53 N 2.17 3.08 0.17 0.36 -0.85 -1.24 0.32 117.35 121.36 2yry s TYR 53 Ca 0.05 -0.21 0.08 0.00 -0.52 0.00 0.00 57.07 56.47 2yry s TYR 53 Cb -0.12 -1.99 -0.04 0.00 0.38 0.00 0.00 41.96 40.19 2yry s TYR 53 CO -0.03 0.01 -0.07 0.71 -1.52 0.00 0.00 175.55 174.65 2yry s TYR 54 N 0.36 2.71 0.47 -3.49 1.51 0.71 -3.52 117.35 116.11 2yry s TYR 54 Ca -0.03 -0.19 0.20 0.00 -1.01 0.00 0.00 57.07 56.04 2yry s TYR 54 Cb -0.14 -1.33 1.20 0.00 -0.11 0.00 0.00 41.96 41.58 2yry s TYR 54 CO 0.02 0.50 1.96 1.57 -1.11 0.00 0.00 175.55 178.50 2yry h LYS 55 N 2.95 0.22 -3.56 -0.62 2.10 -1.86 -2.53 116.57 113.27 2yry h LYS 55 Ca -0.47 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.04 2yry h LYS 55 Cb 1.20 -0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 32.43 2yry h LYS 55 CO 0.55 0.15 0.02 -0.51 -2.00 0.00 0.00 179.45 177.66 2yry s ASP 56 N -6.11 0.34 0.18 7.07 1.01 -1.26 -4.57 116.67 113.34 2yry s ASP 56 Ca -0.07 -1.21 0.16 0.00 0.71 0.00 0.00 52.55 52.14 2yry s ASP 56 Cb 0.20 0.73 0.76 0.00 1.01 0.00 0.00 42.92 45.62 2yry s ASP 56 CO 0.75 -1.42 1.48 -1.84 0.21 0.00 0.00 175.17 174.35 2yry n GLU 57 N -0.52 0.10 -0.08 8.23 -0.00 -1.26 -2.15 120.64 124.96 2yry n GLU 57 Ca -0.03 0.51 0.02 0.00 -0.00 0.00 0.00 57.16 57.66 2yry n GLU 57 Cb 0.61 -1.77 0.35 0.00 -0.00 0.00 0.00 31.44 30.63 2yry n GLU 57 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2yry h LYS 58 N 0.00 0.71 -5.85 3.44 1.57 -1.96 -3.46 116.57 111.03 2yry h LYS 58 Ca 0.00 -0.05 -0.38 0.00 -1.87 0.00 0.00 60.65 58.35 2yry h LYS 58 Cb 0.11 -0.16 0.13 0.00 0.08 0.00 0.00 32.23 32.39 2yry h LYS 58 CO 0.00 0.48 -0.73 0.39 -0.57 0.00 0.00 179.45 179.02 2yry n GLU 59 N -4.45 -7.02 0.41 3.15 1.02 -0.91 -4.92 120.64 107.92 2yry n GLU 59 Ca 0.05 0.80 -0.19 0.00 -0.02 0.00 0.00 57.16 57.80 2yry n GLU 59 Cb 0.05 -5.78 -0.09 0.00 -0.02 0.00 0.00 31.44 25.60 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 -2.30 -1.07 -2.97 3.49 4.39 -1.90 -3.45 114.58 110.78 2yry h GLU 60 Ca -0.58 0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.06 2yry h GLU 60 Cb 1.36 0.24 -0.23 0.00 -0.10 0.00 0.00 28.75 30.02 2yry h GLU 60 CO 0.55 -0.71 -0.31 -1.12 -1.16 0.00 0.00 179.01 176.26 2yry s SER 61 N -4.24 -0.30 -0.07 1.42 0.01 -1.26 -5.12 113.70 104.14 2yry s SER 61 Ca -0.19 0.50 -0.30 0.00 1.31 0.00 0.00 55.95 57.27 2yry s SER 61 Cb 0.03 0.57 -0.06 0.00 0.21 0.00 0.00 66.02 66.78 2yry s SER 61 CO 0.61 -0.21 1.73 -0.63 0.41 0.00 0.00 173.24 175.15 2yry s ILE 62 N -0.27 3.47 -0.04 1.44 1.01 -1.26 -4.73 121.20 120.83 2yry s ILE 62 Ca -0.04 0.57 -0.21 0.00 0.00 0.00 0.00 60.65 60.96 2yry s ILE 62 Cb -0.03 -3.39 -0.32 0.00 0.01 0.00 0.00 42.46 38.73 2yry s ILE 62 CO 0.02 -0.08 0.91 -0.07 0.00 0.00 0.00 174.94 175.72 2yry h LEU 63 N 10.68 0.51 -7.22 2.97 3.38 -1.97 -3.47 115.31 120.18 2yry h LEU 63 Ca -0.40 -0.95 -0.10 0.00 0.09 0.00 0.00 57.88 56.52 2yry h LEU 63 Cb 1.19 -0.17 -0.24 0.00 0.09 0.00 0.00 40.66 41.53 2yry h LEU 63 CO 0.96 1.42 -0.17 -0.83 0.09 0.00 0.00 178.44 179.90 2yry s GLY 64 N -4.43 -0.37 0.04 0.83 0.00 -1.26 -5.10 107.32 97.03 2yry s GLY 64 Ca -0.13 1.46 0.07 0.00 0.00 0.00 0.00 44.72 46.12 2yry s GLY 64 CO 0.84 1.36 -0.18 -0.56 0.00 0.00 0.00 173.10 174.56 2yry s SER 65 N 0.59 3.77 -0.04 1.64 0.01 -1.26 -3.59 113.70 114.83 2yry s SER 65 Ca -0.03 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 56.79 2yry s SER 65 Cb -0.05 -0.60 0.03 0.00 0.21 0.00 0.00 66.02 65.61 2yry s SER 65 CO -0.04 0.26 0.05 -0.63 0.41 0.00 0.00 173.24 173.29 2yry s ILE 66 N -0.91 -0.05 -0.18 1.44 1.01 -1.12 -5.04 121.20 116.35 2yry s ILE 66 Ca 0.14 0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.87 2yry s ILE 66 Cb -0.10 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 2yry s ILE 66 CO 0.05 0.18 1.58 -2.16 0.00 0.00 0.00 174.94 174.59 2yry s PRO 67 N 2.02 3.93 0.08 2.79 0.04 -1.26 -2.75 135.00 139.85 2yry s PRO 67 Ca 0.03 1.77 0.18 0.00 0.04 0.00 0.00 61.00 63.02 2yry s PRO 67 Cb -0.12 -3.99 -0.11 0.00 0.04 0.00 0.00 34.50 30.31 2yry s PRO 67 CO -0.03 -1.13 0.86 1.28 0.04 0.00 0.00 177.00 178.01 2yry n LEU 68 N 7.96 0.86 0.06 -3.56 4.77 -1.26 -3.88 117.00 121.94 2yry n LEU 68 Ca 0.18 0.37 0.04 0.00 -0.03 0.00 0.00 56.01 56.56 2yry n LEU 68 Cb 0.45 0.05 0.19 0.00 -2.33 0.00 0.00 43.42 41.78 2yry n LEU 68 CO 0.63 0.09 0.62 -0.11 -1.33 0.00 0.00 177.39 177.29 2yry n LEU 69 N -2.85 0.18 -2.08 2.23 7.94 -1.26 -0.94 117.00 120.22 2yry n LEU 69 Ca -0.08 0.53 -0.22 0.00 -1.11 0.00 0.00 56.01 55.13 2yry n LEU 69 Cb 0.79 -0.55 0.02 0.00 0.53 0.00 0.00 43.42 44.22 2yry n LEU 69 CO 0.42 -0.60 0.17 -1.20 -1.11 0.00 0.00 177.39 175.07 2yry n SER 70 N -1.72 4.68 -4.04 1.96 7.64 -1.25 -4.37 113.62 116.51 2yry n SER 70 Ca -0.00 -3.62 -0.10 0.00 1.01 0.00 0.00 58.87 56.16 2yry n SER 70 Cb 0.09 -0.35 -0.08 0.00 -1.01 0.00 0.00 64.21 62.86 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 -3.62 0.61 -0.61 1.43 0.40 -0.11 -4.39 117.98 111.70 2yry s PHE 71 Ca 0.49 -0.95 0.05 0.00 -0.60 0.00 0.00 56.93 55.92 2yry s PHE 71 Cb 0.40 -0.18 0.18 0.00 0.51 0.00 0.00 43.02 43.94 2yry s PHE 71 CO 0.03 -0.72 0.47 2.89 0.70 0.00 0.00 175.22 178.59 2yry n ARG 72 N -0.24 1.36 -1.58 0.44 1.85 -0.27 -4.38 116.66 113.85 2yry n ARG 72 Ca -0.04 -4.08 -0.41 0.00 -1.00 0.00 0.00 57.85 52.33 2yry n ARG 72 Cb 0.63 -2.07 0.02 0.00 -1.05 0.00 0.00 32.46 29.99 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 2.12 2.53 -3.64 8.89 0.31 -1.26 -4.12 118.33 123.15 2yry n VAL 73 Ca 0.24 -0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 64.01 2yry n VAL 73 Cb 0.40 -1.05 -0.07 0.00 -0.91 0.00 0.00 33.84 32.21 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 -1.36 -2.11 0.22 3.52 0.00 -1.01 -4.88 121.76 116.14 2yry s ALA 74 Ca 0.65 1.86 -0.31 0.00 0.00 0.00 0.00 51.96 54.16 2yry s ALA 74 Cb -0.54 -1.59 -0.15 0.00 0.00 0.00 0.00 23.12 20.85 2yry s ALA 74 CO 0.55 -0.21 1.23 0.00 0.00 0.00 0.00 175.76 177.33 2yry n ALA 75 N 2.22 0.02 -1.47 0.00 0.00 -1.26 -2.62 120.51 117.41 2yry n ALA 75 Ca -0.13 0.43 -0.40 0.00 0.00 0.00 0.00 53.44 53.35 2yry n ALA 75 Cb 0.56 -2.12 0.02 0.00 0.00 0.00 0.00 19.45 17.92 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 1.40 2.03 -1.29 0.00 0.24 -0.71 -4.83 118.33 115.17 2yry n VAL 76 Ca 0.13 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.60 2yry n VAL 76 Cb 0.28 -0.65 0.10 0.00 -1.47 0.00 0.00 33.84 32.10 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 -1.87 2.09 0.00 7.34 -0.21 -1.26 -4.88 119.66 120.86 2yry s GLN 77 Ca 0.66 1.42 0.15 0.00 0.02 0.00 0.00 55.36 57.62 2yry s GLN 77 Cb -0.51 -1.86 0.91 0.00 1.00 0.00 0.00 33.01 32.55 2yry s GLN 77 CO 0.56 -1.81 1.32 -0.35 -2.12 0.00 0.00 175.29 172.90 2yry n PRO 78 N -3.25 0.49 -0.15 2.91 -0.04 -1.26 -1.99 135.00 131.71 2yry n PRO 78 Ca 0.11 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 2yry n PRO 78 Cb 0.52 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.99 1.46 -3.87 3.54 3.41 -1.26 -5.08 113.62 110.83 2yry n SER 79 Ca 0.11 -2.36 -0.30 0.00 -0.26 0.00 0.00 58.87 56.06 2yry n SER 79 Cb 0.05 -0.24 0.28 0.00 -0.26 0.00 0.00 64.21 64.04 2yry n SER 79 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2yry s ASP 80 N -1.71 -0.28 -0.43 4.04 -4.77 -0.84 -4.94 116.67 107.73 2yry s ASP 80 Ca 0.14 1.10 0.04 0.00 -3.30 0.00 0.00 52.55 50.54 2yry s ASP 80 Cb 0.12 -1.64 0.49 0.00 -1.09 0.00 0.00 42.92 40.80 2yry s ASP 80 CO 0.01 -4.92 1.62 0.59 0.70 0.00 0.00 175.17 173.17 2yry n ASN 81 N -5.36 5.09 -4.33 2.11 3.02 -1.26 -4.96 115.26 109.57 2yry n ASN 81 Ca 0.08 -3.76 -0.35 0.00 -0.03 0.00 0.00 54.58 50.51 2yry n ASN 81 Cb 0.58 -0.68 -0.14 0.00 -0.61 0.00 0.00 39.78 38.93 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 -4.20 3.58 0.08 2.41 -1.09 -1.26 -5.00 121.20 115.72 2yry s ILE 82 Ca 0.55 -0.48 -0.22 0.00 -2.23 0.00 0.00 60.65 58.27 2yry s ILE 82 Cb 0.45 -2.67 -0.12 0.00 -1.58 0.00 0.00 42.46 38.54 2yry s ILE 82 CO 0.02 0.36 1.63 0.28 -1.23 0.00 0.00 174.94 176.00 2yry h SER 83 N 8.14 0.15 -4.01 3.58 0.02 -2.05 -3.43 113.55 115.95 2yry h SER 83 Ca -0.39 -0.14 -0.53 0.00 -0.84 0.00 0.00 61.79 59.88 2yry h SER 83 Cb 1.16 -0.04 0.10 0.00 0.14 0.00 0.00 62.40 63.76 2yry h SER 83 CO 0.60 0.25 0.56 -0.13 -1.14 0.00 0.00 176.83 176.97 2yry s ARG 84 N -5.63 3.54 0.66 3.45 0.52 -1.26 -5.03 118.95 115.20 2yry s ARG 84 Ca -0.14 2.04 0.01 0.00 -0.52 0.00 0.00 55.73 57.12 2yry s ARG 84 Cb 0.06 -2.41 0.10 0.00 0.52 0.00 0.00 34.95 33.23 2yry s ARG 84 CO 0.69 -0.81 0.91 0.15 0.02 0.00 0.00 175.30 176.26 2yry s LYS 85 N -2.71 1.96 -1.22 3.54 1.02 -1.26 -4.59 119.74 116.48 2yry s LYS 85 Ca 0.66 -1.12 -0.05 0.00 0.02 0.00 0.00 55.97 55.48 2yry s LYS 85 Cb -0.35 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 2yry s LYS 85 CO 0.43 -1.20 0.78 0.72 -0.92 0.00 0.00 175.35 175.15 2yry n HIS 86 N -2.64 -2.02 -4.19 3.18 8.25 -1.26 -4.24 115.22 112.30 2yry n HIS 86 Ca 0.13 0.77 -0.25 0.00 -0.26 0.00 0.00 57.72 58.12 2yry n HIS 86 Cb 0.60 -4.22 -0.07 0.00 1.12 0.00 0.00 29.99 27.43 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 -3.56 3.86 -0.06 1.59 2.01 -1.26 -1.59 115.64 116.63 2yry s THR 87 Ca 0.17 -1.47 -0.04 0.00 0.31 0.00 0.00 61.69 60.66 2yry s THR 87 Cb -0.04 -2.99 0.03 0.00 0.01 0.00 0.00 72.50 69.51 2yry s THR 87 CO 0.80 -0.19 0.15 0.72 -0.69 0.00 0.00 174.62 175.41 2yry s PHE 88 N -1.89 -0.17 0.08 4.92 -0.71 0.79 -1.73 117.98 119.26 2yry s PHE 88 Ca 0.29 0.45 0.07 0.00 -1.04 0.00 0.00 56.93 56.71 2yry s PHE 88 Cb -0.09 -0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.68 2yry s PHE 88 CO 0.20 -0.13 -0.20 -1.59 -1.34 0.00 0.00 175.22 172.17 2yry s LYS 89 N 0.64 1.17 -0.08 1.99 0.00 -1.08 0.36 119.74 122.74 2yry s LYS 89 Ca -0.05 -1.05 0.03 0.00 0.00 0.00 0.00 55.97 54.90 2yry s LYS 89 Cb -0.06 -1.35 -0.02 0.00 0.00 0.00 0.00 37.83 36.40 2yry s LYS 89 CO -0.03 0.33 -0.16 0.00 0.00 0.00 0.00 175.35 175.49 2yry s ALA 90 N -1.03 2.54 0.02 0.59 0.00 0.37 -2.41 121.76 121.84 2yry s ALA 90 Ca 0.06 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.12 2yry s ALA 90 Cb -0.09 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 2yry s ALA 90 CO 0.03 0.40 -0.16 -1.83 0.00 0.00 0.00 175.76 174.20 2yry s GLU 91 N -0.16 1.17 0.00 0.00 -1.05 -1.26 0.33 118.70 117.73 2yry s GLU 91 Ca -0.01 -0.70 0.14 0.00 -0.15 0.00 0.00 54.97 54.25 2yry s GLU 91 Cb -0.14 -1.18 0.06 0.00 -0.44 0.00 0.00 34.13 32.44 2yry s GLU 91 CO 0.03 0.31 0.85 1.58 0.95 0.00 0.00 175.26 178.98 2yry n HIS 92 N 2.26 0.00 -3.82 4.83 -0.00 -1.14 -1.11 115.22 116.24 2yry n HIS 92 Ca -0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.31 2yry n HIS 92 Cb 0.54 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.55 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 0.34 -1.82 0.00 1.57 0.00 -1.26 -4.57 120.51 114.77 2yry n ALA 93 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2yry n ALA 93 Cb 0.32 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.27 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 -1.68 0.03 0.05 0.00 0.00 -1.26 -5.04 105.19 97.30 2yry n GLY 94 Ca -0.21 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.66 0.63 -3.90 1.61 0.31 -1.26 -5.13 118.33 109.93 2yry n VAL 95 Ca 0.00 0.35 -0.00 0.00 -0.01 0.00 0.00 64.34 64.67 2yry n VAL 95 Cb 0.00 -1.85 0.02 0.00 -0.91 0.00 0.00 33.84 31.10 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 -3.31 0.38 -3.89 5.55 1.85 -1.26 -5.06 116.66 110.92 2yry n ARG 96 Ca -0.06 -1.00 -0.30 0.00 -1.00 0.00 0.00 57.85 55.50 2yry n ARG 96 Cb 0.21 1.44 -0.16 0.00 -1.05 0.00 0.00 32.46 32.91 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 -2.09 1.29 0.62 8.89 2.01 -1.26 -2.86 115.64 122.24 2yry s THR 97 Ca 0.22 -1.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.06 2yry s THR 97 Cb -0.02 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 2yry s THR 97 CO 0.02 -0.14 0.98 -0.31 -0.69 0.00 0.00 174.62 174.49 2yry s TYR 98 N 1.50 3.43 0.05 4.92 2.02 0.15 -4.85 117.35 124.57 2yry s TYR 98 Ca -0.04 0.97 0.02 0.00 -0.37 0.00 0.00 57.07 57.65 2yry s TYR 98 Cb -0.18 -2.77 -0.03 0.00 -0.40 0.00 0.00 41.96 38.58 2yry s TYR 98 CO -0.07 -0.81 -0.07 -0.06 -1.57 0.00 0.00 175.55 172.97 2yry s PHE 99 N -3.12 0.68 -0.25 2.71 0.40 -1.26 -0.48 117.98 116.66 2yry s PHE 99 Ca 0.54 -0.58 -0.06 0.00 -0.60 0.00 0.00 56.93 56.23 2yry s PHE 99 Cb -0.11 -0.41 0.13 0.00 0.51 0.00 0.00 43.02 43.14 2yry s PHE 99 CO 0.50 -0.10 0.52 -0.06 0.70 0.00 0.00 175.22 176.77 2yry s PHE 100 N -1.78 -1.12 0.34 0.36 0.08 0.16 -4.25 117.98 111.76 2yry s PHE 100 Ca -0.07 1.74 -0.02 0.00 0.12 0.00 0.00 56.93 58.70 2yry s PHE 100 Cb -0.07 0.48 -0.04 0.00 -0.57 0.00 0.00 43.02 42.82 2yry s PHE 100 CO -0.01 -0.64 0.57 0.45 -0.10 0.00 0.00 175.22 175.50 2yry s SER 101 N 2.74 6.34 -0.01 1.36 0.15 -1.09 -0.15 113.70 123.04 2yry s SER 101 Ca 0.02 0.59 0.02 0.00 0.70 0.00 0.00 55.95 57.29 2yry s SER 101 Cb -0.13 -2.09 -0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2yry s SER 101 CO -0.17 -0.29 -0.08 0.00 1.20 0.00 0.00 173.24 173.90 2yry s ALA 102 N -2.27 0.75 0.10 5.45 0.00 -0.62 -3.33 121.76 121.83 2yry s ALA 102 Ca 0.42 -0.34 -0.23 0.00 0.00 0.00 0.00 51.96 51.81 2yry s ALA 102 Cb -0.10 -0.23 -0.13 0.00 0.00 0.00 0.00 23.12 22.65 2yry s ALA 102 CO 0.35 0.15 1.72 0.93 0.00 0.00 0.00 175.76 178.91 2yry h GLU 103 N 6.13 -0.08 -6.42 0.00 5.08 -1.86 -3.42 114.58 114.02 2yry h GLU 103 Ca -0.32 0.01 -0.62 0.00 -1.00 0.00 0.00 59.36 57.43 2yry h GLU 103 Cb 1.18 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 2yry h GLU 103 CO 0.49 -0.05 -0.70 -1.54 -1.00 0.00 0.00 179.01 176.21 2yry s SER 104 N -5.12 4.44 0.42 1.42 1.04 -1.26 -4.97 113.70 109.67 2yry s SER 104 Ca -0.13 -0.50 0.29 0.00 0.48 0.00 0.00 55.95 56.09 2yry s SER 104 Cb 0.07 -0.83 1.22 0.00 0.10 0.00 0.00 66.02 66.57 2yry s SER 104 CO 0.66 0.11 1.87 1.55 0.98 0.00 0.00 173.24 178.40 2yry h PRO 105 N 2.91 0.00 -0.09 4.02 0.13 -1.91 -2.93 132.00 134.14 2yry h PRO 105 Ca -0.47 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 2yry h PRO 105 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2yry h PRO 105 CO 0.55 0.00 -0.83 0.93 -0.23 0.00 0.00 178.00 178.43 2yry h GLU 106 N 0.00 0.61 -0.13 0.86 3.07 -1.97 -2.96 114.58 114.05 2yry h GLU 106 Ca 0.00 -0.54 -0.08 0.00 -0.50 0.00 0.00 59.36 58.24 2yry h GLU 106 Cb 0.43 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 2yry h GLU 106 CO 0.00 1.16 -0.24 0.93 -1.40 0.00 0.00 179.01 179.46 2yry h GLU 107 N 0.39 0.40 0.36 2.33 3.07 -1.94 -2.51 114.58 116.68 2yry h GLU 107 Ca -0.06 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.55 2yry h GLU 107 Cb 1.44 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.35 2yry h GLU 107 CO 0.16 0.84 -0.47 0.37 -1.40 0.00 0.00 179.01 178.51 2yry h GLN 108 N -0.00 -0.84 -0.39 2.33 4.15 -1.61 0.16 115.11 118.91 2yry h GLN 108 Ca 0.01 0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.56 2yry h GLN 108 Cb 0.82 0.19 -0.06 0.00 0.21 0.00 0.00 27.48 28.64 2yry h GLN 108 CO 0.05 -0.56 0.01 1.05 -1.93 0.00 0.00 178.83 177.45 2yry h GLU 109 N -0.87 0.11 -0.63 1.69 4.11 -1.61 -1.11 114.58 116.27 2yry h GLU 109 Ca -0.03 -0.01 0.06 0.00 0.07 0.00 0.00 59.36 59.45 2yry h GLU 109 Cb 0.79 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 2yry h GLU 109 CO -0.13 0.07 0.33 0.00 0.07 0.00 0.00 179.01 179.36 2yry h ALA 110 N 1.34 0.84 -0.40 1.06 0.00 -1.12 -1.98 119.26 119.01 2yry h ALA 110 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2yry h ALA 110 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2yry h ALA 110 CO -0.32 -0.01 0.26 -1.49 0.00 0.00 0.00 179.25 177.70 2yry h TRP 111 N 0.61 0.50 -0.49 0.00 4.06 0.21 -2.14 115.95 118.70 2yry h TRP 111 Ca 0.29 0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.30 2yry h TRP 111 Cb 0.21 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.18 2yry h TRP 111 CO -0.09 0.32 0.33 0.82 -3.56 0.00 0.00 178.44 176.25 2yry h ILE 112 N 0.54 1.01 -0.64 1.49 2.04 -0.65 0.27 117.51 121.57 2yry h ILE 112 Ca 0.15 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.87 2yry h ILE 112 Cb -0.06 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 2yry h ILE 112 CO -0.03 0.09 0.39 1.56 0.00 0.00 0.00 178.15 180.15 2yry h GLN 113 N 0.49 0.73 0.00 2.37 4.20 -0.69 0.96 115.11 123.17 2yry h GLN 113 Ca 0.21 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 2yry h GLN 113 Cb 0.21 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2yry h GLN 113 CO -0.05 0.48 -0.32 0.00 -0.67 0.00 0.00 178.83 178.27 2yry h ALA 114 N 1.28 0.06 0.63 3.87 0.00 -1.28 -3.18 119.26 120.65 2yry h ALA 114 Ca 0.26 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2yry h ALA 114 Cb 0.04 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2yry h ALA 114 CO -0.11 0.20 -0.30 0.52 0.00 0.00 0.00 179.25 179.55 2yry h MET 115 N -1.00 -0.82 -0.59 0.00 2.86 -0.52 0.22 114.93 115.08 2yry h MET 115 Ca -0.08 0.06 0.12 0.00 -2.06 0.00 0.00 59.70 57.74 2yry h MET 115 Cb 0.83 0.19 -0.11 0.00 0.06 0.00 0.00 31.60 32.56 2yry h MET 115 CO -0.05 -0.51 -0.14 0.78 1.06 0.00 0.00 176.91 178.06 2yry h GLY 116 N -1.01 0.44 0.63 8.32 0.00 0.82 0.16 103.07 112.42 2yry h GLY 116 Ca -0.09 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2yry h GLY 116 CO 0.14 -0.22 -0.21 0.83 0.00 0.00 0.00 176.54 177.08 2yry h GLU 117 N 0.00 -0.56 -0.47 4.80 4.39 -1.53 -2.90 114.58 118.30 2yry h GLU 117 Ca 0.29 0.04 0.14 0.00 0.34 0.00 0.00 59.36 60.16 2yry h GLU 117 Cb 0.44 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2yry h GLU 117 CO -0.61 -0.26 0.61 0.00 -1.16 0.00 0.00 179.01 177.59 2yry h ALA 118 N -0.65 2.18 -0.01 3.43 0.00 -0.18 0.35 119.26 124.38 2yry h ALA 118 Ca -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2yry h ALA 118 Cb 0.57 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2yry h ALA 118 CO 0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 179.25 178.46 2yry h ALA 119 N 1.23 0.02 -1.34 0.00 0.00 -0.51 -3.35 119.26 115.31 2yry h ALA 119 Ca 0.22 -0.34 -0.59 0.00 0.00 0.00 0.00 54.91 54.20 2yry h ALA 119 Cb 1.44 -0.00 0.13 0.00 0.00 0.00 0.00 17.79 19.36 2yry h ALA 119 CO -0.00 -0.13 -0.75 0.54 0.00 0.00 0.00 179.25 178.92 2yry n ARG 120 N -4.73 0.00 -0.03 0.00 1.74 0.11 -4.00 116.66 109.74 2yry n ARG 120 Ca -0.09 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.03 2yry n ARG 120 Cb 0.35 -0.93 -0.15 0.00 -1.02 0.00 0.00 32.46 30.72 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 -0.62 0.38 0.00 1.55 0.31 -1.26 -4.90 118.33 113.80 2yry n VAL 121 Ca 0.13 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2yry n VAL 121 Cb 0.32 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 2yry n VAL 121 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18