#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hyr s LYS 3 N 0.00 4.11 0.05 1.64 0.00 -1.26 -0.37 119.74 123.92 3hyr s LYS 3 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 55.97 55.93 3hyr s LYS 3 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 37.83 34.41 3hyr s LYS 3 CO 0.00 0.35 -0.23 -0.51 0.00 0.00 0.00 175.35 174.96 3hyr s LEU 4 N 0.20 2.19 -0.14 2.77 1.43 -0.65 -4.95 118.68 119.53 3hyr s LEU 4 Ca 0.11 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3hyr s LEU 4 Cb -0.12 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 3hyr s LEU 4 CO 0.00 0.18 -0.08 0.42 0.23 0.00 0.00 176.35 177.11 3hyr s THR 5 N -0.85 3.54 -0.05 5.49 -4.23 -1.26 -1.38 115.64 116.90 3hyr s THR 5 Ca 0.09 -0.49 0.05 0.00 -1.18 0.00 0.00 61.69 60.16 3hyr s THR 5 Cb -0.09 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 3hyr s THR 5 CO 0.02 0.51 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.78 3hyr s ILE 6 N 0.30 1.72 -0.07 2.99 1.01 -0.18 -0.09 121.20 126.87 3hyr s ILE 6 Ca -0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 3hyr s ILE 6 Cb -0.15 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 3hyr s ILE 6 CO 0.04 0.48 0.22 -0.83 0.00 0.00 0.00 174.94 174.86 3hyr s GLY 7 N -0.08 2.25 -0.21 6.18 0.00 -0.74 -1.24 107.32 113.49 3hyr s GLY 7 Ca -0.03 -0.52 -0.04 0.00 0.00 0.00 0.00 44.72 44.12 3hyr s GLY 7 CO 0.03 -0.24 -0.02 -2.27 0.00 0.00 0.00 173.10 170.59 3hyr s LEU 8 N -1.12 3.10 -0.08 0.66 0.20 0.11 -0.54 118.68 121.01 3hyr s LEU 8 Ca 0.19 -0.28 -0.05 0.00 0.69 0.00 0.00 54.13 54.68 3hyr s LEU 8 Cb -0.13 -1.78 0.03 0.00 -0.43 0.00 0.00 46.19 43.88 3hyr s LEU 8 CO 0.08 0.04 0.19 -0.51 -0.29 0.00 0.00 176.35 175.86 3hyr s ILE 9 N 1.16 -0.03 0.05 6.68 2.07 -0.43 -1.22 121.20 129.49 3hyr s ILE 9 Ca 0.02 0.11 -0.28 0.00 -1.41 0.00 0.00 60.65 59.09 3hyr s ILE 9 Cb -0.14 -0.30 0.10 0.00 0.13 0.00 0.00 42.46 42.25 3hyr s ILE 9 CO 0.00 0.04 1.17 -0.83 -1.91 0.00 0.00 174.94 173.42 3hyr s GLY 10 N 0.83 -0.32 0.73 1.50 0.00 -1.26 -0.93 107.32 107.86 3hyr s GLY 10 Ca -0.06 0.43 -0.15 0.00 0.00 0.00 0.00 44.72 44.94 3hyr s GLY 10 CO -0.05 0.44 1.23 -1.31 0.00 0.00 0.00 173.10 173.42 3hyr s ASN 11 N -3.03 4.15 1.28 1.64 0.01 -1.17 -1.83 114.94 115.99 3hyr s ASN 11 Ca 0.15 2.44 -0.17 0.00 -0.71 0.00 0.00 52.86 54.57 3hyr s ASN 11 Cb 0.02 -2.60 0.32 0.00 0.41 0.00 0.00 41.25 39.41 3hyr s ASN 11 CO -0.01 -2.30 0.93 -0.81 -1.51 0.00 0.00 177.10 173.39 3hyr n PRO 12 N -2.64 -3.30 -2.38 -0.60 -0.04 -1.26 -3.43 135.00 121.35 3hyr n PRO 12 Ca 0.14 -0.95 -0.13 0.00 -0.04 0.00 0.00 63.50 62.52 3hyr n PRO 12 Cb 0.50 -2.06 -0.01 0.00 -0.04 0.00 0.00 33.50 31.88 3hyr n PRO 12 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hyr n ASN 13 N -5.13 -4.11 -0.16 3.54 3.02 -1.26 -4.84 115.26 106.32 3hyr n ASN 13 Ca 0.05 0.18 0.09 0.00 -0.03 0.00 0.00 54.58 54.87 3hyr n ASN 13 Cb 0.56 -3.50 0.14 0.00 -0.61 0.00 0.00 39.78 36.38 3hyr n ASN 13 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hyr n SER 14 N -1.76 2.50 -0.17 6.41 7.64 -1.22 -4.97 113.62 122.05 3hyr n SER 14 Ca -0.16 -3.01 -0.02 0.00 1.01 0.00 0.00 58.87 56.69 3hyr n SER 14 Cb 0.61 -0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 63.39 3hyr n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hyr n GLY 15 N -1.26 0.56 0.09 0.23 0.00 -1.26 -4.66 105.19 98.89 3hyr n GLY 15 Ca 0.16 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 3hyr n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hyr h LYS 16 N 0.40 0.19 -0.49 1.61 3.64 -1.93 -1.76 116.57 118.23 3hyr h LYS 16 Ca -0.05 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3hyr h LYS 16 Cb 0.26 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3hyr h LYS 16 CO 0.07 0.38 0.32 1.15 -2.27 0.00 0.00 179.45 179.10 3hyr h THR 17 N -0.03 1.12 -0.69 1.00 2.02 -1.97 -0.75 112.91 113.61 3hyr h THR 17 Ca 0.04 -0.23 0.11 0.00 0.77 0.00 0.00 66.41 67.10 3hyr h THR 17 Cb 0.28 0.41 -0.08 0.00 -1.74 0.00 0.00 68.15 67.02 3hyr h THR 17 CO 0.00 0.12 0.28 0.74 0.37 0.00 0.00 175.52 177.03 3hyr h THR 18 N 0.66 0.74 -0.42 3.16 2.02 -1.96 -0.09 112.91 117.02 3hyr h THR 18 Ca 0.18 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 3hyr h THR 18 Cb -0.08 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 3hyr h THR 18 CO -0.04 0.08 0.14 0.25 0.37 0.00 0.00 175.52 176.33 3hyr h LEU 19 N 0.46 0.60 -0.44 2.58 5.85 -0.86 -0.80 115.31 122.71 3hyr h LEU 19 Ca 0.36 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.97 3hyr h LEU 19 Cb 0.48 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.26 3hyr h LEU 19 CO -0.34 0.63 -0.32 0.15 -0.34 0.00 0.00 178.44 178.22 3hyr h PHE 20 N 0.54 -0.89 -0.45 1.25 3.57 -0.39 0.60 116.94 121.16 3hyr h PHE 20 Ca 0.14 0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 3hyr h PHE 20 Cb 0.24 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3hyr h PHE 20 CO 0.01 -0.38 -0.07 -0.91 -2.23 0.00 0.00 178.31 174.73 3hyr h ASN 21 N -0.23 0.84 -0.46 0.41 2.35 -0.92 -1.53 115.58 116.05 3hyr h ASN 21 Ca 0.19 -0.34 0.05 0.00 -0.55 0.00 0.00 56.30 55.64 3hyr h ASN 21 Cb 0.54 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3hyr h ASN 21 CO -0.57 0.99 0.20 1.56 -1.65 0.00 0.00 177.43 177.97 3hyr h GLN 22 N 0.68 0.40 -0.26 0.81 4.20 -0.91 -0.15 115.11 119.88 3hyr h GLN 22 Ca 0.12 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 3hyr h GLN 22 Cb 0.59 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3hyr h GLN 22 CO 0.04 0.26 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.28 3hyr h LEU 23 N 0.41 0.55 0.00 1.46 3.38 -0.73 -3.36 115.31 117.01 3hyr h LEU 23 Ca 0.21 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hyr h LEU 23 Cb 0.15 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hyr h LEU 23 CO -0.17 0.82 -1.38 0.35 0.09 0.00 0.00 178.44 178.15 3hyr n THR 24 N -4.48 0.11 0.00 0.22 -2.24 -0.59 -4.63 114.28 102.67 3hyr n THR 24 Ca -0.04 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3hyr n THR 24 Cb 0.34 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3hyr n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hyr n GLY 25 N 1.34 3.20 0.41 3.38 0.00 -0.07 -0.95 105.19 112.49 3hyr n GLY 25 Ca -0.00 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.24 3hyr n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hyr n SER 26 N 4.25 1.36 -3.84 1.61 3.41 -1.26 -4.55 113.62 114.60 3hyr n SER 26 Ca 0.00 -1.30 -0.42 0.00 -0.26 0.00 0.00 58.87 56.89 3hyr n SER 26 Cb 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3hyr n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hyr n ARG 27 N -0.09 3.37 -3.80 4.33 1.74 -0.12 -4.91 116.66 117.18 3hyr n ARG 27 Ca 0.16 -3.23 -0.13 0.00 -0.77 0.00 0.00 57.85 53.88 3hyr n ARG 27 Cb 0.36 -3.05 -0.10 0.00 -1.02 0.00 0.00 32.46 28.65 3hyr n ARG 27 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3hyr s GLN 28 N 1.35 0.46 -0.02 5.56 -2.07 -1.26 -1.21 119.66 122.47 3hyr s GLN 28 Ca 0.42 0.01 0.06 0.00 -1.82 0.00 0.00 55.36 54.03 3hyr s GLN 28 Cb 0.11 0.21 -0.02 0.00 -1.09 0.00 0.00 33.01 32.21 3hyr s GLN 28 CO -0.02 -0.10 -0.20 1.03 -1.32 0.00 0.00 175.29 174.67 3hyr s ARG 29 N -0.68 2.25 -0.23 9.60 0.52 0.47 -4.98 118.95 125.89 3hyr s ARG 29 Ca -0.08 -0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 54.18 3hyr s ARG 29 Cb -0.04 -2.19 -0.05 0.00 0.52 0.00 0.00 34.95 33.19 3hyr s ARG 29 CO 0.02 0.58 0.14 0.08 0.02 0.00 0.00 175.30 176.14 3hyr s VAL 30 N -0.70 5.24 0.00 3.52 1.01 -1.26 -2.11 120.40 126.09 3hyr s VAL 30 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3hyr s VAL 30 Cb -0.10 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3hyr s VAL 30 CO 0.00 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3hyr n GLY 31 N 4.19 5.38 3.31 4.51 0.00 0.80 -4.98 105.19 118.39 3hyr n GLY 31 Ca -0.15 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 3hyr n GLY 31 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hyr s ASN 32 N 1.00 -0.49 0.16 1.61 2.47 -1.26 -2.17 114.94 116.26 3hyr s ASN 32 Ca 0.00 0.89 -0.31 0.00 0.42 0.00 0.00 52.86 53.86 3hyr s ASN 32 Cb 0.00 0.85 -0.10 0.00 -1.45 0.00 0.00 41.25 40.55 3hyr s ASN 32 CO 0.00 -0.17 1.52 0.26 -3.72 0.00 0.00 177.10 174.99 3hyr s TRP 33 N 0.76 3.10 -0.23 0.43 0.52 0.24 -4.75 118.94 119.01 3hyr s TRP 33 Ca -0.04 0.73 -0.40 0.00 0.02 0.00 0.00 56.10 56.40 3hyr s TRP 33 Cb -0.05 -3.87 -0.16 0.00 -1.15 0.00 0.00 33.47 28.24 3hyr s TRP 33 CO -0.06 -3.14 1.66 0.00 0.02 0.00 0.00 176.95 175.43 3hyr n ALA 34 N 3.84 -0.46 -0.12 0.98 0.00 -1.26 -1.22 120.51 122.27 3hyr n ALA 34 Ca 0.13 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3hyr n ALA 34 Cb 0.39 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3hyr n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hyr n GLY 35 N 3.86 2.24 3.71 0.00 0.00 -1.26 -4.99 105.19 108.75 3hyr n GLY 35 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 3hyr n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hyr s VAL 36 N -2.95 1.24 -2.12 1.61 -7.23 -0.35 -5.05 120.40 105.55 3hyr s VAL 36 Ca 0.00 -2.00 0.23 0.00 -1.81 0.00 0.00 61.98 58.40 3hyr s VAL 36 Cb 0.00 -2.33 0.56 0.00 0.56 0.00 0.00 36.38 35.17 3hyr s VAL 36 CO 0.00 0.00 1.48 0.35 -0.31 0.00 0.00 175.10 176.62 3hyr n THR 37 N -1.17 0.82 -2.13 5.32 -2.24 -1.26 -4.44 114.28 109.19 3hyr n THR 37 Ca -0.15 -0.91 -0.42 0.00 -2.27 0.00 0.00 64.05 60.30 3hyr n THR 37 Cb 0.67 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 3hyr n THR 37 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hyr s VAL 38 N -1.17 3.19 0.26 2.28 1.01 -1.26 -4.89 120.40 119.82 3hyr s VAL 38 Ca 0.45 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 3hyr s VAL 38 Cb 0.24 -3.55 -0.11 0.00 0.00 0.00 0.00 36.38 32.97 3hyr s VAL 38 CO 0.32 0.06 1.54 -0.70 0.00 0.00 0.00 175.10 176.33 3hyr s GLU 39 N 1.15 4.19 -0.25 2.72 2.12 -1.26 -0.59 118.70 126.78 3hyr s GLU 39 Ca 0.66 2.45 0.02 0.00 0.36 0.00 0.00 54.97 58.46 3hyr s GLU 39 Cb -0.38 -3.07 0.05 0.00 0.26 0.00 0.00 34.13 30.99 3hyr s GLU 39 CO 0.30 -0.56 -0.12 0.50 -0.54 0.00 0.00 175.26 174.85 3hyr s ARG 40 N -0.21 2.46 -0.13 4.30 3.52 -0.92 -4.70 118.95 123.26 3hyr s ARG 40 Ca 0.63 -1.21 -0.15 0.00 -0.13 0.00 0.00 55.73 54.88 3hyr s ARG 40 Cb -0.45 -2.86 -0.05 0.00 -1.56 0.00 0.00 34.95 30.04 3hyr s ARG 40 CO 0.44 -0.49 0.35 0.15 -0.81 0.00 0.00 175.30 174.94 3hyr s LYS 41 N 1.17 4.21 0.13 5.12 1.02 -1.26 -0.14 119.74 129.99 3hyr s LYS 41 Ca -0.05 0.21 0.08 0.00 0.02 0.00 0.00 55.97 56.23 3hyr s LYS 41 Cb -0.18 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 3hyr s LYS 41 CO -0.06 0.29 -0.19 -1.21 -0.92 0.00 0.00 175.35 173.25 3hyr s GLU 42 N 0.29 1.18 0.26 1.68 2.02 -0.90 -1.53 118.70 121.70 3hyr s GLU 42 Ca 0.20 -1.27 -0.15 0.00 0.02 0.00 0.00 54.97 53.77 3hyr s GLU 42 Cb -0.14 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 32.77 3hyr s GLU 42 CO 0.07 0.29 0.54 0.20 0.02 0.00 0.00 175.26 176.37 3hyr s GLY 43 N -2.26 0.39 -0.04 -1.39 0.00 -0.47 -0.40 107.32 103.15 3hyr s GLY 43 Ca 0.10 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.10 3hyr s GLY 43 CO 0.05 -0.50 -0.09 1.20 0.00 0.00 0.00 173.10 173.77 3hyr s GLN 44 N -3.98 1.09 0.13 2.90 -1.52 -0.35 -0.59 119.66 117.33 3hyr s GLN 44 Ca 0.20 -0.29 -0.02 0.00 -1.95 0.00 0.00 55.36 53.30 3hyr s GLN 44 Cb -0.02 -0.99 -0.03 0.00 -0.22 0.00 0.00 33.01 31.74 3hyr s GLN 44 CO 0.09 0.06 0.08 -0.59 -0.25 0.00 0.00 175.29 174.68 3hyr s PHE 45 N 0.43 0.75 0.22 0.91 -0.12 -0.74 -4.53 117.98 114.90 3hyr s PHE 45 Ca -0.07 -1.14 0.11 0.00 -0.05 0.00 0.00 56.93 55.78 3hyr s PHE 45 Cb -0.11 -0.40 -0.05 0.00 -0.63 0.00 0.00 43.02 41.83 3hyr s PHE 45 CO 0.01 -0.54 -0.19 -1.54 -0.05 0.00 0.00 175.22 172.91 3hyr s SER 46 N -3.02 3.67 0.00 1.98 1.04 -1.26 -0.14 113.70 115.96 3hyr s SER 46 Ca 0.21 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.79 3hyr s SER 46 Cb 0.07 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.82 3hyr s SER 46 CO 0.00 0.09 0.00 0.41 0.98 0.00 0.00 173.24 174.72 3hyr n THR 47 N -0.05 0.00 -0.08 2.02 -1.04 0.05 -4.97 114.28 110.20 3hyr n THR 47 Ca -0.10 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.77 3hyr n THR 47 Cb 0.57 -0.03 -0.05 0.00 -1.82 0.00 0.00 70.33 69.01 3hyr n THR 47 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3hyr h THR 48 N 0.35 1.30 0.00 12.58 2.02 -2.00 -3.34 112.91 123.83 3hyr h THR 48 Ca 0.00 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.64 3hyr h THR 48 Cb 0.00 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3hyr h THR 48 CO 0.00 0.49 -0.78 0.47 0.37 0.00 0.00 175.52 176.07 3hyr n ASP 49 N -4.22 0.77 -4.09 4.18 8.00 -1.26 -5.05 116.55 114.89 3hyr n ASP 49 Ca -0.04 -0.87 -0.13 0.00 0.71 0.00 0.00 54.79 54.46 3hyr n ASP 49 Cb 0.51 1.01 -0.11 0.00 -0.02 0.00 0.00 41.12 42.51 3hyr n ASP 49 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3hyr s HIS 50 N -2.54 0.72 -0.23 1.24 3.76 -1.25 -2.45 115.29 114.54 3hyr s HIS 50 Ca 0.06 -0.59 -0.06 0.00 -0.15 0.00 0.00 55.06 54.32 3hyr s HIS 50 Cb 0.12 -0.43 -0.02 0.00 1.11 0.00 0.00 32.58 33.36 3hyr s HIS 50 CO 0.67 -0.10 0.03 -1.14 -0.85 0.00 0.00 174.74 173.35 3hyr s GLN 51 N -2.07 3.59 -0.15 1.40 2.00 0.50 -0.77 119.66 124.16 3hyr s GLN 51 Ca -0.05 -0.52 -0.03 0.00 -2.00 0.00 0.00 55.36 52.76 3hyr s GLN 51 Cb -0.07 -3.20 -0.02 0.00 0.80 0.00 0.00 33.01 30.52 3hyr s GLN 51 CO -0.01 -0.14 -0.07 0.08 -0.50 0.00 0.00 175.29 174.65 3hyr s VAL 52 N 1.44 3.61 -0.28 1.34 1.01 0.80 -1.63 120.40 126.69 3hyr s VAL 52 Ca 0.05 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 3hyr s VAL 52 Cb -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3hyr s VAL 52 CO 0.02 0.50 0.26 -0.89 0.00 0.00 0.00 175.10 174.99 3hyr s THR 53 N 0.42 5.25 -0.20 3.92 2.01 -0.48 -1.79 115.64 124.77 3hyr s THR 53 Ca -0.06 0.33 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 3hyr s THR 53 Cb -0.15 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 3hyr s THR 53 CO 0.04 0.21 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.94 3hyr s LEU 54 N 1.88 3.15 -0.33 4.42 2.96 0.24 -1.01 118.68 129.98 3hyr s LEU 54 Ca 0.10 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 3hyr s LEU 54 Cb -0.16 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 44.78 3hyr s LEU 54 CO 0.11 0.05 0.08 -0.69 -1.32 0.00 0.00 176.35 174.57 3hyr s VAL 55 N 1.10 3.61 -0.17 1.68 1.01 -0.37 -1.37 120.40 125.89 3hyr s VAL 55 Ca 0.02 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.52 3hyr s VAL 55 Cb -0.14 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 3hyr s VAL 55 CO 0.01 -0.17 1.36 -0.62 0.00 0.00 0.00 175.10 175.68 3hyr s ASP 56 N 1.38 6.82 0.15 3.32 2.15 -0.58 -0.71 116.67 129.19 3hyr s ASP 56 Ca -0.02 1.70 -0.06 0.00 0.43 0.00 0.00 52.55 54.59 3hyr s ASP 56 Cb -0.20 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 39.83 3hyr s ASP 56 CO 0.02 -0.87 0.41 -0.76 -0.17 0.00 0.00 175.17 173.79 3hyr s LEU 57 N 3.85 4.25 0.29 -1.34 1.43 -0.35 -4.37 118.68 122.44 3hyr s LEU 57 Ca 0.59 0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 54.04 3hyr s LEU 57 Cb -0.23 -3.35 -0.12 0.00 0.03 0.00 0.00 46.19 42.52 3hyr s LEU 57 CO 0.19 0.04 1.57 -2.65 0.23 0.00 0.00 176.35 175.73 3hyr n PRO 58 N 0.10 2.62 -1.55 1.29 -0.02 -1.26 -4.81 135.00 131.37 3hyr n PRO 58 Ca -0.02 0.93 -0.47 0.00 -2.02 0.00 0.00 63.50 61.92 3hyr n PRO 58 Cb 0.52 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 3hyr n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hyr n GLY 59 N 2.14 -0.44 3.33 -1.23 0.00 -1.26 -4.75 105.19 102.98 3hyr n GLY 59 Ca 0.09 0.42 -0.14 0.00 0.00 0.00 0.00 46.02 46.39 3hyr n GLY 59 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hyr s THR 60 N -0.69 0.05 -0.54 2.61 -1.32 -0.76 -4.53 115.64 110.45 3hyr s THR 60 Ca 0.66 -0.40 0.23 0.00 -1.21 0.00 0.00 61.69 60.97 3hyr s THR 60 Cb -0.82 -0.88 -0.10 0.00 -1.51 0.00 0.00 72.50 69.19 3hyr s THR 60 CO 0.56 -0.22 1.02 -1.22 -2.21 0.00 0.00 174.62 172.55 3hyr n TYR 61 N 0.74 0.35 -3.59 9.09 4.02 -1.26 -3.05 117.16 123.46 3hyr n TYR 61 Ca -0.19 0.10 -0.13 0.00 -0.01 0.00 0.00 57.90 57.67 3hyr n TYR 61 Cb 0.59 -0.52 -0.06 0.00 -0.02 0.00 0.00 39.34 39.32 3hyr n TYR 61 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3hyr s SER 62 N -4.15 -0.57 0.21 7.72 0.15 -1.26 -3.68 113.70 112.11 3hyr s SER 62 Ca 0.03 0.91 0.13 0.00 0.70 0.00 0.00 55.95 57.71 3hyr s SER 62 Cb 0.14 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.26 3hyr s SER 62 CO 0.80 -0.33 1.31 -0.07 1.20 0.00 0.00 173.24 176.15 3hyr h LEU 63 N 3.80 0.00 -3.84 3.45 3.38 -1.92 -3.48 115.31 116.71 3hyr h LEU 63 Ca -0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3hyr h LEU 63 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3hyr h LEU 63 CO 0.20 0.66 0.02 0.41 0.09 0.00 0.00 178.44 179.82 3hyr n THR 64 N -3.22 1.10 -0.17 0.22 -1.04 -1.26 -4.82 114.28 105.09 3hyr n THR 64 Ca -0.00 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 3hyr n THR 64 Cb 0.81 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 3hyr n THR 64 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hyr n SER 71 N 2.08 0.00 -0.03 8.00 3.41 -1.26 -5.09 113.62 120.72 3hyr n SER 71 Ca 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.59 3hyr n SER 71 Cb 0.30 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 3hyr n SER 71 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hyr h LEU 72 N -0.35 -0.46 -0.27 1.04 3.38 -2.03 -3.10 115.31 113.52 3hyr h LEU 72 Ca 0.00 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3hyr h LEU 72 Cb 0.07 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3hyr h LEU 72 CO 0.00 -0.18 -0.41 0.44 0.09 0.00 0.00 178.44 178.38 3hyr h ASP 73 N -0.14 -1.35 -1.00 -0.43 3.45 -1.97 -0.89 116.42 114.08 3hyr h ASP 73 Ca 0.12 0.17 0.31 0.00 0.43 0.00 0.00 57.03 58.06 3hyr h ASP 73 Cb 0.32 0.55 -0.14 0.00 -0.56 0.00 0.00 39.33 39.49 3hyr h ASP 73 CO -0.29 -0.30 0.57 -0.08 -1.57 0.00 0.00 179.24 177.57 3hyr h GLU 74 N -0.31 0.36 -0.07 3.56 4.81 -1.78 -1.21 114.58 119.95 3hyr h GLU 74 Ca 0.05 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.08 3hyr h GLU 74 Cb 0.45 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3hyr h GLU 74 CO -0.42 0.24 -0.72 1.96 -0.73 0.00 0.00 179.01 179.34 3hyr h GLN 75 N 0.37 0.35 0.40 1.92 4.20 -1.14 -2.74 115.11 118.47 3hyr h GLN 75 Ca 0.72 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 59.12 3hyr h GLN 75 Cb 1.59 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.43 3hyr h GLN 75 CO -0.58 0.93 -0.19 0.82 -0.67 0.00 0.00 178.83 179.13 3hyr h ILE 76 N 0.24 0.61 -0.66 2.54 2.04 -0.44 -0.82 117.51 121.01 3hyr h ILE 76 Ca -0.03 -0.11 0.14 0.00 1.00 0.00 0.00 64.86 65.86 3hyr h ILE 76 Cb 1.29 0.66 -0.12 0.00 -0.74 0.00 0.00 36.82 37.92 3hyr h ILE 76 CO 0.12 0.02 -0.06 0.00 0.00 0.00 0.00 178.15 178.23 3hyr h ALA 77 N -0.03 0.58 -0.32 1.87 0.00 -1.41 0.23 119.26 120.17 3hyr h ALA 77 Ca -0.06 0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3hyr h ALA 77 Cb 0.45 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hyr h ALA 77 CO 0.09 -0.41 -0.37 0.00 0.00 0.00 0.00 179.25 178.56 3hyr h HIS 79 N 0.59 0.70 -0.20 0.00 6.17 -0.46 -1.77 115.15 120.18 3hyr h HIS 79 Ca 0.04 -0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.09 3hyr h HIS 79 Cb 0.96 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.66 3hyr h HIS 79 CO 0.07 0.55 0.11 -0.92 0.71 0.00 0.00 177.93 178.45 3hyr h TYR 80 N 0.65 0.27 -0.93 5.26 3.20 -0.87 -0.62 116.97 123.94 3hyr h TYR 80 Ca 0.17 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.18 3hyr h TYR 80 Cb 0.10 -0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.21 3hyr h TYR 80 CO -0.01 0.23 0.59 0.82 -1.64 0.00 0.00 178.16 178.15 3hyr h ILE 81 N 0.22 0.84 0.00 1.81 1.08 -0.94 -2.54 117.51 117.98 3hyr h ILE 81 Ca 0.07 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3hyr h ILE 81 Cb 0.05 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.82 3hyr h ILE 81 CO -0.01 0.14 -0.90 0.25 -0.69 0.00 0.00 178.15 176.93 3hyr h LEU 82 N 0.75 0.00 -1.43 1.44 5.85 -1.07 -3.30 115.31 117.55 3hyr h LEU 82 Ca 0.47 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.15 3hyr h LEU 82 Cb 0.70 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 3hyr h LEU 82 CO -0.23 0.01 -0.11 -1.28 -0.34 0.00 0.00 178.44 176.49 3hyr h SER 83 N 0.00 0.00 0.00 1.25 0.87 -0.66 -3.47 113.55 111.54 3hyr h SER 83 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hyr h SER 83 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 3hyr h SER 83 CO 0.00 0.11 0.00 0.61 -0.53 0.00 0.00 176.83 177.02 3hyr n GLY 84 N -0.05 0.86 0.39 5.77 0.00 -1.23 -4.92 105.19 106.01 3hyr n GLY 84 Ca -0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3hyr n GLY 84 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3hyr h ASP 85 N 0.00 0.53 -3.53 1.61 3.58 -1.89 -3.42 116.42 113.30 3hyr h ASP 85 Ca 0.00 0.06 -0.53 0.00 0.42 0.00 0.00 57.03 56.99 3hyr h ASP 85 Cb 0.01 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 3hyr h ASP 85 CO 0.00 0.19 0.19 0.00 -2.88 0.00 0.00 179.24 176.74 3hyr s ALA 86 N -5.56 3.43 0.19 -0.78 0.00 -1.26 -4.81 121.76 112.97 3hyr s ALA 86 Ca -0.09 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.30 3hyr s ALA 86 Cb 0.24 -2.98 0.07 0.00 0.00 0.00 0.00 23.12 20.44 3hyr s ALA 86 CO 0.79 0.25 1.43 -0.44 0.00 0.00 0.00 175.76 177.80 3hyr h ASP 87 N 4.50 0.12 -5.01 0.00 3.32 -0.76 -3.47 116.42 115.12 3hyr h ASP 87 Ca -0.46 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.42 3hyr h ASP 87 Cb 1.21 -0.04 -0.17 0.00 0.22 0.00 0.00 39.33 40.55 3hyr h ASP 87 CO 0.67 0.88 0.03 -0.22 -1.72 0.00 0.00 179.24 178.88 3hyr s LEU 88 N -7.35 -0.07 0.01 1.55 2.96 -1.21 -4.54 118.68 110.03 3hyr s LEU 88 Ca -0.02 0.24 0.07 0.00 -0.22 0.00 0.00 54.13 54.20 3hyr s LEU 88 Cb 0.11 2.11 -0.03 0.00 0.50 0.00 0.00 46.19 48.88 3hyr s LEU 88 CO 0.81 -0.68 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.19 3hyr s LEU 89 N -1.81 2.44 -0.26 -0.68 1.43 -0.14 -1.80 118.68 117.85 3hyr s LEU 89 Ca -0.07 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 3hyr s LEU 89 Cb -0.01 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 3hyr s LEU 89 CO 0.00 0.29 0.12 -0.63 0.23 0.00 0.00 176.35 176.36 3hyr s ILE 90 N -0.79 4.68 -0.44 -0.59 1.01 0.30 -1.32 121.20 124.05 3hyr s ILE 90 Ca 0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 3hyr s ILE 90 Cb -0.10 -3.22 0.06 0.00 0.01 0.00 0.00 42.46 39.21 3hyr s ILE 90 CO 0.02 0.29 0.33 0.21 0.00 0.00 0.00 174.94 175.79 3hyr s ASN 91 N 1.67 5.97 -0.25 3.58 2.47 0.56 -1.31 114.94 127.62 3hyr s ASN 91 Ca 0.06 -1.26 -0.27 0.00 0.42 0.00 0.00 52.86 51.81 3hyr s ASN 91 Cb -0.16 -2.12 0.01 0.00 -1.45 0.00 0.00 41.25 37.53 3hyr s ASN 91 CO 0.06 -0.56 0.95 0.54 -3.72 0.00 0.00 177.10 174.37 3hyr s VAL 92 N 1.59 4.72 -0.12 -5.21 0.11 -0.11 -0.77 120.40 120.61 3hyr s VAL 92 Ca 0.04 1.75 0.02 0.00 -2.93 0.00 0.00 61.98 60.86 3hyr s VAL 92 Cb -0.23 -4.24 -0.00 0.00 -1.53 0.00 0.00 36.38 30.38 3hyr s VAL 92 CO 0.06 -0.19 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.75 3hyr s VAL 93 N 3.12 2.43 -0.52 2.04 1.01 -0.03 -4.39 120.40 124.06 3hyr s VAL 93 Ca 0.40 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 3hyr s VAL 93 Cb -0.15 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.28 3hyr s VAL 93 CO 0.08 0.54 1.36 -0.62 0.00 0.00 0.00 175.10 176.47 3hyr s ASP 94 N 0.45 6.27 0.62 3.32 3.68 -1.26 0.38 116.67 130.13 3hyr s ASP 94 Ca -0.14 0.41 0.40 0.00 2.13 0.00 0.00 52.55 55.36 3hyr s ASP 94 Cb -0.17 -2.55 2.07 0.00 -1.45 0.00 0.00 42.92 40.83 3hyr s ASP 94 CO 0.06 -1.57 2.25 0.00 0.13 0.00 0.00 175.17 176.04 3hyr h ALA 95 N 10.62 1.06 -0.05 3.66 0.00 -1.58 -0.60 119.26 132.36 3hyr h ALA 95 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hyr h ALA 95 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hyr h ALA 95 CO 1.15 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 179.28 3hyr n SER 96 N -3.18 1.16 -2.81 0.00 3.41 -1.26 -3.97 113.62 106.97 3hyr n SER 96 Ca -0.02 -1.47 -0.11 0.00 -0.26 0.00 0.00 58.87 57.01 3hyr n SER 96 Cb 0.14 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.09 3hyr n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hyr n ASN 97 N -0.07 0.45 0.14 4.04 3.02 -0.24 -4.98 115.26 117.60 3hyr n ASN 97 Ca 0.19 -2.83 -0.14 0.00 -0.03 0.00 0.00 54.58 51.77 3hyr n ASN 97 Cb 0.28 -0.11 -0.07 0.00 -0.61 0.00 0.00 39.78 39.27 3hyr n ASN 97 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hyr h LEU 98 N 2.84 -0.24 -0.10 3.41 5.85 -1.66 -1.70 115.31 123.72 3hyr h LEU 98 Ca -0.08 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3hyr h LEU 98 Cb 1.14 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3hyr h LEU 98 CO 0.38 -0.17 0.03 -0.08 -0.34 0.00 0.00 178.44 178.27 3hyr h GLU 99 N -0.27 0.08 -0.90 1.25 4.81 -1.93 -0.48 114.58 117.14 3hyr h GLU 99 Ca -0.02 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3hyr h GLU 99 Cb 0.21 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 3hyr h GLU 99 CO 0.04 0.05 0.49 -0.09 -0.73 0.00 0.00 179.01 178.77 3hyr h ARG 100 N 0.08 1.26 0.00 1.92 2.43 -1.93 -2.85 114.38 115.30 3hyr h ARG 100 Ca 0.04 -0.15 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 3hyr h ARG 100 Cb 0.02 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 3hyr h ARG 100 CO -0.04 0.92 -0.52 -0.91 -1.51 0.00 0.00 179.97 177.91 3hyr h ASN 101 N 1.26 0.00 1.26 -3.80 -0.26 -0.36 -3.16 115.58 110.53 3hyr h ASN 101 Ca 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.06 3hyr h ASN 101 Cb 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 3hyr h ASN 101 CO -0.05 0.52 0.00 -0.07 -1.06 0.00 0.00 177.43 176.77 3hyr h LEU 102 N 0.00 0.00 -0.60 1.61 3.38 -0.87 -2.81 115.31 116.02 3hyr h LEU 102 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3hyr h LEU 102 Cb 0.92 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 3hyr h LEU 102 CO 0.07 0.00 0.27 0.22 0.09 0.00 0.00 178.44 179.09 3hyr h TYR 103 N 0.00 0.49 -0.49 1.13 3.20 -1.58 0.85 116.97 120.57 3hyr h TYR 103 Ca 0.00 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 3hyr h TYR 103 Cb 0.63 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 3hyr h TYR 103 CO 0.00 0.19 -0.11 1.25 -1.64 0.00 0.00 178.16 177.85 3hyr h LEU 104 N 0.50 0.94 -0.71 2.82 5.85 -1.57 -3.18 115.31 119.97 3hyr h LEU 104 Ca 0.29 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.69 3hyr h LEU 104 Cb 0.27 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3hyr h LEU 104 CO -0.24 1.08 0.44 0.74 -0.34 0.00 0.00 178.44 180.12 3hyr h THR 105 N 0.79 1.06 -0.81 1.05 2.02 -1.43 -2.36 112.91 113.22 3hyr h THR 105 Ca 0.12 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 3hyr h THR 105 Cb 0.67 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3hyr h THR 105 CO 0.05 0.15 0.43 0.25 0.37 0.00 0.00 175.52 176.77 3hyr h LEU 106 N 0.84 1.02 -0.62 2.58 5.85 -0.86 -1.33 115.31 122.79 3hyr h LEU 106 Ca 0.30 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3hyr h LEU 106 Cb 0.07 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3hyr h LEU 106 CO -0.13 0.83 0.19 1.56 -0.34 0.00 0.00 178.44 180.56 3hyr h GLN 107 N 1.14 0.96 -0.42 1.25 4.20 -1.41 0.11 115.11 120.95 3hyr h GLN 107 Ca 0.29 -0.21 0.04 0.00 0.06 0.00 0.00 58.65 58.83 3hyr h GLN 107 Cb 0.05 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 3hyr h GLN 107 CO -0.04 0.85 0.18 -0.07 -0.67 0.00 0.00 178.83 179.08 3hyr h LEU 108 N 0.89 0.23 -0.48 1.46 3.38 -1.20 0.06 115.31 119.65 3hyr h LEU 108 Ca 0.20 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 3hyr h LEU 108 Cb 0.29 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hyr h LEU 108 CO -0.01 0.17 -0.29 -0.07 0.09 0.00 0.00 178.44 178.34 3hyr h LEU 109 N 0.37 0.99 -0.87 1.67 3.38 -1.04 -2.03 115.31 117.78 3hyr h LEU 109 Ca 0.19 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3hyr h LEU 109 Cb 0.14 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3hyr h LEU 109 CO -0.16 1.20 0.44 -0.33 0.09 0.00 0.00 178.44 179.68 3hyr h GLU 110 N 0.80 1.23 0.00 1.13 5.08 -0.60 -0.30 114.58 121.92 3hyr h GLU 110 Ca 0.09 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3hyr h GLU 110 Cb 0.87 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3hyr h GLU 110 CO 0.08 0.92 0.00 -0.07 -1.00 0.00 0.00 179.01 178.94 3hyr h LEU 111 N 1.22 0.00 0.11 1.33 3.38 -0.65 -3.45 115.31 117.26 3hyr h LEU 111 Ca 0.30 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 3hyr h LEU 111 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3hyr h LEU 111 CO -0.04 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.05 3hyr n GLY 112 N -0.79 0.57 3.71 0.83 0.00 -0.12 -4.47 105.19 104.91 3hyr n GLY 112 Ca -0.01 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3hyr n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hyr s ILE 113 N -2.05 4.78 0.14 -0.61 1.01 -1.14 -4.80 121.20 118.54 3hyr s ILE 113 Ca 0.00 2.00 -0.34 0.00 0.00 0.00 0.00 60.65 62.31 3hyr s ILE 113 Cb 0.00 -4.28 -0.17 0.00 0.01 0.00 0.00 42.46 38.02 3hyr s ILE 113 CO 0.00 0.16 1.09 -2.65 0.00 0.00 0.00 174.94 173.54 3hyr n PRO 114 N 3.88 0.85 -3.90 2.79 -0.02 -1.26 -4.79 135.00 132.55 3hyr n PRO 114 Ca 0.06 0.30 -0.11 0.00 -2.02 0.00 0.00 63.50 61.74 3hyr n PRO 114 Cb 0.51 -1.76 -0.13 0.00 -0.02 0.00 0.00 33.50 32.10 3hyr n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hyr s ILE 116 N -0.58 0.61 -0.23 0.00 1.01 -0.43 -4.05 121.20 117.52 3hyr s ILE 116 Ca -0.06 -0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 3hyr s ILE 116 Cb -0.04 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 3hyr s ILE 116 CO -0.00 0.26 0.59 -0.69 0.00 0.00 0.00 174.94 175.09 3hyr s VAL 117 N 1.16 5.03 -0.43 2.92 1.01 -0.92 -0.33 120.40 128.85 3hyr s VAL 117 Ca -0.07 1.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.83 3hyr s VAL 117 Cb -0.14 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.39 3hyr s VAL 117 CO -0.01 0.09 0.33 0.00 0.00 0.00 0.00 175.10 175.50 3hyr s ALA 118 N 2.17 3.49 -0.35 5.51 0.00 0.05 -0.20 121.76 132.43 3hyr s ALA 118 Ca 0.25 -1.89 -0.27 0.00 0.00 0.00 0.00 51.96 50.05 3hyr s ALA 118 Cb -0.16 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.05 3hyr s ALA 118 CO 0.09 -1.57 1.00 -0.51 0.00 0.00 0.00 175.76 174.77 3hyr s LEU 119 N 1.64 3.95 -0.52 0.00 1.43 -0.42 -0.85 118.68 123.91 3hyr s LEU 119 Ca 0.04 0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 53.86 3hyr s LEU 119 Cb -0.21 -3.40 0.13 0.00 0.03 0.00 0.00 46.19 42.75 3hyr s LEU 119 CO 0.08 -0.87 0.40 0.21 0.23 0.00 0.00 176.35 176.39 3hyr s ASN 120 N 1.79 5.73 0.00 2.29 2.47 0.16 -0.53 114.94 126.85 3hyr s ASN 120 Ca 0.42 -2.12 0.00 0.00 0.42 0.00 0.00 52.86 51.58 3hyr s ASN 120 Cb -0.12 -2.01 0.00 0.00 -1.45 0.00 0.00 41.25 37.68 3hyr s ASN 120 CO 0.17 -0.64 0.00 0.18 -3.72 0.00 0.00 177.10 173.10 3hyr n LEU 122 N 4.62 0.00 0.09 3.21 7.99 -1.26 -1.41 117.00 130.24 3hyr n LEU 122 Ca -0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.93 3hyr n LEU 122 Cb 0.41 0.00 0.17 0.00 -0.11 0.00 0.00 43.42 43.89 3hyr n LEU 122 CO 0.41 0.00 0.55 0.44 -1.51 0.00 0.00 177.39 177.28 3hyr h ASP 123 N 0.00 0.26 -0.18 -1.43 3.32 -1.98 0.65 116.42 117.06 3hyr h ASP 123 Ca 0.00 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 56.78 3hyr h ASP 123 Cb 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3hyr h ASP 123 CO 0.00 0.73 -0.45 0.40 -1.72 0.00 0.00 179.24 178.20 3hyr h ILE 124 N 0.18 1.33 0.56 0.35 5.03 -1.99 -2.51 117.51 120.46 3hyr h ILE 124 Ca 0.01 -1.69 -0.03 0.00 -0.12 0.00 0.00 64.86 63.02 3hyr h ILE 124 Cb 0.98 1.94 0.01 0.00 -3.03 0.00 0.00 36.82 36.71 3hyr h ILE 124 CO 0.08 0.52 -0.27 0.00 -0.68 0.00 0.00 178.15 177.80 3hyr h ALA 125 N 0.57 -0.75 -0.78 1.87 0.00 -1.74 -2.73 119.26 115.70 3hyr h ALA 125 Ca -0.01 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.91 3hyr h ALA 125 Cb 1.06 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 3hyr h ALA 125 CO 0.10 -0.92 0.25 1.05 0.00 0.00 0.00 179.25 179.72 3hyr h GLU 126 N -0.75 0.32 -0.71 0.00 4.11 0.24 0.97 114.58 118.76 3hyr h GLU 126 Ca -0.08 -0.02 0.10 0.00 0.07 0.00 0.00 59.36 59.43 3hyr h GLU 126 Cb 0.57 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 3hyr h GLU 126 CO 0.13 0.21 0.47 0.87 0.07 0.00 0.00 179.01 180.76 3hyr h LYS 127 N 0.33 0.56 -0.61 1.06 1.79 -1.20 -1.94 116.57 116.56 3hyr h LYS 127 Ca 0.45 -0.03 -0.19 0.00 -2.18 0.00 0.00 60.65 58.69 3hyr h LYS 127 Cb 0.77 -0.13 -0.11 0.00 -1.58 0.00 0.00 32.23 31.18 3hyr h LYS 127 CO -0.50 0.37 0.19 0.00 -1.08 0.00 0.00 179.45 178.44 3hyr n GLN 128 N -4.49 3.19 -2.42 3.15 10.64 0.29 -4.93 117.38 122.81 3hyr n GLN 128 Ca 0.12 -3.06 -0.19 0.00 -1.83 0.00 0.00 57.00 52.04 3hyr n GLN 128 Cb 0.35 -2.09 -0.00 0.00 -0.86 0.00 0.00 30.24 27.64 3hyr n GLN 128 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hyr n ASN 129 N -0.44 -5.37 -4.58 2.61 5.03 -0.73 -4.98 115.26 106.80 3hyr n ASN 129 Ca 0.37 -0.04 -0.39 0.00 0.87 0.00 0.00 54.58 55.39 3hyr n ASN 129 Cb 1.26 -4.40 -0.10 0.00 -1.02 0.00 0.00 39.78 35.52 3hyr n ASN 129 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3hyr s ILE 130 N -2.94 5.26 -0.01 2.41 1.01 -0.93 -5.03 121.20 120.98 3hyr s ILE 130 Ca 0.03 0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.87 3hyr s ILE 130 Cb -0.01 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 3hyr s ILE 130 CO 0.04 0.14 -0.11 -0.13 0.00 0.00 0.00 174.94 174.88 3hyr s ARG 131 N 1.84 2.46 -0.14 2.79 1.81 -1.26 -3.72 118.95 122.74 3hyr s ARG 131 Ca 0.09 -0.75 0.01 0.00 -1.72 0.00 0.00 55.73 53.36 3hyr s ARG 131 Cb -0.16 -2.42 -0.00 0.00 -0.45 0.00 0.00 34.95 31.92 3hyr s ARG 131 CO 0.11 0.60 -0.18 0.42 -0.68 0.00 0.00 175.30 175.57 3hyr s ILE 132 N -0.90 2.51 -0.93 1.52 -1.09 -1.26 -4.27 121.20 116.79 3hyr s ILE 132 Ca 0.15 -0.84 -0.24 0.00 -2.23 0.00 0.00 60.65 57.49 3hyr s ILE 132 Cb -0.11 -2.03 0.03 0.00 -1.58 0.00 0.00 42.46 38.77 3hyr s ILE 132 CO 0.05 0.53 1.48 -0.70 -1.23 0.00 0.00 174.94 175.06 3hyr s GLU 133 N 0.63 3.35 0.15 2.79 2.56 0.16 -4.90 118.70 123.44 3hyr s GLU 133 Ca -0.10 -0.76 -0.20 0.00 0.00 0.00 0.00 54.97 53.92 3hyr s GLU 133 Cb -0.16 -5.01 0.03 0.00 2.00 0.00 0.00 34.13 30.99 3hyr s GLU 133 CO 0.03 -2.33 1.67 0.82 -0.56 0.00 0.00 175.26 174.88 3hyr h ILE 134 N 6.67 0.62 -0.11 -3.70 5.03 -1.97 -0.90 117.51 123.15 3hyr h ILE 134 Ca 0.06 0.00 -0.14 0.00 -0.12 0.00 0.00 64.86 64.66 3hyr h ILE 134 Cb 1.03 0.62 -0.01 0.00 -3.03 0.00 0.00 36.82 35.43 3hyr h ILE 134 CO 1.36 0.00 -0.53 0.44 -0.68 0.00 0.00 178.15 178.75 3hyr h ASP 135 N -0.08 0.33 -0.54 1.72 5.19 -1.93 0.09 116.42 121.21 3hyr h ASP 135 Ca 0.14 -0.17 -0.10 0.00 -0.62 0.00 0.00 57.03 56.27 3hyr h ASP 135 Cb 0.28 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 3hyr h ASP 135 CO -0.32 0.80 -0.07 0.00 -3.12 0.00 0.00 179.24 176.53 3hyr h ALA 136 N 1.21 0.73 -0.05 3.45 0.00 -1.90 0.17 119.26 122.87 3hyr h ALA 136 Ca 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3hyr h ALA 136 Cb 1.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3hyr h ALA 136 CO 0.09 0.62 0.00 1.25 0.00 0.00 0.00 179.25 181.20 3hyr h LEU 137 N 0.87 0.09 -0.83 0.00 5.85 -1.03 -2.75 115.31 117.50 3hyr h LEU 137 Ca 0.14 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.63 3hyr h LEU 137 Cb 0.63 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 3hyr h LEU 137 CO 0.04 0.36 0.51 -1.28 -0.34 0.00 0.00 178.44 177.73 3hyr h SER 138 N -0.19 0.79 -0.54 1.25 0.87 -0.79 0.04 113.55 114.98 3hyr h SER 138 Ca 0.02 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 3hyr h SER 138 Cb 0.32 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3hyr h SER 138 CO 0.00 0.50 -0.05 0.00 -0.53 0.00 0.00 176.83 176.75 3hyr h ALA 139 N 1.40 0.84 -0.02 6.23 0.00 -0.68 -0.33 119.26 126.71 3hyr h ALA 139 Ca 0.37 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3hyr h ALA 139 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hyr h ALA 139 CO -0.18 0.66 -0.75 0.00 0.00 0.00 0.00 179.25 178.98 3hyr h ARG 140 N 0.92 0.15 0.04 0.00 3.08 -1.08 -3.26 114.38 114.22 3hyr h ARG 140 Ca 0.15 -0.14 -0.22 0.00 0.07 0.00 0.00 59.98 59.85 3hyr h ARG 140 Cb 0.60 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3hyr h ARG 140 CO 0.04 0.83 -1.00 -0.07 -1.07 0.00 0.00 179.97 178.70 3hyr h LEU 141 N 0.10 0.32 0.00 3.04 3.38 -0.84 -3.47 115.31 117.82 3hyr h LEU 141 Ca -0.02 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hyr h LEU 141 Cb 1.32 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3hyr h LEU 141 CO 0.11 1.13 0.00 0.61 0.09 0.00 0.00 178.44 180.38 3hyr n GLY 142 N 1.11 0.49 3.15 0.83 0.00 -0.15 -4.85 105.19 105.78 3hyr n GLY 142 Ca -0.05 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 3hyr n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hyr s PRO 144 N -3.92 2.86 -0.14 0.00 0.02 -1.26 -4.58 135.00 127.99 3hyr s PRO 144 Ca 0.09 1.77 0.00 0.00 0.02 0.00 0.00 61.00 62.89 3hyr s PRO 144 Cb 0.07 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.69 3hyr s PRO 144 CO -0.08 -1.28 -0.11 0.08 -0.33 0.00 0.00 177.00 175.28 3hyr s VAL 145 N -1.72 1.34 -0.27 3.83 1.01 -1.26 -2.15 120.40 121.17 3hyr s VAL 145 Ca 0.76 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3hyr s VAL 145 Cb -0.29 -1.30 0.05 0.00 0.00 0.00 0.00 36.38 34.83 3hyr s VAL 145 CO 0.35 0.40 -0.06 -0.63 0.00 0.00 0.00 175.10 175.16 3hyr s ILE 146 N 1.58 2.59 -0.09 2.22 -1.09 0.72 -4.96 121.20 122.17 3hyr s ILE 146 Ca 0.05 -1.42 -0.29 0.00 -2.23 0.00 0.00 60.65 56.75 3hyr s ILE 146 Cb -0.13 -2.46 -0.06 0.00 -1.58 0.00 0.00 42.46 38.23 3hyr s ILE 146 CO -0.10 -0.00 1.87 -2.16 -1.23 0.00 0.00 174.94 173.32 3hyr s PRO 147 N 1.20 3.87 -1.34 2.79 0.04 -1.26 -1.30 135.00 139.00 3hyr s PRO 147 Ca -0.06 2.20 -0.15 0.00 0.04 0.00 0.00 61.00 63.03 3hyr s PRO 147 Cb -0.19 -4.14 0.09 0.00 0.04 0.00 0.00 34.50 30.30 3hyr s PRO 147 CO -0.04 -1.24 1.90 1.28 0.04 0.00 0.00 177.00 178.94 3hyr n LEU 148 N 8.48 5.93 -4.70 -3.56 4.77 0.31 -4.51 117.00 123.72 3hyr n LEU 148 Ca 0.21 -4.18 -0.42 0.00 -0.03 0.00 0.00 56.01 51.59 3hyr n LEU 148 Cb 0.43 -1.66 -0.03 0.00 -2.33 0.00 0.00 43.42 39.83 3hyr n LEU 148 CO 0.66 0.76 1.40 -0.69 -1.33 0.00 0.00 177.39 178.19 3hyr s VAL 149 N 2.91 2.62 -0.10 4.08 1.01 -1.26 -4.76 120.40 124.90 3hyr s VAL 149 Ca 0.48 0.20 0.14 0.00 0.00 0.00 0.00 61.98 62.80 3hyr s VAL 149 Cb 0.08 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.35 3hyr s VAL 149 CO -0.00 0.00 1.43 0.77 0.00 0.00 0.00 175.10 177.30 3hyr h SER 150 N 8.17 0.00 -2.37 3.32 4.64 -1.96 0.25 113.55 125.60 3hyr h SER 150 Ca -0.44 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 3hyr h SER 150 Cb 1.21 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.32 3hyr h SER 150 CO 0.94 0.58 1.23 -0.89 -0.87 0.00 0.00 176.83 177.82 3hyr s THR 151 N -2.95 2.98 -1.49 2.95 2.01 -1.26 -2.46 115.64 115.42 3hyr s THR 151 Ca 0.03 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3hyr s THR 151 Cb 0.08 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.59 3hyr s THR 151 CO 0.75 -0.00 0.00 0.54 -0.69 0.00 0.00 174.62 175.22 3hyr n ARG 152 N 7.47 -1.79 -1.18 4.92 1.74 -1.26 -1.84 116.66 124.72 3hyr n ARG 152 Ca 0.20 0.84 -0.06 0.00 -0.77 0.00 0.00 57.85 58.06 3hyr n ARG 152 Cb 0.41 -5.38 -0.03 0.00 -1.02 0.00 0.00 32.46 26.45 3hyr n ARG 152 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hyr n GLY 153 N -0.73 0.81 0.10 -0.13 0.00 -1.03 -4.91 105.19 99.31 3hyr n GLY 153 Ca -0.18 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 3hyr n GLY 153 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hyr h ARG 154 N 0.20 0.23 -0.49 1.61 3.08 -1.45 -1.88 114.38 115.68 3hyr h ARG 154 Ca -0.13 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.00 3hyr h ARG 154 Cb 0.56 -0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.46 3hyr h ARG 154 CO 0.18 0.17 -0.35 0.78 -1.07 0.00 0.00 179.97 179.68 3hyr h GLY 155 N 0.23 -0.26 0.62 0.04 0.00 -0.73 -0.85 103.07 102.12 3hyr h GLY 155 Ca 0.06 0.45 0.04 0.00 0.00 0.00 0.00 47.33 47.88 3hyr h GLY 155 CO -0.01 -0.20 -0.06 -2.22 0.00 0.00 0.00 176.54 174.05 3hyr h ILE 156 N -0.23 0.79 -0.76 2.60 1.08 -1.69 0.34 117.51 119.64 3hyr h ILE 156 Ca 0.19 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.73 3hyr h ILE 156 Cb 0.55 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 35.03 3hyr h ILE 156 CO -0.61 0.00 0.45 -0.33 -0.69 0.00 0.00 178.15 176.97 3hyr h GLU 157 N -0.02 0.79 -0.30 2.37 4.39 -1.00 0.50 114.58 121.31 3hyr h GLU 157 Ca 0.09 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.63 3hyr h GLU 157 Cb 0.16 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3hyr h GLU 157 CO -0.19 0.52 -0.28 0.00 -1.16 0.00 0.00 179.01 177.90 3hyr h ALA 158 N 1.38 0.95 -0.26 3.43 0.00 -0.63 -1.18 119.26 122.95 3hyr h ALA 158 Ca 0.34 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hyr h ALA 158 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hyr h ALA 158 CO -0.19 0.61 0.17 1.25 0.00 0.00 0.00 179.25 181.09 3hyr h LEU 159 N 0.53 0.31 -0.80 0.00 5.85 0.46 -0.15 115.31 121.51 3hyr h LEU 159 Ca 0.07 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3hyr h LEU 159 Cb 0.76 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 3hyr h LEU 159 CO 0.06 0.24 0.51 0.11 -0.34 0.00 0.00 178.44 179.01 3hyr h LYS 160 N 0.35 0.94 -0.31 1.25 1.57 0.08 0.79 116.57 121.24 3hyr h LYS 160 Ca 0.10 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3hyr h LYS 160 Cb -0.02 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 3hyr h LYS 160 CO -0.02 0.62 0.15 1.25 -0.57 0.00 0.00 179.45 180.88 3hyr h LEU 161 N 0.97 0.21 -0.79 2.94 5.85 -1.04 -2.26 115.31 121.20 3hyr h LEU 161 Ca 0.33 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.13 3hyr h LEU 161 Cb 0.05 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 3hyr h LEU 161 CO -0.13 0.16 0.47 0.00 -0.34 0.00 0.00 178.44 178.61 3hyr h ALA 162 N 1.17 1.09 -0.49 1.25 0.00 -0.29 -2.10 119.26 119.89 3hyr h ALA 162 Ca 0.13 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hyr h ALA 162 Cb 0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3hyr h ALA 162 CO -0.10 0.17 0.22 0.82 0.00 0.00 0.00 179.25 180.36 3hyr h ILE 163 N 0.85 0.91 0.00 0.00 2.04 -0.64 -0.50 117.51 120.16 3hyr h ILE 163 Ca 0.36 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 66.04 3hyr h ILE 163 Cb 0.21 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3hyr h ILE 163 CO -0.19 0.08 -0.12 0.44 0.00 0.00 0.00 178.15 178.36 3hyr h ASP 164 N 0.43 0.00 -0.64 1.72 3.32 -0.95 -2.80 116.42 117.50 3hyr h ASP 164 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3hyr h ASP 164 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3hyr h ASP 164 CO -0.19 0.12 0.00 0.54 -1.72 0.00 0.00 179.24 177.99 3hyr n ARG 165 N -3.64 2.77 -1.65 3.56 1.74 -0.52 -5.03 116.66 113.90 3hyr n ARG 165 Ca -0.02 -2.52 -0.35 0.00 -0.77 0.00 0.00 57.85 54.20 3hyr n ARG 165 Cb 0.24 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.25 3hyr n ARG 165 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 3hyr s TYR 166 N -1.00 2.18 0.33 -1.55 -0.85 -0.31 -5.03 117.35 111.11 3hyr s TYR 166 Ca 0.43 1.56 -0.14 0.00 -0.52 0.00 0.00 57.07 58.39 3hyr s TYR 166 Cb 0.22 -3.48 0.03 0.00 0.38 0.00 0.00 41.96 39.10 3hyr s TYR 166 CO 0.29 -2.49 0.66 -1.59 -1.52 0.00 0.00 175.55 170.90 3hyr s LYS 167 N -3.70 1.95 0.49 -3.49 -2.85 -1.26 -5.09 119.74 105.79 3hyr s LYS 167 Ca 0.76 -1.35 -0.23 0.00 -1.00 0.00 0.00 55.97 54.14 3hyr s LYS 167 Cb -0.30 0.56 -0.07 0.00 -2.06 0.00 0.00 37.83 35.96 3hyr s LYS 167 CO 0.41 -0.88 1.30 0.00 0.10 0.00 0.00 175.35 176.28 3hyr n ALA 168 N -0.49 1.40 -1.53 0.59 0.00 -1.26 -4.60 120.51 114.61 3hyr n ALA 168 Ca -0.05 0.18 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 3hyr n ALA 168 Cb 0.60 -2.30 0.08 0.00 0.00 0.00 0.00 19.45 17.83 3hyr n ALA 168 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hyr n ASN 169 N -0.43 1.38 -4.74 0.00 3.02 -1.26 -4.95 115.26 108.28 3hyr n ASN 169 Ca 0.09 0.75 -0.41 0.00 -0.03 0.00 0.00 54.58 54.97 3hyr n ASN 169 Cb 0.43 -1.49 -0.03 0.00 -0.61 0.00 0.00 39.78 38.08 3hyr n ASN 169 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hyr s GLU 170 N -3.41 4.34 -1.15 3.52 0.41 0.22 -4.89 118.70 117.73 3hyr s GLU 170 Ca 0.78 2.17 -0.08 0.00 -0.41 0.00 0.00 54.97 57.44 3hyr s GLU 170 Cb -0.36 -3.14 -0.07 0.00 -1.78 0.00 0.00 34.13 28.78 3hyr s GLU 170 CO 0.45 -0.31 2.95 -1.71 -0.49 0.00 0.00 175.26 176.15 3hyr n ASN 171 N 2.28 7.76 -4.79 -0.19 5.15 -1.26 -4.59 115.26 119.62 3hyr n ASN 171 Ca 0.06 -2.73 -0.35 0.00 -0.60 0.00 0.00 54.58 50.96 3hyr n ASN 171 Cb 0.42 -1.46 -0.02 0.00 -0.53 0.00 0.00 39.78 38.18 3hyr n ASN 171 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hyr s VAL 172 N 0.86 3.55 0.16 3.44 0.11 -1.26 -5.01 120.40 122.25 3hyr s VAL 172 Ca 0.65 1.03 -0.31 0.00 -2.93 0.00 0.00 61.98 60.42 3hyr s VAL 172 Cb 0.22 -3.45 -0.09 0.00 -1.53 0.00 0.00 36.38 31.53 3hyr s VAL 172 CO -0.07 -0.15 1.42 -0.70 -3.33 0.00 0.00 175.10 172.27 3hyr s GLU 173 N -3.04 4.31 0.00 1.54 2.12 -1.26 -4.98 118.70 117.39 3hyr s GLU 173 Ca 0.66 2.16 0.00 0.00 0.36 0.00 0.00 54.97 58.16 3hyr s GLU 173 Cb -0.21 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 30.99 3hyr s GLU 173 CO 0.25 -0.43 0.00 1.28 -0.54 0.00 0.00 175.26 175.82 3hyr n LEU 174 N 3.43 0.00 -4.81 2.70 4.77 -1.26 -5.00 117.00 116.83 3hyr n LEU 174 Ca 0.10 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.70 3hyr n LEU 174 Cb 0.41 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 3hyr n LEU 174 CO 0.59 0.00 0.38 -0.69 -1.33 0.00 0.00 177.39 176.35 3hyr s VAL 175 N 0.00 4.58 -0.65 4.08 1.01 -1.26 -4.88 120.40 123.27 3hyr s VAL 175 Ca 0.00 1.35 -0.08 0.00 0.00 0.00 0.00 61.98 63.25 3hyr s VAL 175 Cb 0.00 -3.94 0.17 0.00 0.00 0.00 0.00 36.38 32.61 3hyr s VAL 175 CO 0.00 0.39 0.52 -2.28 0.00 0.00 0.00 175.10 173.73 3hyr s HIS 176 N -1.31 3.53 0.38 5.22 2.46 -1.26 -5.07 115.29 119.24 3hyr s HIS 176 Ca 0.37 -2.25 -0.20 0.00 0.47 0.00 0.00 55.06 53.44 3hyr s HIS 176 Cb -0.19 -3.48 -0.10 0.00 -0.13 0.00 0.00 32.58 28.67 3hyr s HIS 176 CO 0.22 -0.93 0.89 0.71 -2.47 0.00 0.00 174.74 173.16 3hyr s TYR 177 N 0.39 3.38 0.29 3.88 1.51 -1.26 -4.86 117.35 120.68 3hyr s TYR 177 Ca 0.14 1.53 -0.30 0.00 -1.01 0.00 0.00 57.07 57.43 3hyr s TYR 177 Cb -0.19 -2.78 -0.13 0.00 -0.11 0.00 0.00 41.96 38.76 3hyr s TYR 177 CO -0.04 -0.01 1.42 0.00 -1.11 0.00 0.00 175.55 175.81 3hyr n ALA 178 N -0.38 1.58 -0.30 3.71 0.00 -1.26 -4.84 120.51 119.02 3hyr n ALA 178 Ca 0.05 0.38 0.12 0.00 0.00 0.00 0.00 53.44 54.00 3hyr n ALA 178 Cb 0.53 -2.32 0.27 0.00 0.00 0.00 0.00 19.45 17.93 3hyr n ALA 178 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3hyr h GLN 179 N 3.82 0.13 0.00 0.00 5.75 -2.00 -1.81 115.11 120.99 3hyr h GLN 179 Ca -0.46 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.00 3hyr h GLN 179 Cb 1.26 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.78 3hyr h GLN 179 CO 0.72 0.08 -0.14 -1.35 -2.65 0.00 0.00 178.83 175.49 3hyr h PRO 180 N 0.13 0.00 -0.11 -2.39 0.11 -1.98 0.72 132.00 128.48 3hyr h PRO 180 Ca 0.54 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.61 3hyr h PRO 180 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hyr h PRO 180 CO -0.73 0.14 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.02 3hyr h LEU 181 N 0.00 0.29 -0.77 2.35 3.38 -1.70 -0.77 115.31 118.10 3hyr h LEU 181 Ca -0.00 -0.49 0.10 0.00 0.09 0.00 0.00 57.88 57.58 3hyr h LEU 181 Cb 0.43 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 3hyr h LEU 181 CO 0.02 0.73 0.41 -0.07 0.09 0.00 0.00 178.44 179.61 3hyr h LEU 182 N -0.13 0.55 0.15 1.67 3.38 -1.27 -0.81 115.31 118.84 3hyr h LEU 182 Ca 0.02 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3hyr h LEU 182 Cb 0.65 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3hyr h LEU 182 CO 0.03 0.30 -0.07 0.78 0.09 0.00 0.00 178.44 179.57 3hyr h ASN 183 N 0.67 -0.17 -0.42 -0.43 2.35 -0.74 0.00 115.58 116.84 3hyr h ASN 183 Ca 0.38 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.06 3hyr h ASN 183 Cb 0.40 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3hyr h ASN 183 CO -0.27 -0.11 0.02 -0.08 -1.65 0.00 0.00 177.43 175.34 3hyr h GLU 184 N -0.21 0.81 -0.54 0.81 4.57 -0.96 -1.85 114.58 117.22 3hyr h GLU 184 Ca -0.02 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 57.86 3hyr h GLU 184 Cb 0.16 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3hyr h GLU 184 CO 0.03 0.80 0.01 0.00 -1.18 0.00 0.00 179.01 178.67 3hyr h ALA 185 N 1.26 0.73 -0.48 2.92 0.00 -0.96 -1.97 119.26 120.76 3hyr h ALA 185 Ca 0.15 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.85 3hyr h ALA 185 Cb 0.43 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 3hyr h ALA 185 CO 0.02 0.54 0.06 -0.44 0.00 0.00 0.00 179.25 179.43 3hyr h ASP 186 N 0.83 -0.07 -0.51 0.00 3.32 -0.46 -0.13 116.42 119.40 3hyr h ASP 186 Ca 0.15 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3hyr h ASP 186 Cb 0.52 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 3hyr h ASP 186 CO 0.03 -0.00 0.17 0.77 -1.72 0.00 0.00 179.24 178.48 3hyr h SER 187 N 0.19 0.73 -0.28 6.45 4.64 -1.09 -1.98 113.55 122.21 3hyr h SER 187 Ca 0.24 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 3hyr h SER 187 Cb 0.33 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3hyr h SER 187 CO -0.34 0.73 0.01 -0.07 -0.87 0.00 0.00 176.83 176.29 3hyr h LEU 188 N 0.69 0.56 -0.75 5.97 3.38 -1.19 -3.10 115.31 120.87 3hyr h LEU 188 Ca 0.17 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3hyr h LEU 188 Cb 0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3hyr h LEU 188 CO -0.01 0.62 -0.13 0.00 0.09 0.00 0.00 178.44 179.02 3hyr h ALA 189 N 1.45 0.94 0.00 1.53 0.00 -0.45 -3.03 119.26 119.70 3hyr h ALA 189 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hyr h ALA 189 Cb 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hyr h ALA 189 CO 0.01 0.62 0.00 0.36 0.00 0.00 0.00 179.25 180.24 3hyr n LYS 190 N -4.15 0.01 -3.34 0.00 2.85 -0.80 -4.86 118.16 107.87 3hyr n LYS 190 Ca 0.01 0.25 -0.34 0.00 -1.05 0.00 0.00 58.31 57.18 3hyr n LYS 190 Cb 0.38 -1.52 -0.05 0.00 -0.65 0.00 0.00 35.03 33.19 3hyr n LYS 190 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3hyr n VAL 191 N -1.54 3.44 -3.04 0.58 0.31 -1.15 -5.08 118.33 111.85 3hyr n VAL 191 Ca 0.04 -5.43 -0.41 0.00 -0.01 0.00 0.00 64.34 58.53 3hyr n VAL 191 Cb 0.18 -2.14 -0.05 0.00 -0.91 0.00 0.00 33.84 30.92 3hyr n VAL 191 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3hyr s PRO 193 N -2.38 4.21 0.00 5.55 0.02 -1.26 -3.63 135.00 137.52 3hyr s PRO 193 Ca 0.35 0.73 0.22 0.00 0.02 0.00 0.00 61.00 62.31 3hyr s PRO 193 Cb 0.07 -3.59 0.97 0.00 0.02 0.00 0.00 34.50 31.97 3hyr s PRO 193 CO 0.00 -0.31 1.70 0.45 -0.33 0.00 0.00 177.00 178.51 3hyr n SER 194 N 5.27 0.00 0.00 2.53 2.88 -1.26 -2.52 113.62 120.52 3hyr n SER 194 Ca 0.01 0.37 0.02 0.00 -1.33 0.00 0.00 58.87 57.94 3hyr n SER 194 Cb 0.49 -0.45 0.07 0.00 -0.75 0.00 0.00 64.21 63.58 3hyr n SER 194 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3hyr n ASP 195 N -1.45 0.01 -4.62 -3.46 5.75 -1.26 -4.47 116.55 107.05 3hyr n ASP 195 Ca 0.06 0.50 -0.34 0.00 -0.01 0.00 0.00 54.79 55.00 3hyr n ASP 195 Cb 0.23 -0.51 -0.10 0.00 -1.03 0.00 0.00 41.12 39.72 3hyr n ASP 195 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3hyr s ILE 196 N -3.01 4.55 0.40 2.12 1.01 -1.05 -5.07 121.20 120.15 3hyr s ILE 196 Ca 0.01 -0.13 -0.25 0.00 0.00 0.00 0.00 60.65 60.28 3hyr s ILE 196 Cb 0.02 -3.01 -0.11 0.00 0.01 0.00 0.00 42.46 39.37 3hyr s ILE 196 CO 0.06 0.50 1.11 -2.65 0.00 0.00 0.00 174.94 173.96 3hyr n PRO 197 N 3.23 1.59 -0.33 2.79 -0.02 -1.26 -4.70 135.00 136.29 3hyr n PRO 197 Ca -0.17 0.57 0.19 0.00 -2.02 0.00 0.00 63.50 62.06 3hyr n PRO 197 Cb 0.53 -2.15 0.40 0.00 -0.02 0.00 0.00 33.50 32.25 3hyr n PRO 197 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hyr h LEU 198 N 1.82 0.47 -0.32 2.45 5.85 -1.98 0.14 115.31 123.73 3hyr h LEU 198 Ca -0.45 0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 3hyr h LEU 198 Cb 1.32 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 3hyr h LEU 198 CO 0.58 -0.05 0.04 0.50 -0.34 0.00 0.00 178.44 179.18 3hyr h LYS 199 N 0.39 0.54 -0.32 1.25 3.64 -1.92 -0.62 116.57 119.53 3hyr h LYS 199 Ca 0.66 -0.15 -0.14 0.00 -1.27 0.00 0.00 60.65 59.75 3hyr h LYS 199 Cb 1.38 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 3hyr h LYS 199 CO -0.56 0.64 -0.36 1.96 -2.27 0.00 0.00 179.45 178.85 3hyr h GLN 200 N 0.36 0.74 -0.54 1.90 4.20 -1.52 -2.00 115.11 118.25 3hyr h GLN 200 Ca 0.10 -0.37 0.03 0.00 0.06 0.00 0.00 58.65 58.47 3hyr h GLN 200 Cb 0.37 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 3hyr h GLN 200 CO 0.01 0.99 0.31 0.00 -0.67 0.00 0.00 178.83 179.46 3hyr h ARG 201 N 0.62 0.59 -0.71 1.46 3.08 -0.45 0.10 114.38 119.08 3hyr h ARG 201 Ca 0.06 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.09 3hyr h ARG 201 Cb 0.90 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 3hyr h ARG 201 CO 0.08 0.39 0.46 0.00 -1.07 0.00 0.00 179.97 179.83 3hyr h ARG 202 N 0.61 0.90 -0.26 0.04 3.08 -1.00 -1.30 114.38 116.44 3hyr h ARG 202 Ca 0.23 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3hyr h ARG 202 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3hyr h ARG 202 CO -0.12 0.59 0.14 2.35 -1.07 0.00 0.00 179.97 181.86 3hyr h TRP 203 N 0.92 0.37 -0.89 3.04 7.01 -0.88 -2.35 115.95 123.17 3hyr h TRP 203 Ca 0.27 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.35 3hyr h TRP 203 Cb -0.06 -0.12 -0.07 0.00 -2.10 0.00 0.00 29.16 26.81 3hyr h TRP 203 CO -0.03 0.32 0.54 -0.07 -2.79 0.00 0.00 178.44 176.41 3hyr h LEU 204 N 0.30 0.80 -0.78 0.65 3.38 -0.36 -1.47 115.31 117.84 3hyr h LEU 204 Ca 0.09 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3hyr h LEU 204 Cb 0.09 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3hyr h LEU 204 CO -0.01 0.46 0.11 1.23 0.09 0.00 0.00 178.44 180.32 3hyr h GLY 205 N 0.91 1.11 1.03 0.83 0.00 -1.01 -2.74 103.07 103.21 3hyr h GLY 205 Ca 0.42 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 3hyr h GLY 205 CO -0.23 0.67 0.19 -2.00 0.00 0.00 0.00 176.54 175.17 3hyr h LEU 206 N 0.97 0.98 -1.65 3.11 5.85 -0.77 -1.60 115.31 122.20 3hyr h LEU 206 Ca 0.20 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3hyr h LEU 206 Cb 0.41 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3hyr h LEU 206 CO 0.01 0.94 0.00 0.00 -0.34 0.00 0.00 178.44 179.05 3hyr n GLN 207 N -4.32 0.24 0.00 1.25 1.13 -0.69 -2.03 117.38 112.96 3hyr n GLN 207 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3hyr n GLN 207 Cb 0.23 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.29 3hyr n GLN 207 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3hyr n LEU 209 N 0.70 0.00 0.07 1.08 4.77 -0.60 -1.69 117.00 121.33 3hyr n LEU 209 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3hyr n LEU 209 Cb 0.10 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.50 3hyr n LEU 209 CO 0.00 0.00 0.64 1.21 -1.33 0.00 0.00 177.39 177.91 3hyr n GLU 210 N 0.00 0.24 0.00 3.23 2.13 -0.86 -4.35 120.64 121.03 3hyr n GLU 210 Ca 0.00 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.96 3hyr n GLU 210 Cb 0.00 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 29.99 3hyr n GLU 210 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hyr n GLY 211 N 1.34 1.08 3.75 8.31 0.00 -0.68 -4.86 105.19 114.13 3hyr n GLY 211 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3hyr n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hyr s ASP 212 N -1.71 6.68 -0.19 1.61 2.15 -0.72 -4.97 116.67 119.52 3hyr s ASP 212 Ca 0.00 2.65 -0.08 0.00 0.43 0.00 0.00 52.55 55.55 3hyr s ASP 212 Cb 0.00 -2.62 -0.21 0.00 -0.30 0.00 0.00 42.92 39.78 3hyr s ASP 212 CO 0.00 -0.68 0.12 -0.38 -0.17 0.00 0.00 175.17 174.07 3hyr n ILE 213 N 2.23 1.64 -0.21 4.11 5.41 -1.26 -4.37 119.36 126.92 3hyr n ILE 213 Ca 0.06 -0.50 0.17 0.00 1.00 0.00 0.00 62.75 63.48 3hyr n ILE 213 Cb 0.41 -1.73 0.50 0.00 -0.71 0.00 0.00 39.64 38.10 3hyr n ILE 213 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3hyr h TYR 214 N -0.25 0.53 -0.81 1.39 0.05 -1.98 -2.03 116.97 113.87 3hyr h TYR 214 Ca -0.48 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.31 3hyr h TYR 214 Cb 1.83 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 39.37 3hyr h TYR 214 CO 0.05 0.18 0.46 0.77 -1.05 0.00 0.00 178.16 178.57 3hyr h SER 215 N 0.43 1.00 -1.01 3.88 0.02 -1.95 -2.74 113.55 113.18 3hyr h SER 215 Ca 0.42 -0.07 0.25 0.00 -0.84 0.00 0.00 61.79 61.55 3hyr h SER 215 Cb 0.97 -0.25 -0.08 0.00 0.14 0.00 0.00 62.40 63.18 3hyr h SER 215 CO -0.15 0.79 0.66 0.03 -1.14 0.00 0.00 176.83 177.02 3hyr h ARG 216 N 1.13 0.34 -0.13 3.45 3.08 -1.57 -1.96 114.38 118.73 3hyr h ARG 216 Ca 0.29 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.36 3hyr h ARG 216 Cb -0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3hyr h ARG 216 CO -0.05 0.23 0.10 0.00 -1.07 0.00 0.00 179.97 179.18 3hyr h ALA 217 N 1.60 2.01 0.00 0.04 0.00 -1.60 -2.47 119.26 118.84 3hyr h ALA 217 Ca 0.55 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 3hyr h ALA 217 Cb 1.47 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3hyr h ALA 217 CO -0.22 -0.17 -1.23 0.66 0.00 0.00 0.00 179.25 178.29 3hyr n TYR 218 N -4.32 0.78 1.28 0.00 4.02 -0.74 -4.50 117.16 113.68 3hyr n TYR 218 Ca 0.00 0.23 0.07 0.00 -0.01 0.00 0.00 57.90 58.19 3hyr n TYR 218 Cb 0.22 -0.88 0.26 0.00 -0.02 0.00 0.00 39.34 38.92 3hyr n TYR 218 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hyr n ALA 219 N -2.21 2.50 -0.39 -0.72 0.00 -0.93 -4.59 120.51 114.17 3hyr n ALA 219 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3hyr n ALA 219 Cb 0.57 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3hyr n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hyr n GLY 220 N 0.98 2.73 0.29 0.00 0.00 -1.26 -1.61 105.19 106.33 3hyr n GLY 220 Ca 0.12 0.32 0.08 0.00 0.00 0.00 0.00 46.02 46.54 3hyr n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hyr h GLU 221 N 0.00 0.16 -1.11 1.61 5.08 -1.94 -3.34 114.58 115.03 3hyr h GLU 221 Ca 0.00 -0.01 0.31 0.00 -1.00 0.00 0.00 59.36 58.66 3hyr h GLU 221 Cb 0.00 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.14 3hyr h GLU 221 CO 0.00 0.11 0.76 0.00 -1.00 0.00 0.00 179.01 178.87 3hyr h ALA 222 N 1.89 2.65 0.00 3.43 0.00 -1.36 -2.28 119.26 123.58 3hyr h ALA 222 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hyr h ALA 222 Cb 0.11 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hyr h ALA 222 CO -0.01 -1.03 0.00 0.66 0.00 0.00 0.00 179.25 178.86 3hyr h SER 223 N 0.20 0.00 0.80 0.00 4.64 -1.81 0.18 113.55 117.56 3hyr h SER 223 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 3hyr h SER 223 Cb 1.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 3hyr h SER 223 CO -0.18 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 175.61 3hyr n GLN 224 N -2.76 0.04 0.00 4.77 10.64 -0.86 -3.51 117.38 125.70 3hyr n GLN 224 Ca 0.00 -0.01 0.11 0.00 -1.83 0.00 0.00 57.00 55.27 3hyr n GLN 224 Cb 0.22 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 28.03 3hyr n GLN 224 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3hyr n HIS 225 N -1.47 0.06 -0.04 2.61 8.25 0.04 -4.59 115.22 120.07 3hyr n HIS 225 Ca 0.07 0.02 -0.11 0.00 -0.26 0.00 0.00 57.72 57.44 3hyr n HIS 225 Cb 0.33 -0.21 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 3hyr n HIS 225 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3hyr h LEU 226 N 0.00 0.22 -0.70 2.41 5.85 -1.56 0.54 115.31 122.07 3hyr h LEU 226 Ca 0.00 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3hyr h LEU 226 Cb 0.64 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3hyr h LEU 226 CO 0.00 0.35 0.39 0.44 -0.34 0.00 0.00 178.44 179.28 3hyr h ASP 227 N 0.09 0.87 -0.18 1.25 5.19 -1.81 0.38 116.42 122.21 3hyr h ASP 227 Ca 0.05 -0.09 0.02 0.00 -0.62 0.00 0.00 57.03 56.40 3hyr h ASP 227 Cb 0.20 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 3hyr h ASP 227 CO -0.00 0.71 0.02 0.00 -3.12 0.00 0.00 179.24 176.85 3hyr h ALA 228 N 1.20 0.17 -0.03 3.45 0.00 -1.81 0.65 119.26 122.88 3hyr h ALA 228 Ca 0.25 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3hyr h ALA 228 Cb 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3hyr h ALA 228 CO -0.04 -0.42 -0.21 0.00 0.00 0.00 0.00 179.25 178.58 3hyr h ALA 229 N 1.13 -0.25 -0.90 0.00 0.00 -0.13 -1.66 119.26 117.46 3hyr h ALA 229 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hyr h ALA 229 Cb 0.08 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3hyr h ALA 229 CO -0.12 -0.70 0.49 -0.07 0.00 0.00 0.00 179.25 178.85 3hyr h LEU 230 N -0.33 1.12 -0.97 0.00 3.38 -0.18 -0.67 115.31 117.67 3hyr h LEU 230 Ca 0.07 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3hyr h LEU 230 Cb 0.42 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3hyr h LEU 230 CO -0.22 0.90 0.28 0.00 0.09 0.00 0.00 178.44 179.50 3hyr h ALA 231 N 1.27 1.19 0.07 1.53 0.00 -0.68 -2.38 119.26 120.25 3hyr h ALA 231 Ca 0.31 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hyr h ALA 231 Cb 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3hyr h ALA 231 CO -0.05 0.59 -0.03 -0.09 0.00 0.00 0.00 179.25 179.67 3hyr h ARG 232 N 1.01 -0.09 -1.01 0.00 2.43 -0.81 -3.27 114.38 112.64 3hyr h ARG 232 Ca 0.24 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.50 3hyr h ARG 232 Cb 0.18 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.68 3hyr h ARG 232 CO -0.02 0.11 0.64 -0.07 -1.51 0.00 0.00 179.97 179.13 3hyr h LEU 233 N -0.28 0.99 -0.51 3.80 3.38 -0.84 -2.48 115.31 119.37 3hyr h LEU 233 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hyr h LEU 233 Cb 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hyr h LEU 233 CO 0.02 0.58 0.00 0.54 0.09 0.00 0.00 178.44 179.67 3hyr n ARG 234 N -4.56 0.11 0.11 1.13 1.74 -0.92 0.09 116.66 114.36 3hyr n ARG 234 Ca 0.17 0.41 -0.03 0.00 -0.77 0.00 0.00 57.85 57.63 3hyr n ARG 234 Cb 0.27 -1.73 0.04 0.00 -1.02 0.00 0.00 32.46 30.01 3hyr n ARG 234 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3hyr h ASN 235 N 0.00 0.00 -0.06 0.55 -0.26 -1.57 -3.43 115.58 110.81 3hyr h ASN 235 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hyr h ASN 235 Cb 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 3hyr h ASN 235 CO 0.00 0.75 0.00 -0.62 -1.06 0.00 0.00 177.43 176.50 3hyr n GLU 236 N -3.49 2.15 -0.02 0.81 -0.58 0.11 -5.18 120.64 114.44 3hyr n GLU 236 Ca -0.00 -1.68 -0.01 0.00 -0.42 0.00 0.00 57.16 55.05 3hyr n GLU 236 Cb 0.77 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 30.11 3hyr n GLU 236 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hyr n ASP 238 N 1.03 3.06 -3.17 1.62 8.00 -1.26 -5.09 116.55 120.74 3hyr n ASP 238 Ca 0.16 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.54 3hyr n ASP 238 Cb 0.53 0.97 -0.05 0.00 -0.02 0.00 0.00 41.12 42.55 3hyr n ASP 238 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3hyr s ASP 239 N -3.57 0.02 0.19 -2.24 1.11 -1.26 -5.05 116.67 105.88 3hyr s ASP 239 Ca -0.04 -1.80 -0.12 0.00 0.18 0.00 0.00 52.55 50.77 3hyr s ASP 239 Cb 0.04 0.97 0.22 0.00 1.07 0.00 0.00 42.92 45.22 3hyr s ASP 239 CO 0.33 -0.17 1.69 1.55 1.18 0.00 0.00 175.17 179.76 3hyr h PRO 240 N 6.16 0.16 -0.29 8.23 0.13 -1.93 0.87 132.00 145.34 3hyr h PRO 240 Ca 0.10 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 3hyr h PRO 240 Cb 1.06 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3hyr h PRO 240 CO 0.16 0.11 -0.09 0.00 -0.23 0.00 0.00 178.00 177.95 3hyr h ALA 241 N 1.45 1.31 -0.00 -0.56 0.00 -1.89 -2.17 119.26 117.39 3hyr h ALA 241 Ca 0.27 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 3hyr h ALA 241 Cb 0.40 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hyr h ALA 241 CO -0.40 0.46 -0.97 1.25 0.00 0.00 0.00 179.25 179.59 3hyr h LEU 242 N 0.44 0.66 -1.48 0.00 7.12 -1.65 -2.04 115.31 118.36 3hyr h LEU 242 Ca 0.09 -0.53 0.05 0.00 0.13 0.00 0.00 57.88 57.62 3hyr h LEU 242 Cb 0.43 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.33 3hyr h LEU 242 CO 0.02 1.33 0.41 0.45 -0.13 0.00 0.00 178.44 180.52 3hyr h HIS 243 N 0.29 0.65 -0.10 1.25 3.86 -0.68 0.37 115.15 120.80 3hyr h HIS 243 Ca -0.09 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 3hyr h HIS 243 Cb 1.61 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 29.86 3hyr h HIS 243 CO 0.07 0.37 -0.01 0.82 0.86 0.00 0.00 177.93 180.04 3hyr h ILE 244 N 0.66 1.27 -0.25 2.45 2.04 -1.26 -1.63 117.51 120.79 3hyr h ILE 244 Ca 0.26 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.27 3hyr h ILE 244 Cb 0.18 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3hyr h ILE 244 CO -0.07 0.24 0.13 0.00 0.00 0.00 0.00 178.15 178.44 3hyr h ALA 245 N 0.71 0.30 -0.68 1.87 0.00 -0.70 -2.31 119.26 118.45 3hyr h ALA 245 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hyr h ALA 245 Cb 0.38 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3hyr h ALA 245 CO 0.01 -0.27 0.40 -0.44 0.00 0.00 0.00 179.25 178.95 3hyr h ASP 246 N 0.27 0.82 -0.07 0.00 3.32 -0.27 -1.83 116.42 118.65 3hyr h ASP 246 Ca 0.10 -0.05 -0.24 0.00 0.02 0.00 0.00 57.03 56.87 3hyr h ASP 246 Cb 0.02 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.38 3hyr h ASP 246 CO -0.07 0.63 -0.87 0.00 -1.72 0.00 0.00 179.24 177.22 3hyr h ALA 247 N 1.51 0.27 -0.26 3.45 0.00 -1.10 -1.01 119.26 122.11 3hyr h ALA 247 Ca 0.25 -0.64 0.03 0.00 0.00 0.00 0.00 54.91 54.55 3hyr h ALA 247 Cb -0.03 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hyr h ALA 247 CO -0.05 0.69 0.09 0.00 0.00 0.00 0.00 179.25 179.99 3hyr h ARG 248 N 0.48 0.21 -0.53 0.00 3.08 -1.28 -1.49 114.38 114.83 3hyr h ARG 248 Ca -0.08 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3hyr h ARG 248 Cb 1.50 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.48 3hyr h ARG 248 CO 0.17 0.14 0.23 -0.92 -1.07 0.00 0.00 179.97 178.53 3hyr h TYR 249 N 0.21 0.79 -0.20 3.04 3.20 -1.27 -0.86 116.97 121.90 3hyr h TYR 249 Ca 0.11 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.97 3hyr h TYR 249 Cb 0.08 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 3hyr h TYR 249 CO -0.13 0.64 -0.01 0.37 -1.64 0.00 0.00 178.16 177.39 3hyr h GLN 250 N 0.72 0.04 -0.36 1.82 4.15 -0.97 0.20 115.11 120.72 3hyr h GLN 250 Ca 0.18 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.63 3hyr h GLN 250 Cb 0.16 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 3hyr h GLN 250 CO -0.02 0.03 0.15 0.00 -1.93 0.00 0.00 178.83 177.06 3hyr h ILE 252 N 0.31 1.28 -0.07 0.00 1.08 -0.75 -2.58 117.51 116.78 3hyr h ILE 252 Ca 0.16 -1.06 -0.10 0.00 -0.39 0.00 0.00 64.86 63.47 3hyr h ILE 252 Cb 0.10 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 3hyr h ILE 252 CO -0.14 0.33 -0.40 0.00 -0.69 0.00 0.00 178.15 177.25 3hyr h ALA 253 N 0.77 1.20 -0.64 1.87 0.00 -0.56 -0.97 119.26 120.92 3hyr h ALA 253 Ca 0.07 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 3hyr h ALA 253 Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hyr h ALA 253 CO 0.02 0.56 0.05 0.00 0.00 0.00 0.00 179.25 179.89 3hyr h ALA 254 N 1.46 0.86 -0.21 0.00 0.00 -1.18 -1.60 119.26 118.59 3hyr h ALA 254 Ca 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3hyr h ALA 254 Cb 0.77 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hyr h ALA 254 CO 0.06 0.67 0.05 0.82 0.00 0.00 0.00 179.25 180.84 3hyr h ILE 255 N 1.01 1.21 -0.11 0.00 2.04 -1.03 -3.18 117.51 117.45 3hyr h ILE 255 Ca 0.19 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 3hyr h ILE 255 Cb 0.51 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3hyr h ILE 255 CO 0.02 0.22 -0.25 0.00 0.00 0.00 0.00 178.15 178.14 3hyr h ASP 257 N 0.18 1.07 -0.04 0.00 3.32 -1.28 -1.19 116.42 118.48 3hyr h ASP 257 Ca 0.03 -0.23 -0.24 0.00 0.02 0.00 0.00 57.03 56.61 3hyr h ASP 257 Cb 0.54 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 39.82 3hyr h ASP 257 CO 0.04 1.02 -0.91 0.58 -1.72 0.00 0.00 179.24 178.24 3hyr h VAL 258 N 1.07 1.29 0.20 -1.35 2.07 -1.44 -3.39 116.25 114.71 3hyr h VAL 258 Ca 0.22 -2.14 -0.35 0.00 0.82 0.00 0.00 66.70 65.25 3hyr h VAL 258 Cb 0.37 2.29 0.02 0.00 -1.52 0.00 0.00 31.29 32.44 3hyr h VAL 258 CO 0.00 0.66 -1.69 0.58 0.02 0.00 0.00 177.57 177.15 3hyr h VAL 259 N 0.38 1.02 -0.02 2.57 2.07 -1.03 -3.45 116.25 117.79 3hyr h VAL 259 Ca -0.10 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.85 3hyr h VAL 259 Cb 1.57 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 34.16 3hyr h VAL 259 CO 0.18 0.85 0.00 -1.54 0.02 0.00 0.00 177.57 177.08