#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sto s LYS 2 N 0.00 3.55 0.26 2.12 3.01 -1.26 -4.99 119.74 122.43 1sto s LYS 2 Ca 0.00 -0.09 -0.04 0.00 -1.01 0.00 0.00 55.97 54.83 1sto s LYS 2 Cb 0.00 -3.12 0.50 0.00 -1.01 0.00 0.00 37.83 34.20 1sto s LYS 2 CO 0.00 0.69 1.41 -2.30 0.51 0.00 0.00 175.35 175.67 1sto n PRO 3 N 1.38 -0.08 -0.16 -1.68 -0.02 -1.26 -0.94 135.00 132.25 1sto n PRO 3 Ca -0.14 1.40 0.02 0.00 -2.02 0.00 0.00 63.50 62.76 1sto n PRO 3 Cb 0.53 -2.12 0.30 0.00 -0.02 0.00 0.00 33.50 32.19 1sto n PRO 3 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1sto h TYR 4 N 0.00 0.82 -1.01 6.00 -0.00 -2.00 -1.04 116.97 119.75 1sto h TYR 4 Ca 0.47 0.02 0.01 0.00 0.00 0.00 0.00 58.73 59.23 1sto h TYR 4 Cb 0.81 -0.28 -0.05 0.00 0.00 0.00 0.00 36.73 37.21 1sto h TYR 4 CO -0.62 0.51 0.67 1.96 -0.00 0.00 0.00 178.16 180.67 1sto h GLN 5 N 0.88 1.32 0.20 0.10 4.20 -1.37 0.15 115.11 120.60 1sto h GLN 5 Ca 0.24 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1sto h GLN 5 Cb -0.08 -0.30 0.00 0.00 0.30 0.00 0.00 27.48 27.40 1sto h GLN 5 CO -0.05 0.87 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.79 1sto h ARG 6 N 1.36 -0.26 0.00 1.46 2.43 -1.04 -2.84 114.38 115.49 1sto h ARG 6 Ca 0.37 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.47 1sto h ARG 6 Cb -0.15 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1sto h ARG 6 CO -0.08 -0.13 -0.41 1.96 -1.51 0.00 0.00 179.97 179.80 1sto h GLN 7 N -0.33 0.00 -0.13 0.20 4.20 -1.07 -2.89 115.11 115.08 1sto h GLN 7 Ca -0.03 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1sto h GLN 7 Cb 0.25 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1sto h GLN 7 CO 0.05 0.41 -0.04 0.35 -0.67 0.00 0.00 178.83 178.93 1sto h PHE 8 N 0.00 -0.09 -0.02 2.96 3.57 -0.68 2.56 116.94 125.23 1sto h PHE 8 Ca -0.00 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1sto h PHE 8 Cb 0.74 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 1sto h PHE 8 CO 0.00 -0.07 -0.12 0.82 -2.23 0.00 0.00 178.31 176.71 1sto h ILE 9 N -0.02 0.70 -0.23 1.41 1.08 -1.35 1.58 117.51 120.68 1sto h ILE 9 Ca 0.07 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.60 1sto h ILE 9 Cb 0.12 0.70 -0.06 0.00 -3.07 0.00 0.00 36.82 34.50 1sto h ILE 9 CO -0.15 0.00 -0.19 -0.33 -0.69 0.00 0.00 178.15 176.80 1sto h GLU 10 N -0.19 -0.18 0.07 2.37 4.39 -1.24 1.39 114.58 121.20 1sto h GLU 10 Ca 0.05 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.77 1sto h GLU 10 Cb 0.26 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1sto h GLU 10 CO -0.13 -0.12 -0.09 0.35 -1.16 0.00 0.00 179.01 177.86 1sto h PHE 11 N -0.18 -0.24 -0.72 4.33 3.57 0.53 -2.23 116.94 122.01 1sto h PHE 11 Ca 0.13 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.74 1sto h PHE 11 Cb 0.39 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.15 1sto h PHE 11 CO -0.34 -0.14 0.34 0.00 -2.23 0.00 0.00 178.31 175.93 1sto h ALA 12 N 0.72 0.99 0.39 2.41 0.00 0.34 -2.59 119.26 121.52 1sto h ALA 12 Ca 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1sto h ALA 12 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sto h ALA 12 CO -0.04 -0.08 -0.19 -0.07 0.00 0.00 0.00 179.25 178.87 1sto h LEU 13 N 0.57 -0.45 -1.26 0.00 -0.00 0.24 -1.99 115.31 112.42 1sto h LEU 13 Ca 0.36 0.02 0.35 0.00 -0.00 0.00 0.00 57.88 58.61 1sto h LEU 13 Cb 0.42 0.12 -0.13 0.00 -0.00 0.00 0.00 40.66 41.07 1sto h LEU 13 CO -0.30 -0.31 0.71 0.78 -0.00 0.00 0.00 178.44 179.33 1sto h ASN 14 N -0.55 0.39 0.34 -0.43 -0.26 -1.44 2.33 115.58 115.95 1sto h ASN 14 Ca -0.05 0.14 -0.10 0.00 -0.56 0.00 0.00 56.30 55.73 1sto h ASN 14 Cb 0.40 0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.75 1sto h ASN 14 CO 0.09 -0.10 -0.42 0.11 -1.06 0.00 0.00 177.43 176.05 1sto h LYS 15 N 0.24 0.11 0.00 0.81 1.79 -1.43 -3.46 116.57 114.62 1sto h LYS 15 Ca 0.73 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.15 1sto h LYS 15 Cb 1.99 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.64 1sto h LYS 15 CO -0.45 0.51 0.00 1.04 -1.08 0.00 0.00 179.45 179.47 1sto n GLN 16 N -4.03 0.00 -0.21 3.15 6.02 0.78 -4.88 117.38 118.21 1sto n GLN 16 Ca -0.02 0.01 -0.06 0.00 -0.01 0.00 0.00 57.00 56.92 1sto n GLN 16 Cb 0.46 -2.85 0.10 0.00 1.02 0.00 0.00 30.24 28.97 1sto n GLN 16 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1sto h VAL 17 N 0.00 1.25 -3.57 5.09 3.04 -1.57 -3.38 116.25 117.10 1sto h VAL 17 Ca 0.00 -0.93 -0.64 0.00 -1.01 0.00 0.00 66.70 64.13 1sto h VAL 17 Cb 0.00 0.58 -0.14 0.00 -2.01 0.00 0.00 31.29 29.72 1sto h VAL 17 CO 0.00 0.35 0.11 -0.22 -1.01 0.00 0.00 177.57 176.80 1sto s LEU 18 N -9.47 4.29 0.02 3.16 0.20 -1.04 -0.01 118.68 115.84 1sto s LEU 18 Ca -0.11 0.07 0.05 0.00 0.69 0.00 0.00 54.13 54.83 1sto s LEU 18 Cb 0.15 -2.75 -0.02 0.00 -0.43 0.00 0.00 46.19 43.15 1sto s LEU 18 CO 0.83 -0.59 -0.15 -0.75 -0.29 0.00 0.00 176.35 175.40 1sto s LYS 19 N 2.66 1.09 -0.23 1.98 2.20 -0.49 -4.65 119.74 122.30 1sto s LYS 19 Ca 0.23 -0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 55.13 1sto s LYS 19 Cb -0.15 -1.10 0.01 0.00 -1.51 0.00 0.00 37.83 35.08 1sto s LYS 19 CO 0.15 0.29 -0.06 -0.06 -0.36 0.00 0.00 175.35 175.31 1sto s PHE 20 N -0.63 2.98 0.00 4.03 0.08 -1.26 -2.10 117.98 121.08 1sto s PHE 20 Ca 0.04 -1.20 0.00 0.00 0.12 0.00 0.00 56.93 55.89 1sto s PHE 20 Cb -0.07 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 1sto s PHE 20 CO 0.01 -0.63 0.00 0.41 -0.10 0.00 0.00 175.22 174.90 1sto n GLY 21 N 4.74 -0.75 2.77 4.36 0.00 -0.44 -5.02 105.19 110.86 1sto n GLY 21 Ca -0.18 0.57 -0.01 0.00 0.00 0.00 0.00 46.02 46.40 1sto n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sto s GLU 22 N 0.79 0.35 0.46 1.61 2.12 -1.26 -4.74 118.70 118.03 1sto s GLU 22 Ca 0.00 -0.25 0.08 0.00 0.36 0.00 0.00 54.97 55.17 1sto s GLU 22 Cb 0.00 0.01 0.03 0.00 0.26 0.00 0.00 34.13 34.43 1sto s GLU 22 CO 0.00 -0.46 0.63 -0.06 -0.54 0.00 0.00 175.26 174.83 1sto s PHE 23 N 1.44 2.44 -0.28 5.30 0.08 -0.24 -4.98 117.98 121.75 1sto s PHE 23 Ca 0.20 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 56.77 1sto s PHE 23 Cb 0.06 -2.35 0.09 0.00 -0.57 0.00 0.00 43.02 40.25 1sto s PHE 23 CO -0.11 -0.62 0.06 0.99 -0.10 0.00 0.00 175.22 175.44 1sto s THR 24 N -2.44 1.00 1.17 0.64 2.01 -1.26 -2.46 115.64 114.30 1sto s THR 24 Ca 0.57 -1.29 -0.14 0.00 0.31 0.00 0.00 61.69 61.14 1sto s THR 24 Cb -0.09 -1.64 0.25 0.00 0.01 0.00 0.00 72.50 71.03 1sto s THR 24 CO 0.35 -0.51 0.78 0.18 -0.69 0.00 0.00 174.62 174.73 1sto n LEU 25 N 4.82 -1.69 0.07 4.42 4.77 -0.10 -4.84 117.00 124.45 1sto n LEU 25 Ca -0.04 -0.16 0.08 0.00 -0.03 0.00 0.00 56.01 55.86 1sto n LEU 25 Cb 0.43 -1.19 0.36 0.00 -2.33 0.00 0.00 43.42 40.69 1sto n LEU 25 CO 0.13 -3.27 0.74 1.17 -1.33 0.00 0.00 177.39 174.84 1sto n LYS 26 N -4.30 0.08 0.04 3.23 4.81 -1.26 -1.84 118.16 118.93 1sto n LYS 26 Ca 0.02 0.42 -0.01 0.00 -0.87 0.00 0.00 58.31 57.87 1sto n LYS 26 Cb 0.56 -1.69 -0.08 0.00 0.02 0.00 0.00 35.03 33.84 1sto n LYS 26 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1sto h SER 27 N 0.00 0.00 0.00 3.14 4.64 -2.01 -3.48 113.55 115.84 1sto h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sto h SER 27 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1sto h SER 27 CO 0.00 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 1sto n GLY 28 N 1.39 1.75 3.66 -0.77 0.00 -0.76 -5.10 105.19 105.36 1sto n GLY 28 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1sto n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sto s ARG 29 N -0.31 0.20 -0.63 1.61 0.52 -1.26 -4.73 118.95 114.35 1sto s ARG 29 Ca 0.00 0.46 0.05 0.00 -0.52 0.00 0.00 55.73 55.71 1sto s ARG 29 Cb 0.00 -1.72 0.17 0.00 0.52 0.00 0.00 34.95 33.92 1sto s ARG 29 CO 0.00 -2.87 0.46 1.17 0.02 0.00 0.00 175.30 174.08 1sto n LYS 30 N -4.26 1.39 -1.50 3.54 4.81 -1.26 -0.93 118.16 119.95 1sto n LYS 30 Ca 0.05 -4.13 -0.31 0.00 -0.87 0.00 0.00 58.31 53.05 1sto n LYS 30 Cb 0.57 -2.12 0.06 0.00 0.02 0.00 0.00 35.03 33.57 1sto n LYS 30 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1sto s SER 31 N -1.07 5.15 0.01 3.14 0.15 -1.03 -4.79 113.70 115.26 1sto s SER 31 Ca 0.27 1.64 0.23 0.00 0.70 0.00 0.00 55.95 58.80 1sto s SER 31 Cb -0.02 -2.48 0.15 0.00 -1.71 0.00 0.00 66.02 61.97 1sto s SER 31 CO -0.18 -1.60 1.15 -0.81 1.20 0.00 0.00 173.24 173.01 1sto n PRO 32 N -3.23 0.08 -4.04 5.44 -0.04 -1.26 -1.08 135.00 130.87 1sto n PRO 32 Ca 0.08 -0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 1sto n PRO 32 Cb 0.54 -1.53 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 1sto n PRO 32 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1sto s TYR 33 N -3.05 0.44 0.00 0.54 1.13 -1.26 -1.32 117.35 113.83 1sto s TYR 33 Ca 0.08 -0.75 0.01 0.00 -1.41 0.00 0.00 57.07 55.00 1sto s TYR 33 Cb 0.16 -0.31 -0.01 0.00 -1.10 0.00 0.00 41.96 40.71 1sto s TYR 33 CO 0.78 -0.25 -0.04 0.12 -2.51 0.00 0.00 175.55 173.65 1sto s PHE 34 N -2.51 0.38 -0.14 -3.49 5.36 -0.89 -4.88 117.98 111.81 1sto s PHE 34 Ca -0.05 -0.15 0.01 0.00 -0.96 0.00 0.00 56.93 55.79 1sto s PHE 34 Cb -0.02 -0.24 -0.00 0.00 -0.34 0.00 0.00 43.02 42.41 1sto s PHE 34 CO -0.04 -0.03 -0.18 0.12 -1.46 0.00 0.00 175.22 173.63 1sto s PHE 35 N -0.33 2.71 -0.46 10.12 2.19 -1.26 -1.40 117.98 129.56 1sto s PHE 35 Ca -0.01 -1.07 0.06 0.00 0.33 0.00 0.00 56.93 56.25 1sto s PHE 35 Cb -0.03 -1.83 0.22 0.00 -1.31 0.00 0.00 43.02 40.07 1sto s PHE 35 CO -0.00 -0.47 0.50 -1.71 1.83 0.00 0.00 175.22 175.38 1sto n ASN 36 N 3.89 0.73 0.09 6.13 5.15 0.98 -4.95 115.26 127.30 1sto n ASN 36 Ca -0.19 -2.76 0.09 0.00 -0.60 0.00 0.00 54.58 51.13 1sto n ASN 36 Cb 0.52 -0.63 0.15 0.00 -0.53 0.00 0.00 39.78 39.29 1sto n ASN 36 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sto n ALA 37 N 1.75 0.34 0.30 5.20 0.00 -1.26 -0.97 120.51 125.87 1sto n ALA 37 Ca 0.25 0.12 0.18 0.00 0.00 0.00 0.00 53.44 53.98 1sto n ALA 37 Cb 0.49 -0.20 1.00 0.00 0.00 0.00 0.00 19.45 20.74 1sto n ALA 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sto h GLY 38 N 0.00 0.00 -0.79 0.00 0.00 -1.96 -2.41 103.07 97.92 1sto h GLY 38 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1sto h GLY 38 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1sto n LEU 39 N -3.56 0.77 -4.26 3.11 7.99 -0.14 -4.27 117.00 116.64 1sto n LEU 39 Ca -0.02 -0.39 -0.43 0.00 -0.01 0.00 0.00 56.01 55.16 1sto n LEU 39 Cb 0.12 -0.39 -0.03 0.00 -0.11 0.00 0.00 43.42 43.02 1sto n LEU 39 CO 0.24 0.19 0.51 -0.36 -1.51 0.00 0.00 177.39 176.47 1sto s PHE 40 N -1.21 3.96 -0.16 -1.77 0.08 -0.91 -4.87 117.98 113.10 1sto s PHE 40 Ca 0.00 -2.56 0.15 0.00 0.12 0.00 0.00 56.93 54.64 1sto s PHE 40 Cb 0.00 -3.65 0.34 0.00 -0.57 0.00 0.00 43.02 39.14 1sto s PHE 40 CO 0.00 -0.91 1.18 0.27 -0.10 0.00 0.00 175.22 175.66 1sto n ASN 41 N 3.08 1.96 -3.99 1.36 0.23 -1.26 -4.81 115.26 111.83 1sto n ASN 41 Ca 0.19 -3.37 -0.09 0.00 -0.53 0.00 0.00 54.58 50.78 1sto n ASN 41 Cb 0.41 -0.46 -0.08 0.00 -2.08 0.00 0.00 39.78 37.56 1sto n ASN 41 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1sto s THR 42 N -2.86 0.14 0.11 5.53 2.01 -1.26 -5.05 115.64 114.26 1sto s THR 42 Ca 0.34 -1.52 -0.32 0.00 0.31 0.00 0.00 61.69 60.49 1sto s THR 42 Cb 0.31 -1.61 -0.12 0.00 0.01 0.00 0.00 72.50 71.09 1sto s THR 42 CO -0.02 -0.64 1.58 1.23 -0.69 0.00 0.00 174.62 176.08 1sto h GLY 43 N 2.84 -0.94 0.42 4.40 0.00 -1.98 0.90 103.07 108.71 1sto h GLY 43 Ca -0.34 0.53 0.10 0.00 0.00 0.00 0.00 47.33 47.62 1sto h GLY 43 CO 0.58 -0.29 0.37 -0.09 0.00 0.00 0.00 176.54 177.11 1sto h ARG 44 N -0.72 0.59 -0.81 4.80 2.43 -1.98 0.37 114.38 119.05 1sto h ARG 44 Ca 0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1sto h ARG 44 Cb 0.72 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 1sto h ARG 44 CO -0.21 0.39 0.43 -0.44 -1.51 0.00 0.00 179.97 178.63 1sto h ASP 45 N 0.61 1.02 0.08 -3.80 3.32 -1.57 0.19 116.42 116.27 1sto h ASP 45 Ca 0.37 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.22 1sto h ASP 45 Cb 0.42 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1sto h ASP 45 CO -0.29 0.83 -0.36 -0.07 -1.72 0.00 0.00 179.24 177.63 1sto h LEU 46 N 1.14 0.40 -0.00 1.55 4.07 -0.06 -1.40 115.31 121.00 1sto h LEU 46 Ca 0.28 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 1sto h LEU 46 Cb 0.05 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 1sto h LEU 46 CO -0.04 0.73 -0.00 0.00 -1.08 0.00 0.00 178.44 178.04 1sto h ALA 47 N 1.30 0.01 0.32 1.53 0.00 0.26 -3.04 119.26 119.64 1sto h ALA 47 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1sto h ALA 47 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1sto h ALA 47 CO 0.06 -0.31 -0.16 -0.07 0.00 0.00 0.00 179.25 178.78 1sto h LEU 48 N -0.35 -0.37 -0.90 0.00 -0.00 -1.15 -3.00 115.31 109.55 1sto h LEU 48 Ca 0.00 -0.09 0.23 0.00 -0.00 0.00 0.00 57.88 58.02 1sto h LEU 48 Cb 0.37 0.10 -0.16 0.00 -0.00 0.00 0.00 40.66 40.96 1sto h LEU 48 CO 0.00 -0.13 0.03 0.25 -0.00 0.00 0.00 178.44 178.58 1sto h LEU 49 N -0.60 -0.41 -0.01 1.67 5.85 -1.34 1.03 115.31 121.51 1sto h LEU 49 Ca -0.04 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1sto h LEU 49 Cb 0.43 0.42 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1sto h LEU 49 CO 0.07 -0.27 0.00 0.61 -0.34 0.00 0.00 178.44 178.51 1sto n GLY 50 N -1.47 -1.36 0.09 3.75 0.00 -1.15 -1.77 105.19 103.28 1sto n GLY 50 Ca 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 1sto n GLY 50 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sto h ARG 51 N 0.00 0.00 0.06 1.61 3.08 0.12 -2.56 114.38 116.69 1sto h ARG 51 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1sto h ARG 51 Cb 0.43 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.50 1sto h ARG 51 CO 0.00 0.69 -0.51 0.74 -1.07 0.00 0.00 179.97 179.82 1sto h PHE 52 N 0.00 0.40 -0.46 3.04 0.04 -1.10 -2.96 116.94 115.90 1sto h PHE 52 Ca -0.08 -0.26 0.03 0.00 2.80 0.00 0.00 57.97 60.45 1sto h PHE 52 Cb 1.71 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.80 1sto h PHE 52 CO 0.00 1.14 0.26 1.88 -0.60 0.00 0.00 178.31 180.99 1sto h TYR 53 N -0.46 0.47 -0.54 -0.55 -1.99 -1.42 -1.94 116.97 110.54 1sto h TYR 53 Ca -0.08 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.68 1sto h TYR 53 Cb 1.33 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 39.88 1sto h TYR 53 CO 0.20 0.26 0.35 0.00 -0.00 0.00 0.00 178.16 178.97 1sto h ALA 54 N 1.22 0.68 -0.05 3.88 0.00 -1.54 -2.49 119.26 120.96 1sto h ALA 54 Ca 0.19 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1sto h ALA 54 Cb 0.05 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1sto h ALA 54 CO -0.11 0.10 -0.34 0.93 0.00 0.00 0.00 179.25 179.84 1sto h GLU 55 N 0.71 -0.44 0.00 0.00 4.39 -1.21 0.54 114.58 118.56 1sto h GLU 55 Ca 0.20 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1sto h GLU 55 Cb -0.06 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1sto h GLU 55 CO -0.05 -0.30 0.00 0.00 -1.16 0.00 0.00 179.01 177.50 1sto h ALA 56 N 0.27 1.00 0.00 3.43 0.00 -1.26 1.69 119.26 124.40 1sto h ALA 56 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1sto h ALA 56 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1sto h ALA 56 CO -0.31 0.00 -0.15 1.25 0.00 0.00 0.00 179.25 180.05 1sto h LEU 57 N 0.00 0.00 0.28 0.00 5.85 -0.36 -2.94 115.31 118.13 1sto h LEU 57 Ca 0.00 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 1sto h LEU 57 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1sto h LEU 57 CO 0.00 0.89 -0.13 0.58 -0.34 0.00 0.00 178.44 179.44 1sto h VAL 58 N -1.00 0.00 0.00 1.05 2.07 0.27 -1.34 116.25 117.31 1sto h VAL 58 Ca -0.03 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1sto h VAL 58 Cb 0.71 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1sto h VAL 58 CO -0.02 0.00 0.10 -0.67 0.02 0.00 0.00 177.57 177.00 1sto n ASP 59 N -3.05 0.00 -0.08 0.57 2.03 0.55 -1.96 116.55 114.62 1sto n ASP 59 Ca -0.05 0.09 -0.12 0.00 0.52 0.00 0.00 54.79 55.24 1sto n ASP 59 Cb 0.15 -0.09 -0.08 0.00 -0.72 0.00 0.00 41.12 40.37 1sto n ASP 59 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1sto h SER 60 N 0.00 0.00 0.00 1.67 4.64 -1.05 -3.49 113.55 115.33 1sto h SER 60 Ca 0.00 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1sto h SER 60 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1sto h SER 60 CO 0.00 1.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.58 1sto n GLY 61 N 1.59 0.47 3.62 -0.77 0.00 -0.83 -5.05 105.19 104.23 1sto n GLY 61 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1sto n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sto s ILE 62 N -2.19 2.24 0.04 -0.61 -1.09 -1.26 -5.01 121.20 113.31 1sto s ILE 62 Ca 0.00 0.08 0.09 0.00 -2.23 0.00 0.00 60.65 58.59 1sto s ILE 62 Cb 0.00 -2.25 -0.03 0.00 -1.58 0.00 0.00 42.46 38.60 1sto s ILE 62 CO 0.00 -0.10 -0.26 -1.83 -1.23 0.00 0.00 174.94 171.51 1sto s GLU 63 N -4.66 1.82 0.17 2.79 -1.05 -1.26 -5.02 118.70 111.49 1sto s GLU 63 Ca 0.66 -1.09 -0.16 0.00 -0.15 0.00 0.00 54.97 54.24 1sto s GLU 63 Cb -0.22 -1.97 0.02 0.00 -0.44 0.00 0.00 34.13 31.52 1sto s GLU 63 CO 0.60 0.51 0.44 -0.59 0.95 0.00 0.00 175.26 177.18 1sto s PHE 64 N -0.78 -0.06 -0.24 4.83 -0.71 -1.26 -4.85 117.98 114.91 1sto s PHE 64 Ca 0.11 -0.28 0.09 0.00 -1.04 0.00 0.00 56.93 55.81 1sto s PHE 64 Cb -0.10 0.27 -0.12 0.00 -1.21 0.00 0.00 43.02 41.86 1sto s PHE 64 CO 0.02 -0.81 0.30 -0.25 -1.34 0.00 0.00 175.22 173.14 1sto n ASP 65 N -0.28 1.51 -3.58 1.98 8.00 0.34 -4.99 116.55 119.53 1sto n ASP 65 Ca -0.11 -0.40 -0.15 0.00 0.71 0.00 0.00 54.79 54.84 1sto n ASP 65 Cb 0.63 1.19 -0.06 0.00 -0.02 0.00 0.00 41.12 42.85 1sto n ASP 65 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sto s LEU 66 N -2.96 -0.64 0.31 0.64 0.20 -1.10 -4.36 118.68 110.77 1sto s LEU 66 Ca 0.00 1.00 -0.08 0.00 0.69 0.00 0.00 54.13 55.75 1sto s LEU 66 Cb 0.06 2.37 -0.06 0.00 -0.43 0.00 0.00 46.19 48.13 1sto s LEU 66 CO 0.38 -0.38 0.62 -0.76 -0.29 0.00 0.00 176.35 175.91 1sto s LEU 67 N -0.38 4.02 -0.08 -0.68 1.43 -0.57 0.91 118.68 123.34 1sto s LEU 67 Ca -0.04 0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 53.92 1sto s LEU 67 Cb -0.03 -3.71 0.04 0.00 0.03 0.00 0.00 46.19 42.52 1sto s LEU 67 CO 0.04 -0.22 0.16 0.12 0.23 0.00 0.00 176.35 176.67 1sto s PHE 68 N -2.09 -0.19 -0.21 0.29 2.19 0.20 -3.39 117.98 114.79 1sto s PHE 68 Ca 0.47 0.56 -0.04 0.00 0.33 0.00 0.00 56.93 58.26 1sto s PHE 68 Cb -0.11 -0.14 -0.01 0.00 -1.31 0.00 0.00 43.02 41.45 1sto s PHE 68 CO 0.28 -0.21 -0.05 0.20 1.83 0.00 0.00 175.22 177.27 1sto s GLY 69 N 1.62 1.62 0.40 13.12 0.00 -1.08 -1.60 107.32 121.39 1sto s GLY 69 Ca -0.05 -1.10 -0.24 0.00 0.00 0.00 0.00 44.72 43.33 1sto s GLY 69 CO -0.06 0.32 1.03 2.56 0.00 0.00 0.00 173.10 176.95 1sto s PRO 70 N 1.26 4.20 6.98 2.90 0.05 -1.26 -3.97 135.00 145.16 1sto s PRO 70 Ca 0.03 1.46 0.00 0.00 0.05 0.00 0.00 61.00 62.54 1sto s PRO 70 Cb -0.14 -2.53 0.00 0.00 0.05 0.00 0.00 34.50 31.88 1sto s PRO 70 CO -0.01 -0.10 0.00 0.00 0.05 0.00 0.00 177.00 176.94 1sto n ALA 71 N -0.08 0.00 -0.09 8.56 0.00 -1.26 -0.85 120.51 126.79 1sto n ALA 71 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 1sto n ALA 71 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 1sto n ALA 71 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sto n TYR 72 N 14.00 0.00 1.07 0.00 4.01 -1.26 -4.66 117.16 130.32 1sto n TYR 72 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 1sto n TYR 72 Cb 0.00 -0.68 0.51 0.00 -0.31 0.00 0.00 39.34 38.86 1sto n TYR 72 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1sto n LYS 73 N -3.49 0.52 -0.13 -0.72 2.85 -1.23 -2.22 118.16 113.74 1sto n LYS 73 Ca -0.35 0.01 -0.17 0.00 -1.05 0.00 0.00 58.31 56.75 1sto n LYS 73 Cb 0.80 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.56 1sto n LYS 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1sto n GLY 74 N 0.10 -0.35 0.36 2.58 0.00 -0.02 -4.59 105.19 103.26 1sto n GLY 74 Ca 0.13 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 1sto n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1sto h ILE 75 N 0.00 0.16 0.00 -0.61 2.04 -1.55 0.23 117.51 117.78 1sto h ILE 75 Ca -0.56 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1sto h ILE 75 Cb 1.87 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1sto h ILE 75 CO -0.09 0.00 -0.07 -0.65 0.00 0.00 0.00 178.15 177.35 1sto h PRO 76 N -0.20 0.00 0.00 2.37 0.11 -1.84 -1.15 132.00 131.29 1sto h PRO 76 Ca 0.21 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.20 1sto h PRO 76 Cb 0.55 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 1sto h PRO 76 CO -0.66 0.07 -0.74 0.82 -0.21 0.00 0.00 178.00 177.28 1sto h ILE 77 N 0.00 0.97 -0.93 4.15 2.04 -1.42 -2.91 117.51 119.41 1sto h ILE 77 Ca -0.00 -1.99 0.11 0.00 1.00 0.00 0.00 64.86 63.98 1sto h ILE 77 Cb 0.18 2.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.28 1sto h ILE 77 CO 0.01 0.33 0.60 0.00 0.00 0.00 0.00 178.15 179.08 1sto h ALA 78 N -0.46 1.62 -0.36 1.87 0.00 -0.63 0.69 119.26 121.98 1sto h ALA 78 Ca -0.19 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1sto h ALA 78 Cb 1.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1sto h ALA 78 CO -0.11 0.17 0.18 1.15 0.00 0.00 0.00 179.25 180.64 1sto h THR 79 N 0.90 1.16 -0.39 0.00 2.02 -1.31 -1.55 112.91 113.75 1sto h THR 79 Ca 0.45 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 1sto h THR 79 Cb 0.47 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1sto h THR 79 CO -0.21 0.16 -0.12 0.00 0.37 0.00 0.00 175.52 175.72 1sto h THR 80 N 0.45 1.28 -0.38 3.16 1.03 -1.28 -1.75 112.91 115.41 1sto h THR 80 Ca 0.13 -1.23 -0.02 0.00 -0.01 0.00 0.00 66.41 65.27 1sto h THR 80 Cb 0.10 1.26 -0.02 0.00 -1.07 0.00 0.00 68.15 68.42 1sto h THR 80 CO -0.02 0.41 0.13 0.74 -0.01 0.00 0.00 175.52 176.77 1sto h THR 81 N 0.58 1.16 -0.52 0.00 2.02 -0.82 0.19 112.91 115.52 1sto h THR 81 Ca 0.09 -0.52 -0.08 0.00 0.77 0.00 0.00 66.41 66.68 1sto h THR 81 Cb 0.65 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1sto h THR 81 CO 0.04 0.20 0.03 0.00 0.37 0.00 0.00 175.52 176.16 1sto h ALA 82 N 1.61 0.70 -0.03 6.16 0.00 -0.81 -1.50 119.26 125.38 1sto h ALA 82 Ca 0.13 -0.27 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 1sto h ALA 82 Cb 0.15 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.76 1sto h ALA 82 CO -0.01 0.49 -0.97 -0.24 0.00 0.00 0.00 179.25 178.52 1sto h VAL 83 N 0.77 1.30 -0.06 0.00 3.04 -0.43 -2.87 116.25 118.00 1sto h VAL 83 Ca 0.15 -2.22 0.03 0.00 -1.01 0.00 0.00 66.70 63.65 1sto h VAL 83 Cb 0.48 2.30 -0.06 0.00 -2.01 0.00 0.00 31.29 32.00 1sto h VAL 83 CO 0.02 0.69 -0.47 0.00 -1.01 0.00 0.00 177.57 176.79 1sto h ALA 84 N 0.51 -0.76 -1.15 3.17 0.00 -0.66 0.05 119.26 120.41 1sto h ALA 84 Ca -0.10 -0.05 0.33 0.00 0.00 0.00 0.00 54.91 55.09 1sto h ALA 84 Cb 1.61 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 20.20 1sto h ALA 84 CO 0.19 -1.02 0.81 1.25 0.00 0.00 0.00 179.25 180.48 1sto h LEU 85 N -0.58 0.12 0.00 0.00 5.85 -1.24 0.17 115.31 119.63 1sto h LEU 85 Ca 0.04 0.03 -0.37 0.00 0.84 0.00 0.00 57.88 58.42 1sto h LEU 85 Cb 0.68 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 1sto h LEU 85 CO -0.37 0.01 -2.35 0.00 -0.34 0.00 0.00 178.44 175.39 1sto n ALA 86 N -2.69 1.49 -0.02 1.25 0.00 -0.71 0.54 120.51 120.37 1sto n ALA 86 Ca 0.26 -1.27 -0.16 0.00 0.00 0.00 0.00 53.44 52.27 1sto n ALA 86 Cb 1.16 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 20.34 1sto n ALA 86 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1sto h GLU 87 N 0.00 0.76 0.00 0.00 4.39 -0.74 -3.21 114.58 115.78 1sto h GLU 87 Ca -0.54 -0.59 -0.32 0.00 0.34 0.00 0.00 59.36 58.26 1sto h GLU 87 Cb 2.19 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 30.90 1sto h GLU 87 CO 0.02 1.21 -2.19 0.72 -1.16 0.00 0.00 179.01 177.61 1sto n HIS 88 N -3.93 0.00 0.24 4.33 8.25 0.58 -4.65 115.22 120.03 1sto n HIS 88 Ca -0.07 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1sto n HIS 88 Cb 0.72 -0.83 0.01 0.00 1.12 0.00 0.00 29.99 31.01 1sto n HIS 88 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1sto n HIS 89 N -2.87 0.00 -1.96 4.41 8.25 -1.19 -5.00 115.22 116.86 1sto n HIS 89 Ca -0.33 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 56.96 1sto n HIS 89 Cb 0.98 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.05 1sto n HIS 89 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1sto n ASP 90 N -0.12 -5.16 -4.66 0.41 9.92 -1.00 -4.94 116.55 111.00 1sto n ASP 90 Ca 0.03 0.19 -0.37 0.00 -0.53 0.00 0.00 54.79 54.11 1sto n ASP 90 Cb 0.12 -4.23 -0.09 0.00 -0.64 0.00 0.00 41.12 36.28 1sto n ASP 90 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1sto s LYS 91 N -4.25 4.09 -0.30 -1.24 -0.14 0.19 -4.92 119.74 113.17 1sto s LYS 91 Ca 0.00 -0.16 -0.07 0.00 -1.36 0.00 0.00 55.97 54.38 1sto s LYS 91 Cb 0.00 -3.55 0.01 0.00 -1.68 0.00 0.00 37.83 32.61 1sto s LYS 91 CO 0.00 0.02 0.09 0.34 -0.76 0.00 0.00 175.35 175.04 1sto s ASP 92 N 1.10 5.18 0.11 2.83 2.15 -1.26 -2.52 116.67 124.26 1sto s ASP 92 Ca 0.10 -0.70 0.03 0.00 0.43 0.00 0.00 52.55 52.42 1sto s ASP 92 Cb -0.14 -1.90 -0.04 0.00 -0.30 0.00 0.00 42.92 40.55 1sto s ASP 92 CO 0.06 -0.20 -0.09 -0.76 -0.17 0.00 0.00 175.17 174.01 1sto s LEU 93 N 1.51 2.47 -0.21 -1.34 1.43 -1.26 -5.11 118.68 116.17 1sto s LEU 93 Ca 0.03 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 1sto s LEU 93 Cb -0.17 -0.26 -0.05 0.00 0.03 0.00 0.00 46.19 45.74 1sto s LEU 93 CO 0.03 -0.33 0.22 -2.84 0.23 0.00 0.00 176.35 173.65 1sto s PRO 94 N -3.36 4.15 0.10 1.29 0.01 -1.26 -4.94 135.00 130.99 1sto s PRO 94 Ca 0.11 -0.11 0.02 0.00 0.01 0.00 0.00 61.00 61.03 1sto s PRO 94 Cb 0.01 -3.49 -0.04 0.00 0.01 0.00 0.00 34.50 30.99 1sto s PRO 94 CO -0.01 0.13 0.17 1.52 0.01 0.00 0.00 177.00 178.82 1sto s TYR 95 N 0.85 3.35 0.38 6.54 1.13 -1.26 -1.51 117.35 126.83 1sto s TYR 95 Ca 0.11 0.13 -0.09 0.00 -1.41 0.00 0.00 57.07 55.81 1sto s TYR 95 Cb -0.13 -1.66 0.03 0.00 -1.10 0.00 0.00 41.96 39.10 1sto s TYR 95 CO 0.04 0.54 0.65 0.00 -2.51 0.00 0.00 175.55 174.27 1sto s PHE 97 N -2.50 0.43 -0.08 0.00 -0.12 -0.02 -2.65 117.98 113.04 1sto s PHE 97 Ca 0.23 -0.81 0.03 0.00 -0.05 0.00 0.00 56.93 56.33 1sto s PHE 97 Cb -0.03 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.58 1sto s PHE 97 CO 0.17 -1.10 -0.15 0.54 -0.05 0.00 0.00 175.22 174.63 1sto s ASN 98 N -3.06 3.89 -0.45 1.98 4.22 -1.25 0.25 114.94 120.52 1sto s ASN 98 Ca 0.22 -0.29 -0.26 0.00 -2.14 0.00 0.00 52.86 50.39 1sto s ASN 98 Cb -0.01 -1.14 0.03 0.00 1.28 0.00 0.00 41.25 41.41 1sto s ASN 98 CO 0.11 0.26 0.96 -0.60 -2.04 0.00 0.00 177.10 175.80 1sto s ARG 99 N -0.25 3.63 -1.32 3.55 3.52 -0.70 -4.43 118.95 122.95 1sto s ARG 99 Ca 0.01 0.31 -0.16 0.00 -0.13 0.00 0.00 55.73 55.76 1sto s ARG 99 Cb -0.13 -3.90 0.09 0.00 -1.56 0.00 0.00 34.95 29.45 1sto s ARG 99 CO 0.03 -1.20 1.80 1.17 -0.81 0.00 0.00 175.30 176.29 1sto n LYS 100 N 7.20 3.19 -3.94 5.12 4.81 -1.26 -3.27 118.16 130.01 1sto n LYS 100 Ca 0.07 -3.26 -0.20 0.00 -0.87 0.00 0.00 58.31 54.05 1sto n LYS 100 Cb 0.48 -3.33 -0.17 0.00 0.02 0.00 0.00 35.03 32.03 1sto n LYS 100 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sto s ALA 101 N 3.26 0.58 0.00 3.14 0.00 -1.26 -4.87 121.76 122.61 1sto s ALA 101 Ca 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1sto s ALA 101 Cb 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1sto s ALA 101 CO 0.03 -0.21 0.57 0.00 0.00 0.00 0.00 175.76 176.15 1sto n ALA 102 N 4.53 0.73 0.00 0.00 0.00 -1.26 -4.85 120.51 119.65 1sto n ALA 102 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1sto n ALA 102 Cb 0.50 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1sto n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sto n GLY 108 N 3.17 3.29 0.00 0.00 0.00 -1.20 -5.28 105.19 105.17 1sto n GLY 108 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1sto n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sto n GLY 109 N -1.47 0.00 0.76 -0.02 0.00 -1.26 -4.25 105.19 98.95 1sto n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sto n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sto n SER 110 N -3.52 0.00 -4.74 1.61 7.64 -1.26 -3.61 113.62 109.74 1sto n SER 110 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1sto n SER 110 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1sto n SER 110 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sto s LEU 111 N -0.71 3.35 -0.31 -3.43 1.02 -1.26 -1.72 118.68 115.62 1sto s LEU 111 Ca 0.00 2.23 0.02 0.00 0.02 0.00 0.00 54.13 56.40 1sto s LEU 111 Cb 0.00 -4.58 0.09 0.00 0.02 0.00 0.00 46.19 41.72 1sto s LEU 111 CO 0.00 -2.01 0.03 -0.69 0.02 0.00 0.00 176.35 173.70 1sto s VAL 112 N -2.10 1.82 -1.51 -1.59 1.01 0.68 -4.90 120.40 113.80 1sto s VAL 112 Ca 0.72 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1sto s VAL 112 Cb -0.26 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1sto s VAL 112 CO 0.43 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1sto n GLY 113 N 4.47 0.39 0.12 4.51 0.00 -1.26 -0.84 105.19 112.58 1sto n GLY 113 Ca -0.02 -1.83 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 1sto n GLY 113 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sto n SER 114 N 0.00 -1.98 -0.26 1.61 7.64 -0.51 -4.91 113.62 115.20 1sto n SER 114 Ca 0.00 -0.03 -0.07 0.00 1.01 0.00 0.00 58.87 59.78 1sto n SER 114 Cb 0.00 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.10 1sto n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sto n ALA 115 N -2.95 -0.40 -2.76 -0.43 0.00 -1.26 -4.84 120.51 107.87 1sto n ALA 115 Ca -0.01 0.53 -0.09 0.00 0.00 0.00 0.00 53.44 53.88 1sto n ALA 115 Cb 0.02 -0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.51 1sto n ALA 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sto n LEU 116 N -4.53 -2.81 -4.14 0.00 4.77 -1.26 -5.06 117.00 103.97 1sto n LEU 116 Ca 0.01 -0.26 -0.28 0.00 -0.03 0.00 0.00 56.01 55.44 1sto n LEU 116 Cb 0.16 -1.66 -0.17 0.00 -2.33 0.00 0.00 43.42 39.43 1sto n LEU 116 CO -0.10 0.21 -0.52 -1.58 -1.33 0.00 0.00 177.39 174.07 1sto s GLN 117 N -4.95 2.36 2.09 3.23 0.74 -1.26 -4.36 119.66 117.51 1sto s GLN 117 Ca 0.09 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.83 1sto s GLN 117 Cb -0.04 -1.87 0.00 0.00 1.10 0.00 0.00 33.01 32.20 1sto s GLN 117 CO 0.32 0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.62 1sto n GLY 118 N 3.54 0.64 3.41 2.59 0.00 -1.26 -4.81 105.19 109.29 1sto n GLY 118 Ca -0.20 -1.28 -0.45 0.00 0.00 0.00 0.00 46.02 44.10 1sto n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sto s ARG 119 N 0.00 3.40 0.29 1.61 0.52 -1.26 0.06 118.95 123.57 1sto s ARG 119 Ca 0.00 -1.66 -0.29 0.00 -0.52 0.00 0.00 55.73 53.25 1sto s ARG 119 Cb 0.00 -4.58 -0.10 0.00 0.52 0.00 0.00 34.95 30.79 1sto s ARG 119 CO 0.00 -1.64 1.16 0.08 0.02 0.00 0.00 175.30 174.92 1sto s VAL 120 N 2.41 3.28 -0.26 3.52 1.01 -0.70 0.13 120.40 129.78 1sto s VAL 120 Ca 0.24 1.28 -0.04 0.00 0.00 0.00 0.00 61.98 63.45 1sto s VAL 120 Cb -0.12 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1sto s VAL 120 CO -0.03 0.30 -0.01 -0.32 0.00 0.00 0.00 175.10 175.04 1sto s MET 121 N -1.47 3.02 0.27 2.72 1.75 0.26 -1.20 119.30 124.64 1sto s MET 121 Ca 0.46 -0.87 -0.16 0.00 -1.25 0.00 0.00 55.69 53.87 1sto s MET 121 Cb -0.34 -3.12 -0.08 0.00 2.84 0.00 0.00 34.83 34.13 1sto s MET 121 CO 0.44 -0.38 0.70 -1.17 -0.65 0.00 0.00 175.02 173.96 1sto s LEU 122 N 1.41 4.19 -0.07 4.11 0.20 -0.70 0.62 118.68 128.43 1sto s LEU 122 Ca 0.02 1.28 -0.05 0.00 0.69 0.00 0.00 54.13 56.07 1sto s LEU 122 Cb -0.16 -3.82 0.03 0.00 -0.43 0.00 0.00 46.19 41.80 1sto s LEU 122 CO -0.02 -0.09 0.18 -0.69 -0.29 0.00 0.00 176.35 175.43 1sto s VAL 123 N -1.78 -0.02 0.00 1.68 1.01 -0.63 -1.49 120.40 119.18 1sto s VAL 123 Ca 0.49 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1sto s VAL 123 Cb -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 35.99 1sto s VAL 123 CO 0.19 0.03 0.00 -0.67 0.00 0.00 0.00 175.10 174.65 1sto n ASP 124 N 3.52 0.00 -0.08 3.32 -0.08 -0.99 -4.20 116.55 118.04 1sto n ASP 124 Ca -0.18 -0.48 -0.15 0.00 -1.51 0.00 0.00 54.79 52.46 1sto n ASP 124 Cb 0.56 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.96 1sto n ASP 124 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1sto n ASP 125 N -0.56 1.49 -3.51 1.67 5.75 -1.26 -4.29 116.55 115.83 1sto n ASP 125 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1sto n ASP 125 Cb 0.00 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 39.65 1sto n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1sto s VAL 126 N -2.28 -0.67 -0.11 2.12 1.01 -1.26 -2.01 120.40 117.20 1sto s VAL 126 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 1sto s VAL 126 Cb 0.07 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1sto s VAL 126 CO 0.28 0.00 0.43 -0.63 0.00 0.00 0.00 175.10 175.18 1sto s ILE 127 N 2.57 5.19 0.01 2.22 1.09 -1.26 -4.88 121.20 126.14 1sto s ILE 127 Ca -0.04 0.86 0.00 0.00 -1.10 0.00 0.00 60.65 60.36 1sto s ILE 127 Cb -0.08 -3.77 0.00 0.00 -1.06 0.00 0.00 42.46 37.55 1sto s ILE 127 CO -0.18 0.38 0.00 0.35 -0.10 0.00 0.00 174.94 175.38 1sto n THR 128 N 3.39 0.12 -2.60 2.92 -2.24 -1.26 -4.83 114.28 109.77 1sto n THR 128 Ca -0.09 0.04 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 1sto n THR 128 Cb 0.52 -1.43 0.01 0.00 -2.10 0.00 0.00 70.33 67.33 1sto n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sto n ALA 129 N -3.01 5.83 -2.67 6.98 0.00 -1.26 -4.80 120.51 121.57 1sto n ALA 129 Ca 0.00 -4.56 -0.03 0.00 0.00 0.00 0.00 53.44 48.85 1sto n ALA 129 Cb 0.41 -1.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 1sto n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sto n GLY 130 N -0.17 -0.01 0.00 0.00 0.00 -1.26 -4.77 105.19 98.97 1sto n GLY 130 Ca 0.44 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1sto n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sto n THR 131 N -1.32 0.00 0.01 2.61 -2.24 -1.26 -4.68 114.28 107.39 1sto n THR 131 Ca -0.03 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.85 1sto n THR 131 Cb 0.06 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.45 1sto n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sto n ALA 132 N -3.00 0.37 -0.27 6.98 0.00 -1.26 0.71 120.51 124.04 1sto n ALA 132 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.66 1sto n ALA 132 Cb 0.00 -0.22 0.23 0.00 0.00 0.00 0.00 19.45 19.46 1sto n ALA 132 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1sto h ILE 133 N 0.00 0.41 0.00 0.00 2.04 -1.95 4.42 117.51 122.44 1sto h ILE 133 Ca 0.18 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1sto h ILE 133 Cb 1.62 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1sto h ILE 133 CO -0.00 0.04 0.00 0.54 0.00 0.00 0.00 178.15 178.73 1sto n ARG 134 N -5.20 0.51 -0.07 2.37 5.12 0.22 0.42 116.66 120.03 1sto n ARG 134 Ca 0.17 0.02 -0.16 0.00 -1.93 0.00 0.00 57.85 55.96 1sto n ARG 134 Cb 0.56 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.31 1sto n ARG 134 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1sto n GLU 135 N -1.05 0.33 -0.22 5.56 2.13 0.59 -4.05 120.64 123.94 1sto n GLU 135 Ca 0.13 0.15 -0.02 0.00 0.66 0.00 0.00 57.16 58.07 1sto n GLU 135 Cb 0.07 -1.06 0.09 0.00 0.27 0.00 0.00 31.44 30.81 1sto n GLU 135 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1sto h SER 136 N -0.57 0.49 0.71 4.31 0.02 0.81 0.10 113.55 119.42 1sto h SER 136 Ca -0.36 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1sto h SER 136 Cb 1.27 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1sto h SER 136 CO -0.22 0.32 -0.12 0.80 -1.14 0.00 0.00 176.83 176.46 1sto n MET 137 N -4.82 0.20 0.25 3.45 0.00 1.42 -2.75 117.12 114.87 1sto n MET 137 Ca 0.08 -0.05 -0.13 0.00 -0.00 0.00 0.00 57.70 57.60 1sto n MET 137 Cb 0.17 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 31.83 1sto n MET 137 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1sto h GLU 138 N 0.12 -0.64 -0.52 2.12 4.39 -0.95 -1.98 114.58 117.12 1sto h GLU 138 Ca 0.00 0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.79 1sto h GLU 138 Cb 0.44 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.17 1sto h GLU 138 CO 0.00 -0.35 -0.36 0.82 -1.16 0.00 0.00 179.01 177.96 1sto h ILE 139 N -1.06 0.00 -0.36 3.13 1.08 -1.29 1.04 117.51 120.06 1sto h ILE 139 Ca -0.07 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.47 1sto h ILE 139 Cb 0.59 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.27 1sto h ILE 139 CO 0.11 0.00 -0.10 0.40 -0.69 0.00 0.00 178.15 177.87 1sto h ILE 140 N -0.07 0.62 0.00 -0.67 5.03 -1.54 0.17 117.51 121.05 1sto h ILE 140 Ca 0.08 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.82 1sto h ILE 140 Cb 0.29 0.62 0.00 0.00 -3.03 0.00 0.00 36.82 34.70 1sto h ILE 140 CO -0.52 0.00 0.00 1.67 -0.68 0.00 0.00 178.15 178.62 1sto n GLN 141 N -5.29 0.15 -0.00 2.37 7.27 -0.75 -2.52 117.38 118.61 1sto n GLN 141 Ca 0.01 0.30 0.14 0.00 0.07 0.00 0.00 57.00 57.53 1sto n GLN 141 Cb 0.21 -1.75 0.61 0.00 2.41 0.00 0.00 30.24 31.72 1sto n GLN 141 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sto n ALA 142 N -1.69 2.60 -0.51 1.69 0.00 0.36 -3.83 120.51 119.12 1sto n ALA 142 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1sto n ALA 142 Cb 0.27 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1sto n ALA 142 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sto n HIS 143 N -0.08 0.00 -2.93 0.00 8.25 -0.92 -4.98 115.22 114.57 1sto n HIS 143 Ca 0.20 -0.23 -0.12 0.00 -0.26 0.00 0.00 57.72 57.31 1sto n HIS 143 Cb 0.30 -0.02 0.06 0.00 1.12 0.00 0.00 29.99 31.45 1sto n HIS 143 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sto n GLY 144 N -0.23 -0.66 3.06 -1.41 0.00 -1.22 -4.89 105.19 99.84 1sto n GLY 144 Ca 0.00 0.35 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 1sto n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sto s ALA 145 N -3.31 0.85 0.85 4.61 0.00 -1.05 -4.35 121.76 119.37 1sto s ALA 145 Ca 0.31 -0.57 -0.09 0.00 0.00 0.00 0.00 51.96 51.61 1sto s ALA 145 Cb -0.04 -0.16 0.16 0.00 0.00 0.00 0.00 23.12 23.09 1sto s ALA 145 CO 0.59 0.17 1.17 0.95 0.00 0.00 0.00 175.76 178.64 1sto s THR 146 N -0.56 2.07 -0.16 0.00 -4.23 0.11 -4.17 115.64 108.69 1sto s THR 146 Ca 0.01 -0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.23 1sto s THR 146 Cb -0.06 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 1sto s THR 146 CO 0.00 0.00 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.83 1sto s LEU 147 N -5.55 3.22 -0.20 4.79 2.96 -1.26 -1.72 118.68 120.92 1sto s LEU 147 Ca 0.70 -0.16 0.11 0.00 -0.22 0.00 0.00 54.13 54.56 1sto s LEU 147 Cb -0.05 -1.78 -0.22 0.00 0.50 0.00 0.00 46.19 44.64 1sto s LEU 147 CO 0.49 0.15 0.06 0.00 -1.32 0.00 0.00 176.35 175.73 1sto n ALA 148 N 3.69 1.44 0.00 5.97 0.00 -0.34 -4.86 120.51 126.40 1sto n ALA 148 Ca -0.17 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1sto n ALA 148 Cb 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1sto n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sto n GLY 149 N 1.91 -1.44 2.76 0.00 0.00 -1.23 -3.74 105.19 103.44 1sto n GLY 149 Ca -0.35 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 1sto n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sto s VAL 150 N -2.68 0.23 -0.19 1.61 1.01 -0.76 -1.73 120.40 117.90 1sto s VAL 150 Ca 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 1sto s VAL 150 Cb 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1sto s VAL 150 CO 0.00 0.22 0.05 -0.22 0.00 0.00 0.00 175.10 175.15 1sto s LEU 151 N 1.86 3.68 0.00 3.92 2.96 -0.56 0.54 118.68 131.08 1sto s LEU 151 Ca 0.02 0.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.00 1sto s LEU 151 Cb -0.12 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1sto s LEU 151 CO -0.04 0.15 0.18 2.30 -1.32 0.00 0.00 176.35 177.61 1sto n ILE 152 N 3.71 0.00 -0.08 6.68 -5.35 -0.99 -2.36 119.36 120.98 1sto n ILE 152 Ca -0.17 -1.91 -0.23 0.00 -0.27 0.00 0.00 62.75 60.17 1sto n ILE 152 Cb 0.52 0.84 -0.12 0.00 -1.74 0.00 0.00 39.64 39.14 1sto n ILE 152 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1sto n SER 153 N -1.81 1.96 -3.60 7.28 7.64 -0.85 -2.01 113.62 122.23 1sto n SER 153 Ca 0.01 0.30 -0.16 0.00 1.01 0.00 0.00 58.87 60.03 1sto n SER 153 Cb 0.48 -0.87 -0.14 0.00 -1.01 0.00 0.00 64.21 62.68 1sto n SER 153 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1sto s LEU 154 N -7.46 -0.17 -0.67 -3.43 0.20 -1.25 -0.64 118.68 105.26 1sto s LEU 154 Ca -0.29 0.22 -0.23 0.00 0.69 0.00 0.00 54.13 54.52 1sto s LEU 154 Cb 0.08 0.47 0.06 0.00 -0.43 0.00 0.00 46.19 46.37 1sto s LEU 154 CO 0.63 -0.27 1.02 -0.62 -0.29 0.00 0.00 176.35 176.82 1sto s ASP 155 N 2.35 6.18 0.32 3.68 -1.08 -1.13 -4.55 116.67 122.44 1sto s ASP 155 Ca 0.04 -0.86 0.25 0.00 -0.52 0.00 0.00 52.55 51.46 1sto s ASP 155 Cb -0.13 -2.45 1.10 0.00 -1.46 0.00 0.00 42.92 39.98 1sto s ASP 155 CO -0.09 -1.51 1.76 0.03 0.52 0.00 0.00 175.17 175.88 1sto h ARG 156 N 9.64 0.00 -6.42 4.34 3.08 -1.91 -1.76 114.38 121.36 1sto h ARG 156 Ca -0.29 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.28 1sto h ARG 156 Cb 1.07 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.06 1sto h ARG 156 CO 1.20 0.00 -0.83 1.04 -1.07 0.00 0.00 179.97 180.31 1sto n GLN 157 N -2.37 -4.21 -4.64 0.04 6.02 -1.26 -4.70 117.38 106.25 1sto n GLN 157 Ca 0.01 0.49 -0.29 0.00 -0.01 0.00 0.00 57.00 57.20 1sto n GLN 157 Cb 0.21 -5.05 -0.08 0.00 1.02 0.00 0.00 30.24 26.34 1sto n GLN 157 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1sto s GLU 158 N -6.54 2.06 0.40 -1.09 -1.05 -1.26 -2.04 118.70 109.17 1sto s GLU 158 Ca 0.35 -2.28 -0.23 0.00 -0.15 0.00 0.00 54.97 52.65 1sto s GLU 158 Cb -0.18 -1.14 -0.10 0.00 -0.44 0.00 0.00 34.13 32.27 1sto s GLU 158 CO 0.87 -0.39 0.99 1.03 0.95 0.00 0.00 175.26 178.70 1sto s ARG 159 N -3.80 4.26 0.00 -4.83 0.52 -0.80 -4.16 118.95 110.14 1sto s ARG 159 Ca 0.15 1.32 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 1sto s ARG 159 Cb 0.03 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 33.05 1sto s ARG 159 CO 0.09 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.80 1sto n GLY 160 N 0.02 0.90 0.18 -3.53 0.00 -0.79 -4.91 105.19 97.05 1sto n GLY 160 Ca 0.05 -0.43 0.10 0.00 0.00 0.00 0.00 46.02 45.74 1sto n GLY 160 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sto h ARG 161 N 0.00 0.00 0.00 1.61 2.47 -1.99 -3.47 114.38 113.00 1sto h ARG 161 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1sto h ARG 161 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1sto h ARG 161 CO 0.00 0.07 0.00 0.41 0.56 0.00 0.00 179.97 181.01 1sto n GLY 162 N 1.15 2.92 0.12 0.04 0.00 -1.26 -5.02 105.19 103.13 1sto n GLY 162 Ca 0.02 -2.02 -0.01 0.00 0.00 0.00 0.00 46.02 44.02 1sto n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sto h GLU 163 N 0.00 0.00 -6.63 1.61 5.08 -1.98 -3.46 114.58 109.19 1sto h GLU 163 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 1sto h GLU 163 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 1sto h GLU 163 CO 0.00 0.67 -0.13 0.96 -1.00 0.00 0.00 179.01 179.51 1sto s ILE 164 N -3.13 4.31 0.63 3.13 -4.36 -1.26 -4.80 121.20 115.71 1sto s ILE 164 Ca 0.01 -0.51 -0.01 0.00 -0.26 0.00 0.00 60.65 59.88 1sto s ILE 164 Cb 0.10 -3.58 0.06 0.00 1.25 0.00 0.00 42.46 40.29 1sto s ILE 164 CO 0.76 -0.39 0.88 -0.94 0.24 0.00 0.00 174.94 175.49 1sto s SER 165 N -4.17 4.95 0.16 4.36 1.04 -1.26 -1.88 113.70 116.91 1sto s SER 165 Ca 0.46 0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.83 1sto s SER 165 Cb -0.10 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.27 1sto s SER 165 CO 0.37 -1.41 1.51 0.00 0.98 0.00 0.00 173.24 174.69 1sto h ALA 166 N -0.23 0.64 0.20 5.32 0.00 -1.87 0.21 119.26 123.52 1sto h ALA 166 Ca -0.42 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 1sto h ALA 166 Cb 1.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1sto h ALA 166 CO 0.52 0.67 -0.10 0.82 0.00 0.00 0.00 179.25 181.17 1sto h ILE 167 N 0.76 0.84 -0.89 0.00 5.03 -1.93 0.83 117.51 122.15 1sto h ILE 167 Ca 0.07 -0.16 0.17 0.00 -0.12 0.00 0.00 64.86 64.82 1sto h ILE 167 Cb 0.92 0.94 -0.10 0.00 -3.03 0.00 0.00 36.82 35.55 1sto h ILE 167 CO 0.09 0.04 0.47 1.56 -0.68 0.00 0.00 178.15 179.62 1sto h GLN 168 N -0.35 0.60 -0.53 2.37 4.20 -1.85 0.93 115.11 120.49 1sto h GLN 168 Ca -0.03 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1sto h GLN 168 Cb 0.27 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1sto h GLN 168 CO 0.04 0.40 -0.03 0.93 -0.67 0.00 0.00 178.83 179.50 1sto h GLU 169 N 0.62 0.95 0.19 1.46 5.08 -0.47 0.33 114.58 122.75 1sto h GLU 169 Ca 0.51 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1sto h GLU 169 Cb 0.78 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1sto h GLU 169 CO -0.39 0.98 -0.22 0.28 -1.00 0.00 0.00 179.01 178.66 1sto h VAL 170 N 0.82 0.52 -0.91 3.13 2.07 0.33 -0.54 116.25 121.67 1sto h VAL 170 Ca 0.15 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.78 1sto h VAL 170 Cb 0.57 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 1sto h VAL 170 CO 0.03 0.00 0.54 -0.33 0.02 0.00 0.00 177.57 177.83 1sto h GLU 171 N -0.46 0.84 0.00 1.57 5.08 -0.57 -0.79 114.58 120.24 1sto h GLU 171 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1sto h GLU 171 Cb 0.44 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1sto h GLU 171 CO -0.07 0.55 0.00 -2.13 -1.00 0.00 0.00 179.01 176.36 1sto n ARG 172 N -4.70 0.17 0.00 2.33 0.00 0.12 -3.23 116.66 111.34 1sto n ARG 172 Ca 0.17 0.14 0.00 0.00 -0.00 0.00 0.00 57.85 58.16 1sto n ARG 172 Cb 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.30 1sto n ARG 172 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1sto n ASP 173 N -1.36 3.66 -0.59 6.15 9.92 -0.26 -4.80 116.55 129.27 1sto n ASP 173 Ca 0.07 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.39 1sto n ASP 173 Cb 0.16 0.45 0.16 0.00 -0.64 0.00 0.00 41.12 41.26 1sto n ASP 173 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1sto n TYR 174 N -1.49 0.51 -3.71 1.24 4.01 -0.82 -4.96 117.16 111.95 1sto n TYR 174 Ca 0.00 -0.66 -0.27 0.00 -0.16 0.00 0.00 57.90 56.81 1sto n TYR 174 Cb 0.28 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 1sto n TYR 174 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sto n GLY 175 N -0.10 -0.46 3.69 2.72 0.00 -1.20 -4.90 105.19 104.95 1sto n GLY 175 Ca 0.13 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1sto n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sto s LYS 177 N -3.83 3.00 -0.21 0.00 2.47 -1.24 -4.43 119.74 115.50 1sto s LYS 177 Ca 0.34 -0.85 -0.20 0.00 -1.56 0.00 0.00 55.97 53.71 1sto s LYS 177 Cb 0.06 -2.44 -0.02 0.00 -1.46 0.00 0.00 37.83 33.96 1sto s LYS 177 CO 0.18 -0.04 0.61 0.08 0.16 0.00 0.00 175.35 176.34 1sto s VAL 178 N 0.88 5.03 0.55 4.02 1.01 -1.26 -1.83 120.40 128.80 1sto s VAL 178 Ca -0.05 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.11 1sto s VAL 178 Cb -0.15 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.36 1sto s VAL 178 CO -0.03 0.10 0.76 -0.63 0.00 0.00 0.00 175.10 175.29 1sto s ILE 179 N 1.99 2.55 0.00 2.22 1.09 0.19 -4.92 121.20 124.32 1sto s ILE 179 Ca 0.27 -0.83 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 1sto s ILE 179 Cb -0.16 -2.71 0.00 0.00 -1.06 0.00 0.00 42.46 38.53 1sto s ILE 179 CO 0.10 0.00 0.00 -1.54 -0.10 0.00 0.00 174.94 173.40 1sto n SER 180 N -2.26 0.00 -0.02 3.58 3.41 -1.26 -2.34 113.62 114.73 1sto n SER 180 Ca 0.11 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1sto n SER 180 Cb 0.60 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1sto n SER 180 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1sto h ILE 181 N 0.20 0.00 -1.83 -1.33 2.04 -1.32 -3.46 117.51 111.80 1sto h ILE 181 Ca 0.00 -0.60 -0.49 0.00 1.00 0.00 0.00 64.86 64.77 1sto h ILE 181 Cb 0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1sto h ILE 181 CO 0.00 0.00 -0.44 0.27 0.00 0.00 0.00 178.15 177.98 1sto s ILE 182 N -1.45 3.55 0.23 -0.67 -4.36 0.19 -4.84 121.20 113.85 1sto s ILE 182 Ca -0.00 -1.33 0.02 0.00 -0.26 0.00 0.00 60.65 59.07 1sto s ILE 182 Cb 0.00 -3.20 -0.05 0.00 1.25 0.00 0.00 42.46 40.46 1sto s ILE 182 CO 0.01 -0.17 0.05 0.42 0.24 0.00 0.00 174.94 175.49 1sto s THR 183 N -2.30 0.70 0.26 8.37 -4.23 -1.26 -2.82 115.64 114.36 1sto s THR 183 Ca 0.42 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.90 1sto s THR 183 Cb -0.06 -2.42 0.25 0.00 1.34 0.00 0.00 72.50 71.61 1sto s THR 183 CO 0.27 -0.21 1.69 0.25 -0.54 0.00 0.00 174.62 176.07 1sto h LEU 184 N 2.49 0.09 -0.35 4.79 6.46 -1.60 -1.17 115.31 126.03 1sto h LEU 184 Ca -0.38 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1sto h LEU 184 Cb 1.23 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.32 1sto h LEU 184 CO 0.62 -0.03 0.21 0.50 -0.62 0.00 0.00 178.44 179.13 1sto h LYS 185 N 0.31 0.43 0.00 1.25 3.64 -1.95 0.52 116.57 120.76 1sto h LYS 185 Ca 0.46 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.76 1sto h LYS 185 Cb 0.82 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1sto h LYS 185 CO -0.52 0.28 -0.25 -0.44 -2.27 0.00 0.00 179.45 176.25 1sto h ASP 186 N 0.44 0.00 -0.44 4.20 3.32 -1.79 0.29 116.42 122.44 1sto h ASP 186 Ca 0.13 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1sto h ASP 186 Cb -0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1sto h ASP 186 CO -0.05 0.25 -0.13 0.25 -1.72 0.00 0.00 179.24 177.85 1sto h LEU 187 N 0.00 0.87 0.46 1.55 5.85 0.11 -1.16 115.31 122.98 1sto h LEU 187 Ca -0.00 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1sto h LEU 187 Cb 0.49 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1sto h LEU 187 CO 0.03 1.04 -0.22 0.40 -0.34 0.00 0.00 178.44 179.35 1sto h ILE 188 N 0.69 0.20 -1.26 4.05 2.04 -0.03 -2.56 117.51 120.63 1sto h ILE 188 Ca 0.11 -0.57 0.41 0.00 1.00 0.00 0.00 64.86 65.82 1sto h ILE 188 Cb 0.67 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 36.95 1sto h ILE 188 CO 0.05 0.04 0.84 0.00 0.00 0.00 0.00 178.15 179.08 1sto n ALA 189 N -2.67 1.23 0.09 1.87 0.00 0.04 0.13 120.51 121.20 1sto n ALA 189 Ca -0.09 0.67 -0.22 0.00 0.00 0.00 0.00 53.44 53.80 1sto n ALA 189 Cb 0.28 -0.89 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 1sto n ALA 189 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1sto h TYR 190 N 0.00 1.02 0.00 0.00 3.20 -0.99 -2.98 116.97 117.23 1sto h TYR 190 Ca 0.74 -0.65 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1sto h TYR 190 Cb 2.53 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 40.71 1sto h TYR 190 CO -0.00 1.48 -0.17 -0.07 -1.64 0.00 0.00 178.16 177.76 1sto h LEU 191 N 0.28 0.00 -1.42 2.82 3.38 0.14 -2.89 115.31 117.62 1sto h LEU 191 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1sto h LEU 191 Cb 1.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1sto h LEU 191 CO 0.24 0.17 0.00 -0.33 0.09 0.00 0.00 178.44 178.61 1sto h GLU 192 N 0.00 0.00 0.00 1.13 5.08 -0.89 -2.05 114.58 117.84 1sto h GLU 192 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1sto h GLU 192 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1sto h GLU 192 CO 0.02 0.00 -1.25 0.39 -1.00 0.00 0.00 179.01 177.17 1sto n GLU 193 N -2.76 0.61 -3.19 2.33 1.02 -1.09 -4.66 120.64 112.90 1sto n GLU 193 Ca 0.00 0.16 -0.46 0.00 -0.02 0.00 0.00 57.16 56.85 1sto n GLU 193 Cb 0.23 -1.81 -0.02 0.00 -0.02 0.00 0.00 31.44 29.82 1sto n GLU 193 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1sto s LYS 194 N -3.14 3.55 0.56 3.49 -0.14 -0.77 -4.90 119.74 118.39 1sto s LYS 194 Ca -0.02 -2.15 0.25 0.00 -1.36 0.00 0.00 55.97 52.69 1sto s LYS 194 Cb 0.09 -4.57 1.52 0.00 -1.68 0.00 0.00 37.83 33.20 1sto s LYS 194 CO 0.80 -1.46 2.11 -1.00 -0.76 0.00 0.00 175.35 175.04 1sto h PRO 195 N 8.24 0.00 -0.61 -1.68 0.13 -1.83 -0.30 132.00 135.95 1sto h PRO 195 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1sto h PRO 195 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1sto h PRO 195 CO 0.89 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.26 1sto n ASP 196 N -4.12 3.65 -1.15 1.44 5.75 -1.26 -2.96 116.55 117.89 1sto n ASP 196 Ca 0.02 -2.29 0.11 0.00 -0.01 0.00 0.00 54.79 52.62 1sto n ASP 196 Cb 0.30 -0.48 0.27 0.00 -1.03 0.00 0.00 41.12 40.18 1sto n ASP 196 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1sto n MET 197 N 0.87 2.47 -0.33 0.11 2.81 -0.12 -4.69 117.12 118.24 1sto n MET 197 Ca 0.20 -2.26 0.22 0.00 -1.81 0.00 0.00 57.70 54.05 1sto n MET 197 Cb 0.67 -1.51 0.45 0.00 -0.71 0.00 0.00 33.22 32.13 1sto n MET 197 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sto h ALA 198 N 4.31 1.84 -0.07 3.04 0.00 -1.65 0.37 119.26 127.10 1sto h ALA 198 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1sto h ALA 198 Cb 0.89 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1sto h ALA 198 CO 0.00 -0.58 -0.45 1.49 0.00 0.00 0.00 179.25 179.70 1sto h GLU 199 N 0.27 0.15 0.08 0.00 4.81 -1.89 0.23 114.58 118.25 1sto h GLU 199 Ca 0.71 -0.08 -0.26 0.00 -0.13 0.00 0.00 59.36 59.60 1sto h GLU 199 Cb 1.61 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.98 1sto h GLU 199 CO -0.63 0.58 -1.24 0.45 -0.73 0.00 0.00 179.01 177.44 1sto h HIS 200 N 0.13 0.32 0.53 0.92 3.86 -0.81 -3.24 115.15 116.85 1sto h HIS 200 Ca 0.01 -0.23 -0.02 0.00 -1.16 0.00 0.00 60.37 58.96 1sto h HIS 200 Cb 0.86 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1sto h HIS 200 CO 0.01 1.20 -0.29 1.25 0.86 0.00 0.00 177.93 180.96 1sto h LEU 201 N 0.05 -0.72 -1.97 2.43 6.46 -0.11 0.14 115.31 121.58 1sto h LEU 201 Ca -0.12 0.03 0.20 0.00 -0.12 0.00 0.00 57.88 57.88 1sto h LEU 201 Cb 1.92 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 42.03 1sto h LEU 201 CO 0.17 -0.47 0.56 0.00 -0.62 0.00 0.00 178.44 178.08 1sto h ALA 202 N -1.53 2.59 0.15 1.25 0.00 -0.69 1.55 119.26 122.57 1sto h ALA 202 Ca -0.07 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 1sto h ALA 202 Cb 0.60 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.46 1sto h ALA 202 CO 0.09 -0.93 -1.00 0.00 0.00 0.00 0.00 179.25 177.42 1sto h ALA 203 N 1.54 -0.06 0.00 0.00 0.00 -1.55 -0.67 119.26 118.52 1sto h ALA 203 Ca 0.33 -0.78 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1sto h ALA 203 Cb 1.46 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1sto h ALA 203 CO -0.00 0.49 -0.50 -0.39 0.00 0.00 0.00 179.25 178.85 1sto h VAL 204 N -0.30 0.82 0.19 0.00 -1.51 0.96 -1.86 116.25 114.55 1sto h VAL 204 Ca -0.18 -2.16 -0.01 0.00 -1.23 0.00 0.00 66.70 63.11 1sto h VAL 204 Cb 1.73 2.40 0.00 0.00 -2.13 0.00 0.00 31.29 33.29 1sto h VAL 204 CO 0.15 0.47 -0.09 -0.09 -1.23 0.00 0.00 177.57 176.78 1sto h ARG 205 N 0.00 -0.25 -0.35 5.19 2.43 0.21 -1.40 114.38 120.21 1sto h ARG 205 Ca -0.01 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1sto h ARG 205 Cb 1.37 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.89 1sto h ARG 205 CO 0.06 -0.00 -0.37 0.00 -1.51 0.00 0.00 179.97 178.15 1sto h ALA 206 N 0.30 -0.33 -0.19 2.80 0.00 -1.08 -2.79 119.26 117.97 1sto h ALA 206 Ca -0.03 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1sto h ALA 206 Cb 0.36 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1sto h ALA 206 CO 0.04 -0.80 -0.50 -0.92 0.00 0.00 0.00 179.25 177.07 1sto h TYR 207 N -0.32 -1.50 -1.02 0.00 3.20 -1.21 -1.64 116.97 114.48 1sto h TYR 207 Ca 0.14 0.06 0.25 0.00 3.14 0.00 0.00 58.73 62.33 1sto h TYR 207 Cb 0.57 0.68 -0.11 0.00 1.54 0.00 0.00 36.73 39.40 1sto h TYR 207 CO -0.55 -0.49 0.63 -0.09 -1.64 0.00 0.00 178.16 176.02 1sto h ARG 208 N -0.49 0.51 0.20 1.82 2.43 -1.14 -1.86 114.38 115.85 1sto h ARG 208 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1sto h ARG 208 Cb 0.60 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1sto h ARG 208 CO -0.44 0.34 -0.44 1.49 -1.51 0.00 0.00 179.97 179.41 1sto h GLU 209 N 0.52 -0.68 -0.98 0.20 4.81 -1.02 4.41 114.58 121.85 1sto h GLU 209 Ca 0.62 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 60.03 1sto h GLU 209 Cb 1.31 0.15 -0.09 0.00 0.63 0.00 0.00 28.75 30.76 1sto h GLU 209 CO -0.40 -0.45 0.60 0.93 -0.73 0.00 0.00 179.01 178.96 1sto h GLU 210 N -0.70 0.90 0.00 1.92 5.08 -1.32 -3.35 114.58 117.11 1sto h GLU 210 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1sto h GLU 210 Cb 0.67 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1sto h GLU 210 CO -0.19 0.60 -0.84 1.19 -1.00 0.00 0.00 179.01 178.77 1sto n PHE 211 N -4.66 0.00 -1.66 4.33 3.72 -0.73 -5.02 117.46 113.43 1sto n PHE 211 Ca 0.19 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.15 1sto n PHE 211 Cb 0.38 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.90 1sto n PHE 211 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sto n GLY 212 N 2.11 0.45 0.84 1.37 0.00 1.45 -1.90 105.19 109.50 1sto n GLY 212 Ca 0.00 0.40 0.12 0.00 0.00 0.00 0.00 46.02 46.55 1sto n GLY 212 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70