#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqs s LYS 3 N 0.00 3.26 -0.10 3.52 1.02 -1.26 -0.59 119.74 125.59 1sqs s LYS 3 Ca 0.00 -0.70 0.04 0.00 0.02 0.00 0.00 55.97 55.32 1sqs s LYS 3 Cb 0.00 -2.57 -0.00 0.00 -0.52 0.00 0.00 37.83 34.73 1sqs s LYS 3 CO 0.00 0.26 -0.22 0.42 -0.92 0.00 0.00 175.35 174.88 1sqs s ILE 4 N 0.23 2.24 -0.17 2.17 1.01 0.26 -0.92 121.20 126.02 1sqs s ILE 4 Ca -0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.55 1sqs s ILE 4 Cb -0.16 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1sqs s ILE 4 CO 0.05 0.56 -0.02 0.12 0.00 0.00 0.00 174.94 175.65 1sqs s PHE 5 N 0.24 3.04 -0.09 3.97 5.36 0.16 -1.11 117.98 129.55 1sqs s PHE 5 Ca -0.15 -0.33 0.03 0.00 -0.96 0.00 0.00 56.93 55.52 1sqs s PHE 5 Cb -0.17 -1.99 0.01 0.00 -0.34 0.00 0.00 43.02 40.52 1sqs s PHE 5 CO 0.07 -0.08 -0.18 0.42 -1.46 0.00 0.00 175.22 173.99 1sqs s ILE 6 N 0.53 1.60 -0.09 3.12 1.01 0.24 0.16 121.20 127.78 1sqs s ILE 6 Ca -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1sqs s ILE 6 Cb -0.14 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.93 1sqs s ILE 6 CO 0.02 0.46 -0.09 -0.47 0.00 0.00 0.00 174.94 174.87 1sqs s TYR 7 N 0.55 1.36 -0.25 3.97 6.14 -0.22 -0.17 117.35 128.74 1sqs s TYR 7 Ca -0.16 -0.58 -0.03 0.00 0.64 0.00 0.00 57.07 56.94 1sqs s TYR 7 Cb -0.17 -1.09 0.02 0.00 0.42 0.00 0.00 41.96 41.13 1sqs s TYR 7 CO 0.06 -0.38 -0.04 0.00 0.64 0.00 0.00 175.55 175.83 1sqs s ALA 8 N 1.24 2.78 -1.41 3.97 0.00 -0.75 -1.16 121.76 126.42 1sqs s ALA 8 Ca -0.04 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.39 1sqs s ALA 8 Cb -0.14 -1.76 0.06 0.00 0.00 0.00 0.00 23.12 21.28 1sqs s ALA 8 CO -0.03 -0.73 2.11 0.41 0.00 0.00 0.00 175.76 177.52 1sqs n GLY 9 N 4.73 4.17 3.31 0.00 0.00 -0.36 -4.24 105.19 112.81 1sqs n GLY 9 Ca -0.17 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 1sqs n GLY 9 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sqs s VAL 10 N 3.03 2.02 0.00 1.61 -7.23 -1.26 -4.32 120.40 114.24 1sqs s VAL 10 Ca 0.47 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1sqs s VAL 10 Cb 0.12 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.36 1sqs s VAL 10 CO -0.05 0.46 0.00 -1.14 -0.31 0.00 0.00 175.10 174.05 1sqs n ARG 11 N 2.14 3.12 -2.95 4.82 3.00 -1.26 -4.05 116.66 121.47 1sqs n ARG 11 Ca -0.16 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.27 1sqs n ARG 11 Cb 0.52 -0.64 -0.05 0.00 0.00 0.00 0.00 32.46 32.29 1sqs n ARG 11 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1sqs s ASN 12 N -1.10 6.61 0.29 6.15 2.47 -1.26 -4.92 114.94 123.18 1sqs s ASN 12 Ca 0.00 0.52 0.23 0.00 0.42 0.00 0.00 52.86 54.03 1sqs s ASN 12 Cb 0.00 -2.40 1.08 0.00 -1.45 0.00 0.00 41.25 38.48 1sqs s ASN 12 CO 0.00 -0.66 1.70 0.00 -3.72 0.00 0.00 177.10 174.42 1sqs n HIS 13 N 6.29 0.80 -0.68 0.43 1.44 -1.26 -0.67 115.22 121.57 1sqs n HIS 13 Ca 0.03 0.36 0.09 0.00 -2.01 0.00 0.00 57.72 56.19 1sqs n HIS 13 Cb 0.48 -1.08 0.37 0.00 0.12 0.00 0.00 29.99 29.89 1sqs n HIS 13 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1sqs n ASN 14 N -2.27 5.03 -4.63 4.39 5.15 -1.26 -5.01 115.26 116.66 1sqs n ASN 14 Ca 0.00 -2.55 -0.54 0.00 -0.60 0.00 0.00 54.58 50.89 1sqs n ASN 14 Cb 0.14 -0.61 -0.07 0.00 -0.53 0.00 0.00 39.78 38.72 1sqs n ASN 14 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1sqs n SER 15 N 1.05 1.87 0.08 1.20 2.88 0.15 -4.89 113.62 115.98 1sqs n SER 15 Ca 0.27 1.10 -0.07 0.00 -1.33 0.00 0.00 58.87 58.84 1sqs n SER 15 Cb 0.97 -1.16 0.04 0.00 -0.75 0.00 0.00 64.21 63.30 1sqs n SER 15 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1sqs h LYS 16 N 5.51 0.21 -0.81 -1.46 1.57 -1.95 -2.54 116.57 117.12 1sqs h LYS 16 Ca -0.47 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.12 1sqs h LYS 16 Cb 1.33 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.65 1sqs h LYS 16 CO 0.84 0.89 0.53 1.15 -0.57 0.00 0.00 179.45 182.30 1sqs h THR 17 N 0.13 1.20 -0.60 -0.16 2.02 -1.92 -0.38 112.91 113.20 1sqs h THR 17 Ca -0.03 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1sqs h THR 17 Cb 1.37 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1sqs h THR 17 CO 0.12 0.20 0.18 0.25 0.37 0.00 0.00 175.52 176.64 1sqs h LEU 18 N 1.08 0.88 -0.20 2.58 5.85 -1.90 -0.08 115.31 123.53 1sqs h LEU 18 Ca 0.30 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1sqs h LEU 18 Cb -0.11 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 1sqs h LEU 18 CO -0.07 0.86 0.13 -0.08 -0.34 0.00 0.00 178.44 178.95 1sqs h GLU 19 N 0.86 0.27 -0.33 1.25 4.81 -0.95 -0.06 114.58 120.43 1sqs h GLU 19 Ca 0.19 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1sqs h GLU 19 Cb 0.30 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1sqs h GLU 19 CO -0.00 0.19 -0.13 1.88 -0.73 0.00 0.00 179.01 180.21 1sqs h TYR 20 N 0.27 0.63 -0.46 0.92 0.05 -0.87 -0.76 116.97 116.74 1sqs h TYR 20 Ca 0.07 -0.11 -0.14 0.00 0.05 0.00 0.00 58.73 58.61 1sqs h TYR 20 Cb -0.02 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 1sqs h TYR 20 CO -0.06 0.69 -0.24 1.15 -1.05 0.00 0.00 178.16 178.65 1sqs h THR 21 N 0.53 1.27 -0.34 -2.88 2.02 -0.62 -0.77 112.91 112.12 1sqs h THR 21 Ca 0.09 -1.41 -0.10 0.00 0.77 0.00 0.00 66.41 65.76 1sqs h THR 21 Cb 0.54 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1sqs h THR 21 CO 0.03 0.48 -0.21 0.11 0.37 0.00 0.00 175.52 176.31 1sqs h LYS 22 N 0.83 0.65 -0.40 6.66 1.57 -0.82 -1.40 116.57 123.66 1sqs h LYS 22 Ca 0.10 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1sqs h LYS 22 Cb 0.83 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1sqs h LYS 22 CO 0.07 0.81 0.16 -0.09 -0.57 0.00 0.00 179.45 179.84 1sqs h ARG 23 N 0.57 0.60 -0.56 3.15 9.65 -0.84 -0.22 114.38 126.73 1sqs h ARG 23 Ca 0.09 -0.11 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1sqs h ARG 23 Cb 0.68 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.13 1sqs h ARG 23 CO 0.05 0.56 0.34 1.25 2.80 0.00 0.00 179.97 184.97 1sqs h LEU 24 N 0.51 0.67 -0.55 3.80 5.85 -0.90 -0.94 115.31 123.74 1sqs h LEU 24 Ca 0.13 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1sqs h LEU 24 Cb 0.19 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1sqs h LEU 24 CO -0.01 0.53 0.33 -1.28 -0.34 0.00 0.00 178.44 177.67 1sqs h SER 25 N 0.75 0.67 -0.71 1.25 0.87 -0.97 -1.62 113.55 113.78 1sqs h SER 25 Ca 0.20 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1sqs h SER 25 Cb -0.02 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 1sqs h SER 25 CO -0.04 0.54 0.36 0.28 -0.53 0.00 0.00 176.83 177.44 1sqs h SER 26 N 0.74 0.92 -0.09 6.23 0.02 -0.65 -1.06 113.55 119.66 1sqs h SER 26 Ca 0.20 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1sqs h SER 26 Cb -0.00 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 1sqs h SER 26 CO -0.04 0.78 0.04 0.40 -1.14 0.00 0.00 176.83 176.87 1sqs h ILE 27 N 0.99 1.12 -0.06 3.27 2.04 -0.90 -1.63 117.51 122.34 1sqs h ILE 27 Ca 0.25 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1sqs h ILE 27 Cb 0.09 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1sqs h ILE 27 CO -0.03 0.10 -0.00 0.40 0.00 0.00 0.00 178.15 178.62 1sqs h ILE 28 N 0.01 0.96 0.00 -0.67 2.04 -1.08 -2.44 117.51 116.33 1sqs h ILE 28 Ca 0.03 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 1sqs h ILE 28 Cb 0.12 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1sqs h ILE 28 CO -0.00 0.00 -0.32 0.77 0.00 0.00 0.00 178.15 178.60 1sqs h SER 29 N 0.02 0.00 0.28 1.72 4.64 -1.16 0.07 113.55 119.12 1sqs h SER 29 Ca 0.03 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.16 1sqs h SER 29 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1sqs h SER 29 CO -0.05 0.32 -0.76 0.77 -0.87 0.00 0.00 176.83 176.24 1sqs h SER 30 N 0.00 0.48 0.80 4.97 4.64 -1.09 -3.30 113.55 120.05 1sqs h SER 30 Ca -0.00 -0.32 -0.09 0.00 -0.47 0.00 0.00 61.79 60.90 1sqs h SER 30 Cb 0.60 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1sqs h SER 30 CO 0.04 1.07 -1.26 0.54 -0.87 0.00 0.00 176.83 176.35 1sqs n ARG 31 N -3.82 0.62 -4.15 4.77 1.74 -0.94 -4.98 116.66 109.90 1sqs n ARG 31 Ca -0.05 0.16 -0.12 0.00 -0.77 0.00 0.00 57.85 57.07 1sqs n ARG 31 Cb 0.73 -1.80 -0.11 0.00 -1.02 0.00 0.00 32.46 30.26 1sqs n ARG 31 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1sqs s ASN 32 N -5.54 1.19 -0.55 0.55 0.01 -0.01 -5.10 114.94 105.50 1sqs s ASN 32 Ca -0.02 -0.83 -0.20 0.00 -0.71 0.00 0.00 52.86 51.10 1sqs s ASN 32 Cb 0.09 0.05 0.07 0.00 0.41 0.00 0.00 41.25 41.87 1sqs s ASN 32 CO 0.81 -0.33 0.71 0.21 -1.51 0.00 0.00 177.10 176.98 1sqs s ASN 33 N -2.50 6.22 0.09 -1.22 2.47 -1.26 -4.45 114.94 114.29 1sqs s ASN 33 Ca 0.05 -1.01 -0.08 0.00 0.42 0.00 0.00 52.86 52.24 1sqs s ASN 33 Cb -0.01 -2.32 -0.01 0.00 -1.45 0.00 0.00 41.25 37.46 1sqs s ASN 33 CO -0.02 -1.03 0.17 0.68 -3.72 0.00 0.00 177.10 173.18 1sqs s VAL 34 N 2.89 0.15 -0.37 -5.21 -7.23 -1.26 -4.66 120.40 104.70 1sqs s VAL 34 Ca 0.16 -1.26 -0.13 0.00 -1.81 0.00 0.00 61.98 58.94 1sqs s VAL 34 Cb -0.20 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.38 1sqs s VAL 34 CO 0.11 -0.68 0.25 -1.81 -0.31 0.00 0.00 175.10 172.65 1sqs s ASP 35 N -2.87 5.94 -0.15 4.85 1.11 0.24 -5.00 116.67 120.80 1sqs s ASP 35 Ca 0.06 -0.76 -0.04 0.00 0.18 0.00 0.00 52.55 51.99 1sqs s ASP 35 Cb 0.05 -2.10 -0.03 0.00 1.07 0.00 0.00 42.92 41.91 1sqs s ASP 35 CO -0.11 -0.35 -0.01 -0.63 1.18 0.00 0.00 175.17 175.26 1sqs s ILE 36 N 1.65 4.18 -0.32 0.77 1.01 -1.26 -0.57 121.20 126.66 1sqs s ILE 36 Ca 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 1sqs s ILE 36 Cb -0.18 -2.83 0.05 0.00 0.01 0.00 0.00 42.46 39.51 1sqs s ILE 36 CO 0.09 0.51 0.05 -0.55 0.00 0.00 0.00 174.94 175.04 1sqs s SER 37 N 0.11 5.05 -0.37 3.58 0.15 -0.27 -4.98 113.70 116.97 1sqs s SER 37 Ca 0.01 -1.31 -0.11 0.00 0.70 0.00 0.00 55.95 55.23 1sqs s SER 37 Cb -0.13 -1.77 0.02 0.00 -1.71 0.00 0.00 66.02 62.43 1sqs s SER 37 CO 0.02 -0.31 0.21 0.12 1.20 0.00 0.00 173.24 174.49 1sqs s PHE 38 N 1.28 3.24 0.05 3.44 2.19 -1.26 -0.59 117.98 126.33 1sqs s PHE 38 Ca -0.03 -0.84 0.07 0.00 0.33 0.00 0.00 56.93 56.46 1sqs s PHE 38 Cb -0.20 -2.45 -0.03 0.00 -1.31 0.00 0.00 43.02 39.02 1sqs s PHE 38 CO -0.00 -0.61 -0.17 1.03 1.83 0.00 0.00 175.22 177.30 1sqs s ARG 39 N 1.58 2.08 0.27 10.12 1.81 0.76 -5.00 118.95 130.58 1sqs s ARG 39 Ca 0.03 -0.98 -0.14 0.00 -1.72 0.00 0.00 55.73 52.92 1sqs s ARG 39 Cb -0.19 -2.21 0.00 0.00 -0.45 0.00 0.00 34.95 32.11 1sqs s ARG 39 CO 0.07 0.54 0.55 0.95 -0.68 0.00 0.00 175.30 176.73 1sqs s THR 40 N -0.97 0.00 -1.22 0.02 -4.23 -1.26 -1.81 115.64 106.18 1sqs s THR 40 Ca 0.15 -1.31 0.10 0.00 -1.18 0.00 0.00 61.69 59.45 1sqs s THR 40 Cb -0.11 -2.23 0.13 0.00 1.34 0.00 0.00 72.50 71.62 1sqs s THR 40 CO 0.06 0.00 1.25 -2.65 -0.54 0.00 0.00 174.62 172.74 1sqs n PRO 41 N -0.42 0.07 0.08 3.99 -0.02 -1.26 -1.11 135.00 136.33 1sqs n PRO 41 Ca -0.02 0.26 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1sqs n PRO 41 Cb 0.61 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.56 1sqs n PRO 41 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1sqs h PHE 42 N 0.00 0.00 0.00 6.00 0.04 -1.94 -3.38 116.94 117.66 1sqs h PHE 42 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1sqs h PHE 42 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1sqs h PHE 42 CO 0.00 0.44 0.00 0.27 -0.60 0.00 0.00 178.31 178.42 1sqs n ASN 43 N -2.95 1.54 -3.84 2.17 2.04 -0.82 -5.04 115.26 108.36 1sqs n ASN 43 Ca -0.04 -1.69 -0.12 0.00 -0.44 0.00 0.00 54.58 52.29 1sqs n ASN 43 Cb 0.75 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.90 1sqs n ASN 43 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1sqs s SER 44 N -0.69 -0.03 -0.22 0.53 0.01 -0.27 -4.86 113.70 108.18 1sqs s SER 44 Ca 0.00 -0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.12 1sqs s SER 44 Cb 0.00 0.23 0.02 0.00 0.21 0.00 0.00 66.02 66.48 1sqs s SER 44 CO 0.00 -0.38 -0.11 -1.61 0.41 0.00 0.00 173.24 171.55 1sqs s GLU 45 N -1.34 3.00 -0.31 12.44 0.41 -1.26 -4.37 118.70 127.26 1sqs s GLU 45 Ca -0.14 -0.86 0.01 0.00 -0.41 0.00 0.00 54.97 53.57 1sqs s GLU 45 Cb -0.07 -2.84 0.09 0.00 -1.78 0.00 0.00 34.13 29.54 1sqs s GLU 45 CO 0.02 -0.29 0.05 -0.51 -0.49 0.00 0.00 175.26 174.05 1sqs s LEU 46 N 1.34 3.18 0.74 1.80 1.43 -1.26 -1.15 118.68 124.76 1sqs s LEU 46 Ca 0.03 -1.73 -0.15 0.00 -1.03 0.00 0.00 54.13 51.25 1sqs s LEU 46 Cb -0.15 -1.19 0.04 0.00 0.03 0.00 0.00 46.19 44.93 1sqs s LEU 46 CO -0.07 -0.37 1.24 -1.61 0.23 0.00 0.00 176.35 175.77 1sqs s GLU 47 N 1.33 2.05 0.19 1.70 0.41 -1.26 -4.87 118.70 118.24 1sqs s GLU 47 Ca 0.07 1.87 -0.32 0.00 -0.41 0.00 0.00 54.97 56.19 1sqs s GLU 47 Cb -0.18 -1.81 -0.11 0.00 -1.78 0.00 0.00 34.13 30.25 1sqs s GLU 47 CO -0.15 -1.93 1.67 0.42 -0.49 0.00 0.00 175.26 174.77 1sqs s ILE 48 N -1.85 2.28 0.19 -1.63 1.01 -1.26 -4.89 121.20 115.06 1sqs s ILE 48 Ca 0.77 0.19 -0.33 0.00 0.00 0.00 0.00 60.65 61.27 1sqs s ILE 48 Cb -0.32 -3.12 -0.14 0.00 0.01 0.00 0.00 42.46 38.89 1sqs s ILE 48 CO 0.46 0.01 1.41 -0.24 0.00 0.00 0.00 174.94 176.58 1sqs n SER 49 N 4.08 2.49 -0.36 3.58 2.88 -1.26 -4.89 113.62 120.14 1sqs n SER 49 Ca 0.15 1.12 0.02 0.00 -1.33 0.00 0.00 58.87 58.84 1sqs n SER 49 Cb 0.37 -1.36 0.03 0.00 -0.75 0.00 0.00 64.21 62.50 1sqs n SER 49 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1sqs n ASN 50 N 2.55 0.60 -4.71 -3.46 0.23 -1.26 -5.08 115.26 104.14 1sqs n ASN 50 Ca 0.15 -2.20 -0.31 0.00 -0.53 0.00 0.00 54.58 51.68 1sqs n ASN 50 Cb 0.28 -0.24 0.14 0.00 -2.08 0.00 0.00 39.78 37.87 1sqs n ASN 50 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1sqs s SER 51 N -1.39 3.57 -0.13 0.53 1.04 -1.26 -5.05 113.70 111.01 1sqs s SER 51 Ca 0.08 1.98 0.00 0.00 0.48 0.00 0.00 55.95 58.48 1sqs s SER 51 Cb 0.07 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.65 1sqs s SER 51 CO 0.01 -2.66 -0.14 -0.62 0.98 0.00 0.00 173.24 170.81 1sqs s ASP 52 N -3.02 3.96 0.25 7.02 -1.08 -1.26 -5.03 116.67 117.52 1sqs s ASP 52 Ca 0.64 -0.34 -0.03 0.00 -0.52 0.00 0.00 52.55 52.30 1sqs s ASP 52 Cb -0.20 -1.60 0.50 0.00 -1.46 0.00 0.00 42.92 40.16 1sqs s ASP 52 CO 0.57 0.16 1.72 0.77 0.52 0.00 0.00 175.17 178.91 1sqs h SER 53 N 6.73 0.24 0.12 -0.34 4.64 -1.98 -0.54 113.55 122.42 1sqs h SER 53 Ca -0.26 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1sqs h SER 53 Cb 1.21 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1sqs h SER 53 CO 0.55 0.06 -0.19 -0.08 -0.87 0.00 0.00 176.83 176.31 1sqs h GLU 54 N 0.41 -0.31 -0.89 4.77 4.57 -1.99 -1.62 114.58 119.51 1sqs h GLU 54 Ca 0.44 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.67 1sqs h GLU 54 Cb 0.71 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.32 1sqs h GLU 54 CO -0.44 -0.21 0.58 0.93 -1.18 0.00 0.00 179.01 178.68 1sqs h GLU 55 N -0.33 1.09 0.45 1.92 4.39 -1.91 -0.61 114.58 119.57 1sqs h GLU 55 Ca -0.01 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1sqs h GLU 55 Cb 0.30 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1sqs h GLU 55 CO -0.06 0.72 -0.23 1.25 -1.16 0.00 0.00 179.01 179.52 1sqs h LEU 56 N 1.12 -0.56 0.18 1.33 5.85 -0.98 -0.97 115.31 121.28 1sqs h LEU 56 Ca 0.35 0.03 -0.33 0.00 0.84 0.00 0.00 57.88 58.77 1sqs h LEU 56 Cb 0.00 0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.20 1sqs h LEU 56 CO -0.12 -0.39 -1.59 -0.26 -0.34 0.00 0.00 178.44 175.75 1sqs h PHE 57 N -0.63 0.70 -0.17 1.25 0.04 -1.29 -1.21 116.94 115.63 1sqs h PHE 57 Ca -0.06 -0.51 -0.21 0.00 2.80 0.00 0.00 57.97 59.99 1sqs h PHE 57 Cb 0.49 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.62 1sqs h PHE 57 CO -0.06 1.54 -0.71 0.87 -0.60 0.00 0.00 178.31 179.35 1sqs h LYS 58 N 0.11 0.74 0.00 1.51 6.56 -1.21 -3.26 116.57 121.01 1sqs h LYS 58 Ca -0.28 -0.57 0.00 0.00 -1.06 0.00 0.00 60.65 58.74 1sqs h LYS 58 Cb 2.09 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 33.85 1sqs h LYS 58 CO 0.20 1.18 -0.29 1.63 -2.06 0.00 0.00 179.45 180.11 1sqs n LYS 59 N -3.94 5.02 -2.55 3.15 5.02 -0.46 -1.14 118.16 123.27 1sqs n LYS 59 Ca -0.06 -0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.04 1sqs n LYS 59 Cb 0.71 -0.77 0.01 0.00 -0.02 0.00 0.00 35.03 34.96 1sqs n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sqs n GLY 60 N 1.17 -0.39 3.69 0.72 0.00 -0.46 -4.86 105.19 105.06 1sqs n GLY 60 Ca 0.01 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1sqs n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sqs s ILE 61 N -2.99 5.11 -0.35 -0.61 1.01 -1.16 -4.99 121.20 117.22 1sqs s ILE 61 Ca 0.09 1.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.77 1sqs s ILE 61 Cb -0.04 -3.87 0.08 0.00 0.01 0.00 0.00 42.46 38.63 1sqs s ILE 61 CO 0.11 0.22 0.09 -0.62 0.00 0.00 0.00 174.94 174.75 1sqs s ASP 62 N 0.95 5.05 0.00 3.58 -1.08 -1.26 -4.42 116.67 119.49 1sqs s ASP 62 Ca 0.27 -1.66 0.29 0.00 -0.52 0.00 0.00 52.55 50.94 1sqs s ASP 62 Cb -0.16 -1.76 1.33 0.00 -1.46 0.00 0.00 42.92 40.87 1sqs s ASP 62 CO 0.11 -0.39 1.91 0.54 0.52 0.00 0.00 175.17 177.86 1sqs n ARG 63 N 4.59 0.85 -0.05 4.34 5.12 -1.26 -4.29 116.66 125.96 1sqs n ARG 63 Ca -0.07 -0.27 -0.05 0.00 -1.93 0.00 0.00 57.85 55.52 1sqs n ARG 63 Cb 0.42 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.17 1sqs n ARG 63 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1sqs n GLN 64 N -0.84 1.76 -0.28 5.56 6.02 -1.26 -4.74 117.38 123.61 1sqs n GLN 64 Ca 0.17 0.02 0.16 0.00 -0.01 0.00 0.00 57.00 57.34 1sqs n GLN 64 Cb 0.26 -1.21 0.43 0.00 1.02 0.00 0.00 30.24 30.74 1sqs n GLN 64 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1sqs h SER 65 N 0.00 0.56 -0.16 1.08 0.02 -1.91 0.11 113.55 113.25 1sqs h SER 65 Ca -0.23 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1sqs h SER 65 Cb 1.46 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.95 1sqs h SER 65 CO -0.01 0.23 0.00 0.59 -1.14 0.00 0.00 176.83 176.50 1sqs n ASN 66 N -4.59 0.87 -0.03 3.07 3.02 -1.26 -2.30 115.26 114.05 1sqs n ASN 66 Ca 0.20 -1.99 -0.00 0.00 -0.03 0.00 0.00 54.58 52.75 1sqs n ASN 66 Cb 0.62 -0.11 -0.08 0.00 -0.61 0.00 0.00 39.78 39.60 1sqs n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sqs n ALA 67 N -0.02 2.04 -3.00 5.41 0.00 0.38 -5.07 120.51 120.25 1sqs n ALA 67 Ca 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1sqs n ALA 67 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1sqs n ALA 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sqs n ASP 68 N -2.12 0.14 -0.28 0.00 3.85 -1.12 -5.02 116.55 111.99 1sqs n ASP 68 Ca -0.09 0.00 0.02 0.00 -0.71 0.00 0.00 54.79 54.01 1sqs n ASP 68 Cb 0.56 0.00 0.06 0.00 -1.35 0.00 0.00 41.12 40.39 1sqs n ASP 68 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1sqs n ASP 69 N 0.00 0.80 -0.32 -1.12 8.00 -0.30 -4.04 116.55 119.58 1sqs n ASP 69 Ca 0.00 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.49 1sqs n ASP 69 Cb 0.00 -0.12 0.18 0.00 -0.02 0.00 0.00 41.12 41.16 1sqs n ASP 69 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1sqs h GLY 70 N 5.65 1.30 0.88 0.44 0.00 -1.72 -1.11 103.07 108.51 1sqs h GLY 70 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1sqs h GLY 70 CO 0.01 0.43 -0.02 -1.33 0.00 0.00 0.00 176.54 175.62 1sqs h GLY 71 N 1.19 -0.07 1.40 4.60 0.00 -1.60 -1.16 103.07 107.43 1sqs h GLY 71 Ca 0.35 0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.60 1sqs h GLY 71 CO -0.09 -0.03 -0.20 -0.24 0.00 0.00 0.00 176.54 175.98 1sqs h VAL 72 N -0.19 1.27 -0.43 4.60 3.04 -1.81 -1.66 116.25 121.07 1sqs h VAL 72 Ca -0.01 -1.28 -0.02 0.00 -1.01 0.00 0.00 66.70 64.38 1sqs h VAL 72 Cb 0.16 1.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.63 1sqs h VAL 72 CO 0.01 0.42 0.18 0.40 -1.01 0.00 0.00 177.57 177.58 1sqs h ILE 73 N 0.62 1.20 -0.77 3.17 2.04 -1.10 -0.40 117.51 122.26 1sqs h ILE 73 Ca 0.09 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1sqs h ILE 73 Cb 0.68 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1sqs h ILE 73 CO 0.05 0.22 0.37 0.11 0.00 0.00 0.00 178.15 178.91 1sqs h LYS 74 N 0.56 1.11 -0.19 2.37 1.57 -1.01 -0.81 116.57 120.17 1sqs h LYS 74 Ca 0.15 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1sqs h LYS 74 Cb 0.18 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1sqs h LYS 74 CO -0.01 0.86 0.12 -0.22 -0.57 0.00 0.00 179.45 179.63 1sqs h LYS 75 N 1.09 0.25 -0.32 3.15 3.64 -0.92 -2.00 116.57 121.45 1sqs h LYS 75 Ca 0.27 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1sqs h LYS 75 Cb 0.11 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1sqs h LYS 75 CO -0.03 0.19 -0.04 0.93 -2.27 0.00 0.00 179.45 178.22 1sqs h GLU 76 N 0.24 0.51 -0.12 1.90 5.08 -0.83 -1.87 114.58 119.49 1sqs h GLU 76 Ca 0.07 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1sqs h GLU 76 Cb 0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1sqs h GLU 76 CO -0.01 0.58 0.06 -0.07 -1.00 0.00 0.00 179.01 178.56 1sqs h LEU 77 N 0.49 0.16 -1.38 1.33 3.38 -0.74 -1.40 115.31 117.14 1sqs h LEU 77 Ca 0.10 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1sqs h LEU 77 Cb 0.39 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1sqs h LEU 77 CO 0.02 0.22 -0.31 -0.07 0.09 0.00 0.00 178.44 178.38 1sqs h LEU 78 N 0.09 0.00 0.00 1.67 3.38 -1.13 -2.61 115.31 116.70 1sqs h LEU 78 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sqs h LEU 78 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1sqs h LEU 78 CO -0.01 0.31 -0.14 -0.33 0.09 0.00 0.00 178.44 178.36 1sqs h GLU 79 N 0.00 0.00 -7.19 1.13 5.08 -1.11 -3.47 114.58 109.02 1sqs h GLU 79 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1sqs h GLU 79 Cb 0.57 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.87 1sqs h GLU 79 CO 0.04 0.00 0.38 -1.54 -1.00 0.00 0.00 179.01 176.89 1sqs s SER 80 N -5.40 5.95 -0.21 1.42 1.04 -0.55 -4.84 113.70 111.12 1sqs s SER 80 Ca 0.08 1.78 0.10 0.00 0.48 0.00 0.00 55.95 58.38 1sqs s SER 80 Cb 0.09 -2.53 -0.19 0.00 0.10 0.00 0.00 66.02 63.48 1sqs s SER 80 CO 0.66 -1.05 -0.06 0.47 0.98 0.00 0.00 173.24 174.24 1sqs n ASP 81 N -1.93 1.22 -4.08 7.02 8.00 -0.09 -4.90 116.55 121.79 1sqs n ASP 81 Ca 0.08 -0.06 -0.22 0.00 0.71 0.00 0.00 54.79 55.31 1sqs n ASP 81 Cb 0.53 0.37 -0.15 0.00 -0.02 0.00 0.00 41.12 41.84 1sqs n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sqs s ILE 82 N -2.46 1.04 -0.09 0.53 1.01 -0.98 -1.99 121.20 118.25 1sqs s ILE 82 Ca -0.19 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1sqs s ILE 82 Cb 0.07 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.66 1sqs s ILE 82 CO 0.66 0.30 -0.19 -0.63 0.00 0.00 0.00 174.94 175.08 1sqs s ILE 83 N -0.16 1.72 -0.17 2.92 1.01 0.46 -0.67 121.20 126.31 1sqs s ILE 83 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1sqs s ILE 83 Cb -0.07 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.90 1sqs s ILE 83 CO 0.00 0.48 -0.17 -0.63 0.00 0.00 0.00 174.94 174.62 1sqs s ILE 84 N 0.54 2.38 -0.15 2.92 1.01 0.12 -0.78 121.20 127.24 1sqs s ILE 84 Ca -0.16 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1sqs s ILE 84 Cb -0.17 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.30 1sqs s ILE 84 CO 0.06 0.52 -0.17 -0.63 0.00 0.00 0.00 174.94 174.71 1sqs s ILE 85 N 1.10 2.45 0.03 2.92 -1.09 -0.66 -1.05 121.20 124.90 1sqs s ILE 85 Ca 0.00 -0.84 0.08 0.00 -2.23 0.00 0.00 60.65 57.66 1sqs s ILE 85 Cb -0.14 -2.02 -0.02 0.00 -1.58 0.00 0.00 42.46 38.69 1sqs s ILE 85 CO -0.06 0.53 -0.23 -0.94 -1.23 0.00 0.00 174.94 173.01 1sqs s SER 86 N 0.85 2.69 -0.07 3.58 1.04 -0.31 -1.21 113.70 120.26 1sqs s SER 86 Ca -0.05 -0.52 -0.09 0.00 0.48 0.00 0.00 55.95 55.77 1sqs s SER 86 Cb -0.15 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.74 1sqs s SER 86 CO -0.01 0.21 0.24 -0.55 0.98 0.00 0.00 173.24 174.11 1sqs s SER 87 N -1.07 -0.22 0.63 7.02 0.15 -0.02 -1.22 113.70 118.98 1sqs s SER 87 Ca 0.09 0.37 -0.15 0.00 0.70 0.00 0.00 55.95 56.96 1sqs s SER 87 Cb -0.09 0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 1sqs s SER 87 CO 0.01 -0.16 1.07 -2.84 1.20 0.00 0.00 173.24 172.52 1sqs s PRO 88 N -0.22 3.10 -0.45 5.44 0.02 -1.26 -1.74 135.00 139.89 1sqs s PRO 88 Ca -0.03 1.22 -0.05 0.00 0.02 0.00 0.00 61.00 62.15 1sqs s PRO 88 Cb -0.03 -2.00 0.12 0.00 0.02 0.00 0.00 34.50 32.61 1sqs s PRO 88 CO 0.01 -0.99 0.27 0.08 -0.33 0.00 0.00 177.00 176.04 1sqs s VAL 89 N -2.52 3.63 -0.14 3.83 1.01 0.18 -3.48 120.40 122.91 1sqs s VAL 89 Ca 0.64 -2.03 0.02 0.00 0.00 0.00 0.00 61.98 60.61 1sqs s VAL 89 Cb -0.17 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1sqs s VAL 89 CO 0.41 -0.73 -0.20 -0.47 0.00 0.00 0.00 175.10 174.10 1sqs s TYR 90 N 1.13 2.53 -1.17 5.22 6.04 -1.10 -4.43 117.35 125.57 1sqs s TYR 90 Ca 0.08 -1.28 -0.05 0.00 0.04 0.00 0.00 57.07 55.86 1sqs s TYR 90 Cb -0.24 -1.74 0.01 0.00 -1.04 0.00 0.00 41.96 38.95 1sqs s TYR 90 CO -0.03 -0.60 1.01 1.28 -1.54 0.00 0.00 175.55 175.67 1sqs n LEU 91 N 4.13 -3.47 -3.69 6.97 4.77 -1.26 -3.25 117.00 121.20 1sqs n LEU 91 Ca -0.20 -0.51 -0.28 0.00 -0.03 0.00 0.00 56.01 54.99 1sqs n LEU 91 Cb 0.51 -2.81 0.00 0.00 -2.33 0.00 0.00 43.42 38.79 1sqs n LEU 91 CO 0.26 0.51 0.02 0.00 -1.33 0.00 0.00 177.39 176.85 1sqs n GLN 92 N -4.31 -4.16 -3.93 3.23 3.00 -1.26 -4.94 117.38 105.01 1sqs n GLN 92 Ca -0.08 0.52 -0.08 0.00 -0.01 0.00 0.00 57.00 57.35 1sqs n GLN 92 Cb 0.59 -5.31 -0.04 0.00 0.00 0.00 0.00 30.24 25.48 1sqs n GLN 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1sqs s ASN 93 N -3.01 -0.15 0.87 1.08 3.84 -1.20 -4.65 114.94 111.71 1sqs s ASN 93 Ca 0.55 -0.80 -0.11 0.00 0.21 0.00 0.00 52.86 52.72 1sqs s ASN 93 Cb -0.29 0.66 0.12 0.00 -0.55 0.00 0.00 41.25 41.19 1sqs s ASN 93 CO 0.68 -1.25 1.10 0.68 -2.79 0.00 0.00 177.10 175.51 1sqs s VAL 94 N -3.92 2.76 0.82 -5.21 -7.23 -1.26 -2.70 120.40 103.65 1sqs s VAL 94 Ca 0.17 0.25 -0.11 0.00 -1.81 0.00 0.00 61.98 60.48 1sqs s VAL 94 Cb -0.03 -2.63 0.08 0.00 0.56 0.00 0.00 36.38 34.36 1sqs s VAL 94 CO 0.08 -0.32 1.09 -0.94 -0.31 0.00 0.00 175.10 174.70 1sqs s SER 95 N -3.23 4.23 0.18 4.85 1.04 -1.23 -4.78 113.70 114.76 1sqs s SER 95 Ca 0.63 1.45 -0.13 0.00 0.48 0.00 0.00 55.95 58.38 1sqs s SER 95 Cb -0.19 -2.17 0.16 0.00 0.10 0.00 0.00 66.02 63.92 1sqs s SER 95 CO 0.57 -2.16 1.73 0.58 0.98 0.00 0.00 173.24 174.95 1sqs h VAL 96 N -1.21 0.79 -0.01 5.02 2.07 -1.95 -0.07 116.25 120.89 1sqs h VAL 96 Ca -0.47 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 66.85 1sqs h VAL 96 Cb 1.26 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1sqs h VAL 96 CO 0.57 0.05 -0.47 0.44 0.02 0.00 0.00 177.57 178.18 1sqs h ASP 97 N 0.28 0.02 -0.28 0.57 3.32 -1.93 -0.37 116.42 118.04 1sqs h ASP 97 Ca 0.23 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 1sqs h ASP 97 Cb 0.27 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1sqs h ASP 97 CO -0.27 0.49 -0.32 0.74 -1.72 0.00 0.00 179.24 178.16 1sqs h THR 98 N 0.02 1.30 -0.57 0.35 2.02 -1.57 -0.38 112.91 114.09 1sqs h THR 98 Ca -0.00 -1.50 -0.04 0.00 0.77 0.00 0.00 66.41 65.64 1sqs h THR 98 Cb 0.84 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 1sqs h THR 98 CO 0.06 0.48 0.18 0.50 0.37 0.00 0.00 175.52 177.11 1sqs h LYS 99 N 0.45 0.85 -0.54 6.66 1.63 -0.75 -1.78 116.57 123.09 1sqs h LYS 99 Ca 0.04 -0.15 -0.12 0.00 -0.85 0.00 0.00 60.65 59.57 1sqs h LYS 99 Cb 0.89 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.37 1sqs h LYS 99 CO 0.08 0.73 -0.13 -0.97 -3.45 0.00 0.00 179.45 175.71 1sqs h ASN 100 N 0.82 1.04 -0.38 4.20 -1.24 -0.82 -0.20 115.58 119.00 1sqs h ASN 100 Ca 0.19 -0.36 0.03 0.00 0.71 0.00 0.00 56.30 56.87 1sqs h ASN 100 Cb 0.23 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.97 1sqs h ASN 100 CO -0.01 1.16 0.18 0.15 -1.29 0.00 0.00 177.43 177.62 1sqs h PHE 101 N 0.91 0.33 -0.39 0.67 3.04 -0.67 0.14 116.94 120.96 1sqs h PHE 101 Ca 0.14 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 1sqs h PHE 101 Cb 0.70 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 1sqs h PHE 101 CO 0.05 0.16 0.21 0.82 -2.02 0.00 0.00 178.31 177.53 1sqs h ILE 102 N 0.37 1.15 -0.36 1.41 2.04 -1.12 -2.69 117.51 118.31 1sqs h ILE 102 Ca 0.17 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 1sqs h ILE 102 Cb 0.09 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1sqs h ILE 102 CO -0.13 0.16 -0.12 -0.33 0.00 0.00 0.00 178.15 177.73 1sqs h GLU 103 N 0.50 0.64 0.00 2.37 5.08 -0.64 -2.43 114.58 120.10 1sqs h GLU 103 Ca 0.14 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1sqs h GLU 103 Cb 0.06 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sqs h GLU 103 CO -0.02 0.74 -0.11 0.00 -1.00 0.00 0.00 179.01 178.62 1sqs h ARG 104 N 0.58 0.00 -0.51 2.33 2.47 -0.42 -1.18 114.38 117.65 1sqs h ARG 104 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1sqs h ARG 104 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1sqs h ARG 104 CO 0.03 0.11 0.00 0.44 0.56 0.00 0.00 179.97 181.11 1sqs n ILE 105 N -3.52 1.60 0.31 2.04 -5.35 -1.03 -4.56 119.36 108.86 1sqs n ILE 105 Ca -0.01 -1.24 0.18 0.00 -0.27 0.00 0.00 62.75 61.41 1sqs n ILE 105 Cb 0.25 0.20 1.03 0.00 -1.74 0.00 0.00 39.64 39.38 1sqs n ILE 105 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1sqs h GLY 106 N 3.15 0.00 2.00 3.28 0.00 -0.73 -1.48 103.07 109.29 1sqs h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sqs h GLY 106 CO 0.14 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.35 1sqs h GLY 107 N 0.00 0.00 -1.33 4.60 0.00 -1.80 -1.49 103.07 103.05 1sqs h GLY 107 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1sqs h GLY 107 CO -0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.33 1sqs n TRP 108 N -2.35 0.15 -0.32 5.60 8.01 -0.56 -4.61 117.44 123.35 1sqs n TRP 108 Ca -0.00 -0.08 0.21 0.00 -1.31 0.00 0.00 57.50 56.32 1sqs n TRP 108 Cb 0.12 0.00 0.41 0.00 -2.01 0.00 0.00 31.31 29.83 1sqs n TRP 108 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 1sqs h SER 109 N 3.40 0.02 -0.28 -0.99 0.02 -1.43 -1.59 113.55 112.71 1sqs h SER 109 Ca 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1sqs h SER 109 Cb 0.73 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1sqs h SER 109 CO 0.00 -0.31 0.00 1.41 -1.14 0.00 0.00 176.83 176.79 1sqs n HIS 110 N -5.30 0.91 0.57 3.45 8.25 -1.26 -4.61 115.22 117.24 1sqs n HIS 110 Ca 0.29 -0.82 0.06 0.00 -0.26 0.00 0.00 57.72 56.98 1sqs n HIS 110 Cb 0.94 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 31.73 1sqs n HIS 110 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sqs n LEU 111 N -0.34 0.90 -3.89 2.41 4.77 -0.60 -5.01 117.00 115.23 1sqs n LEU 111 Ca 0.20 -0.61 -0.30 0.00 -0.03 0.00 0.00 56.01 55.27 1sqs n LEU 111 Cb 0.84 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.95 1sqs n LEU 111 CO 0.15 0.20 0.09 0.49 -1.33 0.00 0.00 177.39 176.98 1sqs n PHE 112 N -0.85 -2.23 0.38 -1.77 3.01 -1.25 -4.85 117.46 109.91 1sqs n PHE 112 Ca 0.03 0.87 0.12 0.00 1.01 0.00 0.00 57.45 59.48 1sqs n PHE 112 Cb 0.22 -3.84 0.51 0.00 -0.01 0.00 0.00 39.48 36.37 1sqs n PHE 112 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1sqs h ARG 113 N -1.96 0.00 -0.42 -1.08 3.08 -1.95 -2.34 114.38 109.71 1sqs h ARG 113 Ca -0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.48 1sqs h ARG 113 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1sqs h ARG 113 CO 0.67 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.85 1sqs n LEU 114 N -2.33 2.90 -4.73 3.04 4.77 -1.26 -4.94 117.00 114.44 1sqs n LEU 114 Ca 0.02 -1.34 -0.42 0.00 -0.03 0.00 0.00 56.01 54.24 1sqs n LEU 114 Cb 0.24 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1sqs n LEU 114 CO 0.20 0.67 1.17 0.00 -1.33 0.00 0.00 177.39 178.10 1sqs n ALA 115 N 1.10 2.21 0.00 -1.18 0.00 -0.88 -1.40 120.51 120.36 1sqs n ALA 115 Ca 0.19 0.37 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1sqs n ALA 115 Cb 0.49 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1sqs n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqs n GLY 116 N 1.79 2.50 3.88 0.00 0.00 -1.26 -4.96 105.19 107.14 1sqs n GLY 116 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1sqs n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqs s LYS 117 N -0.61 3.76 -0.18 1.61 1.02 -0.49 -4.85 119.74 120.00 1sqs s LYS 117 Ca 0.00 0.19 -0.06 0.00 0.02 0.00 0.00 55.97 56.12 1sqs s LYS 117 Cb 0.00 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 1sqs s LYS 117 CO 0.00 0.39 0.03 -0.06 -0.92 0.00 0.00 175.35 174.79 1sqs s PHE 118 N -1.71 3.17 -0.10 3.18 0.40 -0.84 -0.84 117.98 121.24 1sqs s PHE 118 Ca 0.44 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.70 1sqs s PHE 118 Cb -0.12 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 1sqs s PHE 118 CO 0.22 0.07 -0.12 0.08 0.70 0.00 0.00 175.22 176.16 1sqs s VAL 119 N 0.43 3.18 -0.08 -0.44 1.01 0.92 -0.40 120.40 125.02 1sqs s VAL 119 Ca 0.01 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.39 1sqs s VAL 119 Cb -0.13 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 1sqs s VAL 119 CO 0.01 0.55 -0.22 -0.69 0.00 0.00 0.00 175.10 174.75 1sqs s VAL 120 N -0.08 1.91 0.09 2.92 1.01 0.04 -0.72 120.40 125.57 1sqs s VAL 120 Ca -0.02 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.09 1sqs s VAL 120 Cb -0.14 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1sqs s VAL 120 CO 0.04 0.53 -0.16 0.42 0.00 0.00 0.00 175.10 175.93 1sqs s THR 121 N 0.22 2.98 -0.08 3.92 -4.23 -0.85 -1.66 115.64 115.95 1sqs s THR 121 Ca -0.13 -1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 1sqs s THR 121 Cb -0.16 -2.34 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1sqs s THR 121 CO 0.07 0.18 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.09 1sqs s LEU 122 N -1.94 0.73 -0.03 4.79 2.96 -0.35 -0.96 118.68 123.89 1sqs s LEU 122 Ca 0.18 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1sqs s LEU 122 Cb -0.11 -0.50 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 1sqs s LEU 122 CO 0.09 -0.17 -0.17 1.51 -1.32 0.00 0.00 176.35 176.29 1sqs s ASP 123 N 1.86 2.08 -0.11 3.68 -4.77 -0.16 -0.84 116.67 118.41 1sqs s ASP 123 Ca 0.04 -0.33 0.01 0.00 -3.30 0.00 0.00 52.55 48.97 1sqs s ASP 123 Cb -0.12 -0.38 0.02 0.00 -1.09 0.00 0.00 42.92 41.34 1sqs s ASP 123 CO -0.05 0.19 -0.12 -0.69 0.70 0.00 0.00 175.17 175.20 1sqs s VAL 124 N -0.21 1.28 -0.04 2.11 1.01 -0.71 -0.66 120.40 123.18 1sqs s VAL 124 Ca 0.02 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1sqs s VAL 124 Cb -0.09 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1sqs s VAL 124 CO 0.00 0.40 -0.19 0.00 0.00 0.00 0.00 175.10 175.32 1sqs s ALA 125 N 1.28 2.47 -2.60 5.51 0.00 -0.21 0.51 121.76 128.72 1sqs s ALA 125 Ca -0.02 -1.03 0.24 0.00 0.00 0.00 0.00 51.96 51.15 1sqs s ALA 125 Cb -0.14 -0.81 0.52 0.00 0.00 0.00 0.00 23.12 22.70 1sqs s ALA 125 CO -0.05 0.55 1.44 0.39 0.00 0.00 0.00 175.76 178.09 1sqs n GLU 126 N 2.35 2.16 0.00 0.00 -0.58 -1.26 -1.42 120.64 121.89 1sqs n GLU 126 Ca -0.17 -1.72 0.00 0.00 -0.42 0.00 0.00 57.16 54.85 1sqs n GLU 126 Cb 0.52 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 1sqs n GLU 126 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1sqs n SER 127 N 1.00 0.00 0.00 1.62 3.41 -1.26 -4.64 113.62 113.75 1sqs n SER 127 Ca 0.17 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1sqs n SER 127 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1sqs n SER 127 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sqs n ASN 128 N 0.00 0.00 0.00 4.04 4.05 -1.26 -4.92 115.26 117.17 1sqs n ASN 128 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1sqs n ASN 128 Cb 0.37 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.38 1sqs n ASN 128 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1sqs n GLY 129 N 0.00 1.87 2.99 8.20 0.00 -1.26 -4.88 105.19 112.11 1sqs n GLY 129 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1sqs n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sqs n SER 130 N 0.00 -7.32 -4.71 1.61 7.64 -1.26 -5.04 113.62 104.54 1sqs n SER 130 Ca 0.00 0.62 -0.27 0.00 1.01 0.00 0.00 58.87 60.24 1sqs n SER 130 Cb 0.00 -4.15 -0.08 0.00 -1.01 0.00 0.00 64.21 58.97 1sqs n SER 130 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1sqs s ASP 131 N -1.92 4.23 -0.24 6.43 -4.77 -1.26 -5.06 116.67 114.09 1sqs s ASP 131 Ca 0.18 -1.23 0.10 0.00 -3.30 0.00 0.00 52.55 48.30 1sqs s ASP 131 Cb -0.04 -0.31 0.44 0.00 -1.09 0.00 0.00 42.92 41.92 1sqs s ASP 131 CO 0.70 -0.57 1.20 0.59 0.70 0.00 0.00 175.17 177.79 1sqs n ASN 132 N -1.18 3.00 -0.09 2.11 4.13 -1.26 -4.81 115.26 117.17 1sqs n ASN 132 Ca -0.04 -3.69 -0.10 0.00 1.68 0.00 0.00 54.58 52.43 1sqs n ASN 132 Cb 0.66 -0.44 -0.03 0.00 -1.54 0.00 0.00 39.78 38.42 1sqs n ASN 132 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1sqs h VAL 133 N 1.93 1.20 -0.74 2.41 2.07 -1.96 -1.27 116.25 119.90 1sqs h VAL 133 Ca 0.14 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1sqs h VAL 133 Cb 1.27 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1sqs h VAL 133 CO 0.33 0.21 0.44 0.77 0.02 0.00 0.00 177.57 179.33 1sqs h SER 134 N 0.27 0.88 -0.54 0.57 4.64 -1.97 -0.43 113.55 116.97 1sqs h SER 134 Ca 0.09 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.26 1sqs h SER 134 Cb 0.25 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1sqs h SER 134 CO -0.00 0.69 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.28 1sqs h GLU 135 N 1.02 1.00 -0.16 4.77 3.07 -1.87 -0.84 114.58 121.57 1sqs h GLU 135 Ca 0.26 -0.33 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1sqs h GLU 135 Cb -0.03 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1sqs h GLU 135 CO -0.05 1.00 0.04 -0.92 -1.40 0.00 0.00 179.01 177.69 1sqs h TYR 136 N 0.91 0.26 -0.55 4.33 5.03 -0.45 -1.11 116.97 125.38 1sqs h TYR 136 Ca 0.16 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.40 1sqs h TYR 136 Cb 0.58 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.76 1sqs h TYR 136 CO 0.04 0.38 0.17 -0.07 -1.32 0.00 0.00 178.16 177.36 1sqs h LEU 137 N 0.06 0.75 0.04 2.82 3.38 -0.98 -1.17 115.31 120.21 1sqs h LEU 137 Ca 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1sqs h LEU 137 Cb 0.25 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1sqs h LEU 137 CO -0.00 0.72 -0.02 -0.09 0.09 0.00 0.00 178.44 179.14 1sqs h ARG 138 N 0.80 -0.05 -0.26 1.13 2.43 -0.93 -1.94 114.38 115.56 1sqs h ARG 138 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1sqs h ARG 138 Cb 0.23 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1sqs h ARG 138 CO -0.01 -0.03 0.16 -0.44 -1.51 0.00 0.00 179.97 178.15 1sqs h ASP 139 N -0.06 0.30 0.29 -3.80 3.32 -0.78 -0.93 116.42 114.76 1sqs h ASP 139 Ca -0.01 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1sqs h ASP 139 Cb 0.05 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1sqs h ASP 139 CO 0.01 0.24 -0.14 0.40 -1.72 0.00 0.00 179.24 178.03 1sqs h ILE 140 N 0.34 0.74 0.00 0.35 1.08 -1.16 -0.96 117.51 117.90 1sqs h ILE 140 Ca 0.09 -0.23 -0.09 0.00 -0.39 0.00 0.00 64.86 64.24 1sqs h ILE 140 Cb -0.01 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1sqs h ILE 140 CO -0.02 0.05 -0.41 -0.26 -0.69 0.00 0.00 178.15 176.82 1sqs h PHE 141 N -0.51 0.00 -0.05 1.37 0.04 -1.37 -2.97 116.94 113.45 1sqs h PHE 141 Ca -0.04 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.48 1sqs h PHE 141 Cb 0.38 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.55 1sqs h PHE 141 CO -0.02 0.41 -0.96 0.66 -0.60 0.00 0.00 178.31 177.80 1sqs h SER 142 N 0.00 0.91 0.00 2.17 4.64 -1.14 -1.09 113.55 119.04 1sqs h SER 142 Ca -0.00 -0.69 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 1sqs h SER 142 Cb 0.92 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1sqs h SER 142 CO 0.05 1.49 0.00 0.00 -0.87 0.00 0.00 176.83 177.50 1sqs n TYR 143 N -3.87 0.00 0.00 4.77 4.19 -0.37 -3.90 117.16 117.98 1sqs n TYR 143 Ca -0.10 -0.07 0.00 0.00 3.31 0.00 0.00 57.90 61.04 1sqs n TYR 143 Cb 0.84 -0.25 0.00 0.00 0.49 0.00 0.00 39.34 40.42 1sqs n TYR 143 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1sqs n GLY 145 N 1.81 0.51 3.78 2.98 0.00 -1.15 -4.73 105.19 108.39 1sqs n GLY 145 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1sqs n GLY 145 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sqs s GLY 146 N -1.23 2.62 -0.11 -0.02 0.00 -0.42 -3.46 107.32 104.70 1sqs s GLY 146 Ca 0.00 0.78 -0.19 0.00 0.00 0.00 0.00 44.72 45.31 1sqs s GLY 146 CO 0.00 1.14 0.52 1.62 0.00 0.00 0.00 173.10 176.38 1sqs s GLN 147 N -3.21 4.36 -0.77 2.90 0.74 -0.02 -4.13 119.66 119.53 1sqs s GLN 147 Ca 0.70 0.54 -0.24 0.00 0.05 0.00 0.00 55.36 56.41 1sqs s GLN 147 Cb -0.22 -3.44 0.05 0.00 1.10 0.00 0.00 33.01 30.50 1sqs s GLN 147 CO 0.26 0.14 1.19 0.42 -0.55 0.00 0.00 175.29 176.75 1sqs s ILE 148 N 0.67 4.03 0.12 -2.34 -1.09 -1.26 -0.06 121.20 121.27 1sqs s ILE 148 Ca 0.28 -0.18 -0.13 0.00 -2.23 0.00 0.00 60.65 58.40 1sqs s ILE 148 Cb -0.16 -4.85 -0.07 0.00 -1.58 0.00 0.00 42.46 35.80 1sqs s ILE 148 CO 0.12 -1.72 1.44 0.25 -1.23 0.00 0.00 174.94 173.81 1sqs h LEU 149 N 12.25 0.90 -7.00 2.97 5.85 -1.28 -3.48 115.31 125.52 1sqs h LEU 149 Ca -0.17 -0.48 0.09 0.00 0.84 0.00 0.00 57.88 58.16 1sqs h LEU 149 Cb 1.05 -0.25 -0.24 0.00 0.37 0.00 0.00 40.66 41.59 1sqs h LEU 149 CO 1.26 1.19 0.55 -2.28 -0.34 0.00 0.00 178.44 178.82 1sqs s HIS 150 N -4.35 -0.37 -0.04 1.25 5.04 -1.22 -5.05 115.29 110.55 1sqs s HIS 150 Ca -0.12 0.67 0.03 0.00 -1.54 0.00 0.00 55.06 54.10 1sqs s HIS 150 Cb 0.10 0.44 0.00 0.00 0.04 0.00 0.00 32.58 33.17 1sqs s HIS 150 CO 0.86 -0.31 -0.13 -0.65 -2.34 0.00 0.00 174.74 172.17 1sqs s GLN 151 N -0.94 1.48 -0.13 2.88 -0.21 -1.26 -2.01 119.66 119.47 1sqs s GLN 151 Ca -0.01 -0.45 0.03 0.00 0.02 0.00 0.00 55.36 54.95 1sqs s GLN 151 Cb -0.01 -1.29 0.01 0.00 1.00 0.00 0.00 33.01 32.72 1sqs s GLN 151 CO 0.00 0.14 -0.22 0.08 -2.12 0.00 0.00 175.29 173.17 1sqs s VAL 152 N 0.26 2.04 -0.22 1.09 1.01 -0.14 -4.98 120.40 119.47 1sqs s VAL 152 Ca -0.07 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1sqs s VAL 152 Cb -0.12 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.51 1sqs s VAL 152 CO 0.02 0.55 -0.12 -0.44 0.00 0.00 0.00 175.10 175.10 1sqs s SER 153 N 0.71 3.72 0.04 3.32 0.01 -1.26 -0.99 113.70 119.25 1sqs s SER 153 Ca -0.10 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.15 1sqs s SER 153 Cb -0.16 -1.40 -0.04 0.00 0.21 0.00 0.00 66.02 64.64 1sqs s SER 153 CO 0.01 -0.13 0.06 -0.63 0.41 0.00 0.00 173.24 172.95 1sqs s ILE 154 N 1.27 4.50 0.02 1.44 1.01 0.17 -4.99 121.20 124.62 1sqs s ILE 154 Ca -0.03 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.02 1sqs s ILE 154 Cb -0.17 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 1sqs s ILE 154 CO -0.08 0.25 -0.07 0.42 0.00 0.00 0.00 174.94 175.46 1sqs s THR 155 N -1.26 0.54 0.48 2.92 -4.23 -1.26 -1.05 115.64 111.78 1sqs s THR 155 Ca 0.25 -0.72 0.17 0.00 -1.18 0.00 0.00 61.69 60.22 1sqs s THR 155 Cb -0.12 -0.54 0.23 0.00 1.34 0.00 0.00 72.50 73.42 1sqs s THR 155 CO 0.17 -0.14 2.07 -1.13 -0.54 0.00 0.00 174.62 175.04 1sqs h ASN 156 N 5.16 0.00 1.07 3.99 -1.24 -1.50 0.18 115.58 123.24 1sqs h ASN 156 Ca -0.33 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.67 1sqs h ASN 156 Cb 1.20 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.24 1sqs h ASN 156 CO 0.45 0.11 -0.05 0.77 -1.29 0.00 0.00 177.43 177.41 1sqs h SER 157 N 0.00 0.00 -0.33 1.15 4.64 -1.87 -2.97 113.55 114.16 1sqs h SER 157 Ca -0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1sqs h SER 157 Cb 0.20 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.02 1sqs h SER 157 CO 0.01 0.05 -0.79 0.18 -0.87 0.00 0.00 176.83 175.42 1sqs n LEU 158 N -3.16 3.07 0.19 5.97 4.32 -0.29 -4.80 117.00 122.29 1sqs n LEU 158 Ca 0.01 -3.79 0.14 0.00 -0.02 0.00 0.00 56.01 52.35 1sqs n LEU 158 Cb 0.35 -0.23 0.64 0.00 -1.62 0.00 0.00 43.42 42.56 1sqs n LEU 158 CO 0.29 1.46 0.91 0.07 -1.22 0.00 0.00 177.39 178.91 1sqs h LYS 159 N 1.67 0.00 0.00 3.23 2.10 -0.87 -2.73 116.57 119.97 1sqs h LYS 159 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1sqs h LYS 159 Cb 1.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1sqs h LYS 159 CO 0.31 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 177.32 1sqs h ASP 160 N 0.00 0.00 -0.16 7.07 5.19 -1.86 -2.58 116.42 124.07 1sqs h ASP 160 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1sqs h ASP 160 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1sqs h ASP 160 CO 0.00 0.00 0.00 2.30 -3.12 0.00 0.00 179.24 178.42 1sqs n ILE 161 N -2.37 0.28 -0.13 0.35 -5.35 -1.03 -4.61 119.36 106.50 1sqs n ILE 161 Ca 0.02 -0.64 -0.04 0.00 -0.27 0.00 0.00 62.75 61.82 1sqs n ILE 161 Cb 0.27 1.11 0.04 0.00 -1.74 0.00 0.00 39.64 39.32 1sqs n ILE 161 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sqs h ALA 162 N 3.20 0.47 -0.45 -1.28 0.00 -1.57 -0.01 119.26 119.62 1sqs h ALA 162 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1sqs h ALA 162 Cb 0.74 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1sqs h ALA 162 CO 0.00 -0.31 0.20 0.93 0.00 0.00 0.00 179.25 180.07 1sqs h GLU 163 N 0.22 0.39 -0.53 0.00 4.39 -1.81 0.20 114.58 117.43 1sqs h GLU 163 Ca 0.21 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 1sqs h GLU 163 Cb 0.26 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1sqs h GLU 163 CO -0.27 0.26 0.16 0.00 -1.16 0.00 0.00 179.01 178.00 1sqs h ALA 164 N 1.26 1.30 -0.49 3.43 0.00 -1.71 -2.62 119.26 120.42 1sqs h ALA 164 Ca 0.20 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1sqs h ALA 164 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1sqs h ALA 164 CO -0.17 0.51 -0.16 1.96 0.00 0.00 0.00 179.25 181.38 1sqs h GLN 165 N 0.77 0.96 -1.58 0.00 4.20 -0.01 -1.54 115.11 117.91 1sqs h GLN 165 Ca 0.18 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1sqs h GLN 165 Cb 0.23 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1sqs h GLN 165 CO -0.01 1.05 0.00 1.28 -0.67 0.00 0.00 178.83 180.48 1sqs n LEU 166 N -4.13 1.97 0.00 1.46 4.77 -0.04 -1.93 117.00 119.10 1sqs n LEU 166 Ca 0.01 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1sqs n LEU 166 Cb 0.43 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1sqs n LEU 166 CO 0.46 0.34 0.00 1.21 -1.33 0.00 0.00 177.39 178.07 1sqs n GLU 168 N 0.97 0.00 -0.28 3.23 2.13 -0.58 -1.56 120.64 124.55 1sqs n GLU 168 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1sqs n GLU 168 Cb 0.28 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.05 1sqs n GLU 168 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sqs h ALA 169 N 0.00 0.99 -0.76 4.31 0.00 -1.66 -1.96 119.26 120.18 1sqs h ALA 169 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1sqs h ALA 169 Cb 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1sqs h ALA 169 CO 0.00 0.50 0.43 1.15 0.00 0.00 0.00 179.25 181.33 1sqs h THR 170 N 1.07 1.23 -0.89 0.00 2.02 -1.57 -1.10 112.91 113.67 1sqs h THR 170 Ca 0.27 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1sqs h THR 170 Cb 0.02 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.59 1sqs h THR 170 CO -0.05 0.25 0.57 1.88 0.37 0.00 0.00 175.52 178.54 1sqs h TYR 171 N 1.05 1.13 -0.59 3.16 0.99 -1.70 0.72 116.97 121.73 1sqs h TYR 171 Ca 0.27 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.94 1sqs h TYR 171 Cb 0.01 -0.38 -0.02 0.00 1.00 0.00 0.00 36.73 37.34 1sqs h TYR 171 CO -0.00 0.72 0.06 0.87 -0.00 0.00 0.00 178.16 179.81 1sqs h LYS 172 N 1.21 1.00 -0.61 4.88 1.79 -0.89 -2.49 116.57 121.46 1sqs h LYS 172 Ca 0.32 -0.29 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 1sqs h LYS 172 Cb -0.11 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.41 1sqs h LYS 172 CO -0.07 0.97 0.09 0.82 -1.08 0.00 0.00 179.45 180.18 1sqs h ILE 173 N 0.90 1.26 -0.17 1.86 2.04 -0.65 -2.65 117.51 120.10 1sqs h ILE 173 Ca 0.17 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1sqs h ILE 173 Cb 0.48 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1sqs h ILE 173 CO 0.02 0.37 0.03 -0.33 0.00 0.00 0.00 178.15 178.25 1sqs h GLU 174 N 0.92 0.23 -0.67 2.37 5.08 -0.61 -0.46 114.58 121.44 1sqs h GLU 174 Ca 0.19 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1sqs h GLU 174 Cb 0.43 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1sqs h GLU 174 CO 0.01 0.22 0.33 -0.44 -1.00 0.00 0.00 179.01 178.13 1sqs h ASP 175 N 0.23 0.86 -0.13 1.42 3.32 -1.08 0.83 116.42 121.86 1sqs h ASP 175 Ca 0.06 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 1sqs h ASP 175 Cb 0.10 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1sqs h ASP 175 CO -0.00 0.72 -0.22 0.58 -1.72 0.00 0.00 179.24 178.60 1sqs h VAL 176 N 0.95 1.37 -0.29 -1.35 2.07 -1.10 0.80 116.25 118.70 1sqs h VAL 176 Ca 0.23 -1.46 0.04 0.00 0.82 0.00 0.00 66.70 66.33 1sqs h VAL 176 Cb 0.09 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1sqs h VAL 176 CO -0.03 0.43 0.20 -0.07 0.02 0.00 0.00 177.57 178.12 1sqs h LEU 177 N -0.02 0.20 -1.29 2.57 3.38 -0.81 -0.61 115.31 118.74 1sqs h LEU 177 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1sqs h LEU 177 Cb 0.79 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1sqs h LEU 177 CO 0.05 0.14 0.00 -0.62 0.09 0.00 0.00 178.44 178.10 1sqs n GLU 178 N -4.49 1.85 -1.56 1.13 1.02 0.25 -4.94 120.64 113.89 1sqs n GLU 178 Ca 0.03 -1.27 -0.12 0.00 -0.02 0.00 0.00 57.16 55.78 1sqs n GLU 178 Cb 0.20 -1.41 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1sqs n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sqs n GLY 179 N 1.18 0.91 0.06 0.62 0.00 -0.24 -4.91 105.19 102.82 1sqs n GLY 179 Ca 0.16 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.84 1sqs n GLY 179 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqs n LYS 180 N -2.52 0.21 -4.53 1.61 5.02 0.24 -4.81 118.16 113.38 1sqs n LYS 180 Ca -0.12 0.10 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 1sqs n LYS 180 Cb 0.44 -1.67 -0.16 0.00 -0.02 0.00 0.00 35.03 33.62 1sqs n LYS 180 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sqs s ILE 181 N -3.10 1.00 0.17 -0.18 1.01 -1.22 -5.00 121.20 113.87 1sqs s ILE 181 Ca 0.09 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.36 1sqs s ILE 181 Cb 0.14 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1sqs s ILE 181 CO 0.66 0.31 -0.05 -0.54 0.00 0.00 0.00 174.94 175.32 1sqs s LYS 182 N 0.32 2.25 0.16 2.79 -0.14 -1.26 -4.80 119.74 119.05 1sqs s LYS 182 Ca -0.07 -1.16 -0.31 0.00 -1.36 0.00 0.00 55.97 53.07 1sqs s LYS 182 Cb -0.11 -2.28 -0.11 0.00 -1.68 0.00 0.00 37.83 33.65 1sqs s LYS 182 CO 0.02 0.45 1.76 -0.47 -0.76 0.00 0.00 175.35 176.35 1sqs s TYR 183 N -1.67 2.53 -0.02 3.18 5.04 -1.26 -5.00 117.35 120.16 1sqs s TYR 183 Ca 0.26 0.19 -0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1sqs s TYR 183 Cb -0.09 -4.13 0.02 0.00 0.35 0.00 0.00 41.96 38.11 1sqs s TYR 183 CO 0.17 -4.48 0.03 0.15 -1.34 0.00 0.00 175.55 170.08 1sqs s LYS 184 N 2.00 -0.02 0.51 4.97 1.02 -1.26 -5.05 119.74 121.91 1sqs s LYS 184 Ca 0.77 0.15 -0.11 0.00 0.02 0.00 0.00 55.97 56.80 1sqs s LYS 184 Cb -0.47 -0.17 -0.06 0.00 -0.52 0.00 0.00 37.83 36.62 1sqs s LYS 184 CO 0.34 -0.12 0.91 0.95 -0.92 0.00 0.00 175.35 176.51 1sqs s THR 185 N 0.76 4.72 0.38 2.17 -4.23 -1.26 -4.91 115.64 113.27 1sqs s THR 185 Ca -0.06 0.79 0.07 0.00 -1.18 0.00 0.00 61.69 61.31 1sqs s THR 185 Cb -0.09 -3.80 -0.00 0.00 1.34 0.00 0.00 72.50 69.95 1sqs s THR 185 CO -0.02 -0.82 0.49 0.42 -0.54 0.00 0.00 174.62 174.14 1sqs s THR 186 N -2.76 3.39 0.24 3.99 -4.23 -1.26 -4.98 115.64 110.04 1sqs s THR 186 Ca 0.54 -1.07 -0.06 0.00 -1.18 0.00 0.00 61.69 59.92 1sqs s THR 186 Cb -0.10 -3.16 0.21 0.00 1.34 0.00 0.00 72.50 70.79 1sqs s THR 186 CO 0.41 -0.07 1.86 0.44 -0.54 0.00 0.00 174.62 176.72 1sqs h ASP 187 N 0.83 1.09 -0.57 3.99 3.32 -1.99 -1.52 116.42 121.56 1sqs h ASP 187 Ca -0.43 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 56.61 1sqs h ASP 187 Cb 1.27 -0.28 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 1sqs h ASP 187 CO 0.50 0.87 0.20 0.22 -1.72 0.00 0.00 179.24 179.31 1sqs h TYR 188 N 1.21 0.34 -0.42 4.55 3.20 -1.99 0.05 116.97 123.91 1sqs h TYR 188 Ca 0.30 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 62.05 1sqs h TYR 188 Cb 0.04 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1sqs h TYR 188 CO 0.01 0.08 -0.33 1.96 -1.64 0.00 0.00 178.16 178.24 1sqs h GLN 189 N 0.37 0.97 -0.45 1.82 4.20 -1.74 -2.19 115.11 118.09 1sqs h GLN 189 Ca 0.29 -0.48 -0.09 0.00 0.06 0.00 0.00 58.65 58.43 1sqs h GLN 189 Cb 0.35 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1sqs h GLN 189 CO -0.30 1.14 -0.09 0.93 -0.67 0.00 0.00 178.83 179.84 1sqs h GLU 190 N 0.80 0.80 -0.50 1.46 4.39 -0.75 -0.51 114.58 120.28 1sqs h GLU 190 Ca 0.08 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.41 1sqs h GLU 190 Cb 0.92 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 1sqs h GLU 190 CO 0.09 0.86 -0.11 0.00 -1.16 0.00 0.00 179.01 178.69 1sqs h ARG 191 N 0.72 0.96 -0.68 2.33 3.08 -0.95 -1.12 114.38 118.73 1sqs h ARG 191 Ca 0.12 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 1sqs h ARG 191 Cb 0.58 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1sqs h ARG 191 CO 0.04 1.03 0.42 0.00 -1.07 0.00 0.00 179.97 180.38 1sqs h ALA 192 N 0.90 0.86 -0.28 0.04 0.00 -1.09 -0.01 119.26 119.67 1sqs h ALA 192 Ca 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sqs h ALA 192 Cb 0.67 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1sqs h ALA 192 CO 0.05 0.32 0.17 -0.92 0.00 0.00 0.00 179.25 178.87 1sqs h TYR 193 N 0.92 0.37 -0.31 0.00 5.03 -0.82 -0.42 116.97 121.74 1sqs h TYR 193 Ca 0.24 -0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.45 1sqs h TYR 193 Cb -0.04 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.10 1sqs h TYR 193 CO -0.02 0.28 -0.22 1.96 -1.32 0.00 0.00 178.16 178.84 1sqs h GLN 194 N 0.36 0.59 -0.10 1.82 1.08 -0.92 -1.21 115.11 116.72 1sqs h GLN 194 Ca 0.10 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1sqs h GLN 194 Cb 0.01 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1sqs h GLN 194 CO -0.02 0.77 0.02 1.15 -0.95 0.00 0.00 178.83 179.80 1sqs h THR 195 N 0.52 1.20 -0.43 -0.54 2.02 -0.70 -2.82 112.91 112.17 1sqs h THR 195 Ca 0.08 -0.63 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 1sqs h THR 195 Cb 0.66 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1sqs h THR 195 CO 0.05 0.18 -0.04 -0.07 0.37 0.00 0.00 175.52 176.01 1sqs h LEU 196 N -0.06 0.69 -0.46 2.58 3.38 -0.98 -2.92 115.31 117.55 1sqs h LEU 196 Ca 0.03 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1sqs h LEU 196 Cb 0.26 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1sqs h LEU 196 CO 0.00 0.79 0.24 0.50 0.09 0.00 0.00 178.44 180.05 1sqs h LYS 197 N 0.67 0.46 -0.56 1.13 3.64 -1.10 0.12 116.57 120.92 1sqs h LYS 197 Ca 0.13 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1sqs h LYS 197 Cb 0.47 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1sqs h LYS 197 CO 0.02 0.30 0.12 -0.07 -2.27 0.00 0.00 179.45 177.56 1sqs h LEU 198 N 0.47 0.81 0.09 5.20 3.38 -1.38 -1.62 115.31 122.25 1sqs h LEU 198 Ca 0.20 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sqs h LEU 198 Cb 0.09 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1sqs h LEU 198 CO -0.13 0.80 -0.04 0.40 0.09 0.00 0.00 178.44 179.55 1sqs h ILE 199 N 0.83 1.14 -0.03 1.22 2.04 -1.25 -3.32 117.51 118.15 1sqs h ILE 199 Ca 0.18 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 1sqs h ILE 199 Cb 0.32 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1sqs h ILE 199 CO 0.00 0.30 -0.19 -0.07 0.00 0.00 0.00 178.15 178.19 1sqs h LEU 200 N -0.79 0.04 -1.99 1.44 4.07 -0.80 -2.42 115.31 114.87 1sqs h LEU 200 Ca -0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 1sqs h LEU 200 Cb 0.59 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.32 1sqs h LEU 200 CO 0.02 0.24 -0.02 -0.08 -1.08 0.00 0.00 178.44 177.52 1sqs h GLU 201 N 0.04 0.00 -0.00 1.13 4.22 -1.38 -1.17 114.58 117.41 1sqs h GLU 201 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1sqs h GLU 201 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1sqs h GLU 201 CO 0.03 0.02 -0.33 0.09 -2.18 0.00 0.00 179.01 176.63 1sqs n ASN 202 N -4.50 0.45 -4.57 1.04 5.03 -0.91 -4.93 115.26 106.87 1sqs n ASN 202 Ca -0.03 -0.19 -0.28 0.00 0.87 0.00 0.00 54.58 54.95 1sqs n ASN 202 Cb 0.10 0.05 0.22 0.00 -1.02 0.00 0.00 39.78 39.13 1sqs n ASN 202 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1sqs s TYR 203 N -2.90 1.71 0.49 3.10 2.02 -0.44 -4.99 117.35 116.34 1sqs s TYR 203 Ca 0.15 1.02 -0.21 0.00 -0.37 0.00 0.00 57.07 57.67 1sqs s TYR 203 Cb 0.18 -3.19 -0.08 0.00 -0.40 0.00 0.00 41.96 38.47 1sqs s TYR 203 CO 0.62 -3.42 1.07 0.34 -1.57 0.00 0.00 175.55 172.60 1sqs s ASP 204 N -3.06 6.21 0.37 2.29 -1.08 -1.26 -4.91 116.67 115.23 1sqs s ASP 204 Ca 0.67 2.04 0.25 0.00 -0.52 0.00 0.00 52.55 54.99 1sqs s ASP 204 Cb -0.21 -2.57 1.36 0.00 -1.46 0.00 0.00 42.92 40.04 1sqs s ASP 204 CO 0.61 -0.88 1.77 0.77 0.52 0.00 0.00 175.17 177.96 1sqs h SER 205 N 1.61 0.00 -0.03 -0.34 4.64 -1.97 -0.24 113.55 117.22 1sqs h SER 205 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1sqs h SER 205 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1sqs h SER 205 CO 0.59 0.00 -0.01 -0.62 -0.87 0.00 0.00 176.83 175.92 1sqs n GLU 206 N -2.38 2.23 -2.21 4.77 1.02 -1.26 -4.94 120.64 117.87 1sqs n GLU 206 Ca -0.02 -1.79 -0.42 0.00 -0.02 0.00 0.00 57.16 54.91 1sqs n GLU 206 Cb 0.04 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 1sqs n GLU 206 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1sqs s HIS 207 N -2.01 3.06 0.21 -0.32 2.46 -0.10 -4.93 115.29 113.66 1sqs s HIS 207 Ca 0.29 0.90 -0.10 0.00 0.47 0.00 0.00 55.06 56.62 1sqs s HIS 207 Cb 0.20 -3.66 0.28 0.00 -0.13 0.00 0.00 32.58 29.27 1sqs s HIS 207 CO 0.31 -2.35 1.71 0.35 -2.47 0.00 0.00 174.74 172.28 1sqs h PHE 208 N 7.32 0.19 -0.46 3.88 3.04 -1.28 -2.27 116.94 127.35 1sqs h PHE 208 Ca -0.40 0.04 -0.11 0.00 3.98 0.00 0.00 57.97 61.47 1sqs h PHE 208 Cb 1.20 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.70 1sqs h PHE 208 CO 0.71 -0.03 -0.17 0.93 -2.02 0.00 0.00 178.31 177.73 1sqs h GLU 209 N 0.25 0.88 -1.44 1.11 5.08 -1.82 -1.54 114.58 117.10 1sqs h GLU 209 Ca 0.30 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1sqs h GLU 209 Cb 0.45 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1sqs h GLU 209 CO -0.39 0.98 0.00 1.17 -1.00 0.00 0.00 179.01 179.77 1sqs n LYS 210 N -4.13 0.30 0.00 2.33 4.81 -0.86 -1.29 118.16 119.32 1sqs n LYS 210 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1sqs n LYS 210 Cb 0.41 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.15 1sqs n LYS 210 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1sqs n TYR 212 N 0.76 0.00 -0.29 5.64 4.19 -0.58 -1.33 117.16 125.55 1sqs n TYR 212 Ca 0.00 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.19 1sqs n TYR 212 Cb 0.13 0.00 0.15 0.00 0.49 0.00 0.00 39.34 40.11 1sqs n TYR 212 CO 0.00 0.00 0.00 -1.49 0.91 0.00 0.00 176.86 176.28 1sqs h TRP 213 N 0.00 1.12 -0.34 2.98 4.06 -1.46 0.15 115.95 122.47 1sqs h TRP 213 Ca 0.00 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 1sqs h TRP 213 Cb 0.00 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 27.78 1sqs h TRP 213 CO 0.00 0.75 -0.09 0.93 -3.56 0.00 0.00 178.44 176.47 1sqs h GLU 214 N 1.17 0.66 -0.73 0.49 5.08 -1.47 0.11 114.58 119.89 1sqs h GLU 214 Ca 0.30 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1sqs h GLU 214 Cb -0.03 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1sqs h GLU 214 CO -0.06 0.83 0.25 -0.22 -1.00 0.00 0.00 179.01 178.82 1sqs h LYS 215 N 0.44 1.12 -0.00 2.33 3.64 -1.72 -2.53 116.57 119.85 1sqs h LYS 215 Ca 0.08 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1sqs h LYS 215 Cb 0.60 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1sqs h LYS 215 CO 0.04 0.94 -0.09 1.63 -2.27 0.00 0.00 179.45 179.70 1sqs n LYS 216 N -4.30 0.82 -2.85 1.90 4.76 0.00 -4.93 118.16 113.56 1sqs n LYS 216 Ca 0.06 -0.28 -0.18 0.00 -2.87 0.00 0.00 58.31 55.04 1sqs n LYS 216 Cb 0.21 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.93 1sqs n LYS 216 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1sqs n ARG 217 N -0.84 -3.87 0.20 1.97 1.74 -0.25 -4.91 116.66 110.69 1sqs n ARG 217 Ca 0.16 0.73 0.08 0.00 -0.77 0.00 0.00 57.85 58.05 1sqs n ARG 217 Cb 0.27 -5.21 0.31 0.00 -1.02 0.00 0.00 32.46 26.81 1sqs n ARG 217 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1sqs h LEU 218 N -1.09 0.00 -0.19 0.55 3.38 -1.14 -3.27 115.31 113.54 1sqs h LEU 218 Ca -0.42 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.41 1sqs h LEU 218 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1sqs h LEU 218 CO 0.45 0.29 -0.40 -0.26 0.09 0.00 0.00 178.44 178.61 1sqs h PHE 219 N 0.00 0.77 -0.16 1.13 0.04 -1.92 -3.31 116.94 113.50 1sqs h PHE 219 Ca -0.00 -0.28 -0.07 0.00 2.80 0.00 0.00 57.97 60.41 1sqs h PHE 219 Cb 0.95 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.94 1sqs h PHE 219 CO 0.00 1.04 -0.22 0.93 -0.60 0.00 0.00 178.31 179.46 1sqs h GLU 220 N 0.29 0.28 -7.22 1.51 3.07 -1.91 -3.45 114.58 107.14 1sqs h GLU 220 Ca 0.01 -0.09 -0.53 0.00 -0.50 0.00 0.00 59.36 58.25 1sqs h GLU 220 Cb 1.00 -0.03 0.18 0.00 -0.84 0.00 0.00 28.75 29.06 1sqs h GLU 220 CO 0.09 0.49 0.33 0.00 -1.40 0.00 0.00 179.01 178.51 1sqs s ALA 221 N -4.54 1.85 -0.20 3.43 0.00 -1.24 -4.95 121.76 116.11 1sqs s ALA 221 Ca -0.05 0.76 0.20 0.00 0.00 0.00 0.00 51.96 52.87 1sqs s ALA 221 Cb 0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1sqs s ALA 221 CO 0.75 -2.27 1.01 -0.91 0.00 0.00 0.00 175.76 174.34 1sqs h ASN 222 N -0.98 0.00 -5.07 0.00 2.35 -1.91 -3.48 115.58 106.49 1sqs h ASN 222 Ca -0.46 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1sqs h ASN 222 Cb 1.29 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.57 1sqs h ASN 222 CO 0.46 0.23 0.09 -0.94 -1.65 0.00 0.00 177.43 175.63 1sqs s SER 223 N -5.60 -0.29 0.15 5.81 1.04 -1.26 -5.03 113.70 108.53 1sqs s SER 223 Ca -0.01 -0.48 -0.11 0.00 0.48 0.00 0.00 55.95 55.83 1sqs s SER 223 Cb 0.09 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.85 1sqs s SER 223 CO 0.79 -1.12 1.59 0.25 0.98 0.00 0.00 173.24 175.73 1sqs h LEU 224 N 2.13 0.92 -0.49 2.42 5.85 -1.93 -0.81 115.31 123.41 1sqs h LEU 224 Ca -0.27 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.06 1sqs h LEU 224 Cb 1.26 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1sqs h LEU 224 CO 0.34 1.04 0.07 -0.08 -0.34 0.00 0.00 178.44 179.46 1sqs h GLU 225 N 0.79 0.82 -0.45 1.25 4.81 -1.97 -1.54 114.58 118.28 1sqs h GLU 225 Ca 0.14 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1sqs h GLU 225 Cb 0.60 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1sqs h GLU 225 CO 0.04 0.83 0.21 1.49 -0.73 0.00 0.00 179.01 180.85 1sqs h GLU 226 N 0.69 0.66 -0.55 1.92 4.81 -1.94 -2.64 114.58 117.52 1sqs h GLU 226 Ca 0.15 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1sqs h GLU 226 Cb 0.41 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 1sqs h GLU 226 CO 0.01 0.56 0.18 2.35 -0.73 0.00 0.00 179.01 181.39 1sqs h TRP 227 N 0.59 0.31 -0.68 0.92 7.01 -0.86 0.30 115.95 123.53 1sqs h TRP 227 Ca 0.16 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1sqs h TRP 227 Cb 0.13 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.09 1sqs h TRP 227 CO -0.01 0.07 0.43 -0.92 -2.79 0.00 0.00 178.44 175.22 1sqs h TYR 228 N 0.35 0.80 0.00 2.65 3.20 -0.95 0.32 116.97 123.34 1sqs h TYR 228 Ca 0.27 0.02 -0.25 0.00 3.14 0.00 0.00 58.73 61.92 1sqs h TYR 228 Cb 0.33 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1sqs h TYR 228 CO -0.18 0.45 -1.39 1.88 -1.64 0.00 0.00 178.16 177.28 1sqs h TYR 229 N 0.83 0.00 0.12 -3.82 -1.99 -1.11 -3.29 116.97 107.71 1sqs h TYR 229 Ca 0.28 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.69 1sqs h TYR 229 Cb 0.02 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 1sqs h TYR 229 CO -0.05 0.97 -1.58 0.28 -0.00 0.00 0.00 178.16 177.79 1sqs h VAL 230 N 0.00 1.10 -1.98 -2.88 2.07 -0.38 -3.43 116.25 110.74 1sqs h VAL 230 Ca -0.17 -2.74 -0.43 0.00 0.82 0.00 0.00 66.70 64.18 1sqs h VAL 230 Cb 1.89 2.74 -0.32 0.00 -1.52 0.00 0.00 31.29 34.08 1sqs h VAL 230 CO 0.10 0.81 -0.78 -1.83 0.02 0.00 0.00 177.57 175.89 1sqs s GLU 231 N -2.61 0.82 0.00 1.57 -1.05 0.09 -5.06 118.70 112.46 1sqs s GLU 231 Ca -0.10 -1.45 0.00 0.00 -0.15 0.00 0.00 54.97 53.27 1sqs s GLU 231 Cb 0.07 -0.92 0.00 0.00 -0.44 0.00 0.00 34.13 32.84 1sqs s GLU 231 CO 0.85 -1.30 0.00 -1.71 0.95 0.00 0.00 175.26 174.05