#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqk s ASP 11 N 0.00 5.45 0.36 -2.13 -4.77 -1.26 -4.99 116.67 109.33 1rqk s ASP 11 Ca 0.00 -0.55 0.06 0.00 -3.30 0.00 0.00 52.55 48.76 1rqk s ASP 11 Cb 0.00 -0.54 0.67 0.00 -1.09 0.00 0.00 42.92 41.96 1rqk s ASP 11 CO 0.00 -0.79 1.90 0.25 0.70 0.00 0.00 175.17 177.23 1rqk h LEU 12 N 0.70 0.43 -0.29 2.11 5.85 -2.05 -1.07 115.31 120.99 1rqk h LEU 12 Ca -0.39 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.16 1rqk h LEU 12 Cb 1.28 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1rqk h LEU 12 CO 0.48 0.50 -0.16 0.00 -0.34 0.00 0.00 178.44 178.92 1rqk h ALA 13 N 1.56 0.41 0.00 1.25 0.00 -1.98 -0.25 119.26 120.24 1rqk h ALA 13 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1rqk h ALA 13 Cb 0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1rqk h ALA 13 CO 0.01 0.31 -0.11 0.66 0.00 0.00 0.00 179.25 180.12 1rqk h SER 14 N 0.36 0.00 -0.26 0.00 4.64 -1.89 -0.41 113.55 116.00 1rqk h SER 14 Ca 0.06 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 1rqk h SER 14 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1rqk h SER 14 CO 0.05 0.11 -0.17 0.25 -0.87 0.00 0.00 176.83 176.20 1rqk h LEU 15 N 0.00 0.60 -0.45 5.97 7.12 -0.99 -2.77 115.31 124.79 1rqk h LEU 15 Ca -0.00 -0.44 -0.02 0.00 0.13 0.00 0.00 57.88 57.55 1rqk h LEU 15 Cb 0.61 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 1rqk h LEU 15 CO 0.01 0.90 0.19 0.00 -0.13 0.00 0.00 178.44 179.42 1rqk h ALA 16 N 0.71 0.58 -0.07 1.25 0.00 -0.45 -2.21 119.26 119.07 1rqk h ALA 16 Ca 0.05 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1rqk h ALA 16 Cb 0.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1rqk h ALA 16 CO 0.05 0.18 -0.73 0.97 0.00 0.00 0.00 179.25 179.71 1rqk h ILE 17 N 0.58 1.39 -0.16 0.00 6.09 -1.14 -1.65 117.51 122.62 1rqk h ILE 17 Ca 0.15 -2.16 -0.16 0.00 -1.37 0.00 0.00 64.86 61.32 1rqk h ILE 17 Cb 0.17 2.13 0.01 0.00 0.47 0.00 0.00 36.82 39.60 1rqk h ILE 17 CO -0.01 0.65 -0.52 0.22 -3.07 0.00 0.00 178.15 175.41 1rqk h TYR 18 N 0.26 0.83 -0.69 2.19 3.20 -1.50 -2.46 116.97 118.79 1rqk h TYR 18 Ca -0.03 -0.34 0.07 0.00 3.14 0.00 0.00 58.73 61.57 1rqk h TYR 18 Cb 1.31 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.38 1rqk h TYR 18 CO 0.04 1.13 0.37 0.77 -1.64 0.00 0.00 178.16 178.82 1rqk h SER 19 N 0.30 0.52 -0.29 -2.11 0.02 -1.39 -2.81 113.55 107.79 1rqk h SER 19 Ca -0.02 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1rqk h SER 19 Cb 1.15 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 1rqk h SER 19 CO 0.11 0.32 0.19 0.15 -1.14 0.00 0.00 176.83 176.46 1rqk h PHE 20 N 0.65 0.37 -0.78 3.45 3.57 -1.10 -0.94 116.94 122.16 1rqk h PHE 20 Ca 0.32 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.87 1rqk h PHE 20 Cb 0.26 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1rqk h PHE 20 CO -0.09 0.24 0.51 -1.49 -2.23 0.00 0.00 178.31 175.26 1rqk h TRP 21 N 0.39 0.91 0.00 0.41 4.06 -1.33 0.89 115.95 121.29 1rqk h TRP 21 Ca 0.11 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.08 1rqk h TRP 21 Cb -0.03 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 27.82 1rqk h TRP 21 CO -0.05 0.53 -0.00 0.82 -3.56 0.00 0.00 178.44 176.17 1rqk h ILE 22 N 0.94 1.16 -0.41 1.49 2.04 -1.21 -2.42 117.51 119.10 1rqk h ILE 22 Ca 0.31 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.77 1rqk h ILE 22 Cb 0.07 1.49 -0.08 0.00 -0.74 0.00 0.00 36.82 37.56 1rqk h ILE 22 CO -0.09 0.13 -0.09 0.15 0.00 0.00 0.00 178.15 178.24 1rqk h PHE 23 N -0.21 -0.20 -0.40 1.37 3.57 -0.50 -1.99 116.94 118.58 1rqk h PHE 23 Ca -0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1rqk h PHE 23 Cb 0.21 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1rqk h PHE 23 CO -0.01 -0.17 0.23 1.25 -2.23 0.00 0.00 178.31 177.38 1rqk h LEU 24 N 0.01 0.47 -0.41 0.59 5.85 -0.77 -1.78 115.31 119.26 1rqk h LEU 24 Ca 0.20 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 1rqk h LEU 24 Cb 0.30 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1rqk h LEU 24 CO -0.42 0.37 -0.12 0.00 -0.34 0.00 0.00 178.44 177.94 1rqk h ALA 25 N 1.71 0.57 -0.22 1.25 0.00 -0.86 -1.62 119.26 120.09 1rqk h ALA 25 Ca 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1rqk h ALA 25 Cb -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1rqk h ALA 25 CO -0.03 0.46 -0.13 0.78 0.00 0.00 0.00 179.25 180.33 1rqk h GLY 26 N 0.62 0.39 0.91 0.00 0.00 -1.02 -2.03 103.07 101.95 1rqk h GLY 26 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1rqk h GLY 26 CO 0.04 0.24 -0.11 -2.00 0.00 0.00 0.00 176.54 174.72 1rqk h LEU 27 N 0.34 -0.25 -0.77 3.11 5.85 -1.14 0.19 115.31 122.64 1rqk h LEU 27 Ca 0.07 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1rqk h LEU 27 Cb 0.44 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1rqk h LEU 27 CO 0.03 -0.10 0.47 0.40 -0.34 0.00 0.00 178.44 178.89 1rqk h ILE 28 N -0.39 1.03 -0.05 4.05 2.04 -1.18 0.21 117.51 123.23 1rqk h ILE 28 Ca -0.03 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.57 1rqk h ILE 28 Cb 0.30 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 1rqk h ILE 28 CO 0.05 0.16 -0.30 0.22 0.00 0.00 0.00 178.15 178.27 1rqk h TYR 29 N 0.87 -0.83 0.32 1.37 3.20 -1.12 0.10 116.97 120.88 1rqk h TYR 29 Ca 0.33 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 1rqk h TYR 29 Cb 0.14 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1rqk h TYR 29 CO -0.05 -0.39 -0.21 -0.92 -1.64 0.00 0.00 178.16 174.95 1rqk h TYR 30 N -0.42 -0.56 -0.72 -3.82 3.20 0.05 -1.90 116.97 112.79 1rqk h TYR 30 Ca 0.08 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.07 1rqk h TYR 30 Cb 0.53 0.20 -0.09 0.00 1.54 0.00 0.00 36.73 38.92 1rqk h TYR 30 CO -0.35 -0.33 0.29 -0.07 -1.64 0.00 0.00 178.16 176.06 1rqk h LEU 31 N -0.52 0.29 -0.34 2.82 3.38 -0.47 -1.43 115.31 119.03 1rqk h LEU 31 Ca -0.03 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1rqk h LEU 31 Cb 0.44 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1rqk h LEU 31 CO 0.02 0.13 -0.16 -0.61 0.09 0.00 0.00 178.44 177.91 1rqk h GLN 32 N 0.45 0.70 -0.19 1.13 5.75 -0.50 -2.55 115.11 119.90 1rqk h GLN 32 Ca 0.39 -0.30 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 1rqk h GLN 32 Cb 0.55 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1rqk h GLN 32 CO -0.37 0.90 -0.28 1.79 -2.65 0.00 0.00 178.83 178.22 1rqk h THR 33 N 0.47 1.26 -0.10 2.39 1.35 -1.06 -1.78 112.91 115.44 1rqk h THR 33 Ca 0.08 -1.25 -0.01 0.00 -0.55 0.00 0.00 66.41 64.67 1rqk h THR 33 Cb 0.69 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1rqk h THR 33 CO 0.05 0.39 0.00 -0.33 -0.25 0.00 0.00 175.52 175.38 1rqk h GLU 34 N 0.32 0.14 -0.25 4.72 4.39 -1.12 -2.54 114.58 120.24 1rqk h GLU 34 Ca 0.05 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1rqk h GLU 34 Cb 0.66 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1rqk h GLU 34 CO 0.05 0.16 0.00 0.09 -1.16 0.00 0.00 179.01 178.15 1rqk n ASN 35 N -4.45 1.59 -1.50 1.42 3.02 -0.68 -3.53 115.26 111.13 1rqk n ASN 35 Ca -0.01 -1.87 0.08 0.00 -0.03 0.00 0.00 54.58 52.75 1rqk n ASN 35 Cb 0.14 -0.16 0.34 0.00 -0.61 0.00 0.00 39.78 39.49 1rqk n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1rqk n MET 36 N 0.33 3.97 0.07 3.52 2.81 -0.95 -4.58 117.12 122.28 1rqk n MET 36 Ca 0.13 -2.94 0.13 0.00 -1.81 0.00 0.00 57.70 53.20 1rqk n MET 36 Cb 0.28 -1.99 0.32 0.00 -0.71 0.00 0.00 33.22 31.12 1rqk n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1rqk n ARG 37 N 0.53 0.22 -4.35 0.03 1.74 -1.23 -4.46 116.66 109.14 1rqk n ARG 37 Ca 0.25 0.12 -0.27 0.00 -0.77 0.00 0.00 57.85 57.19 1rqk n ARG 37 Cb 0.99 -1.70 -0.13 0.00 -1.02 0.00 0.00 32.46 30.60 1rqk n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1rqk s GLU 38 N -3.11 1.30 0.00 5.56 0.41 -1.26 -4.14 118.70 117.46 1rqk s GLU 38 Ca 0.09 -1.29 0.00 0.00 -0.41 0.00 0.00 54.97 53.36 1rqk s GLU 38 Cb 0.14 -1.67 0.00 0.00 -1.78 0.00 0.00 34.13 30.82 1rqk s GLU 38 CO 0.65 0.39 0.00 0.41 -0.49 0.00 0.00 175.26 176.22 1rqk n GLY 39 N 0.90 2.06 3.71 -1.39 0.00 -1.26 -5.02 105.19 104.19 1rqk n GLY 39 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1rqk n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rqk s TYR 40 N -2.37 2.77 0.70 1.61 1.51 -1.26 -4.25 117.35 116.05 1rqk s TYR 40 Ca 0.00 -0.27 -0.16 0.00 -1.01 0.00 0.00 57.07 55.62 1rqk s TYR 40 Cb 0.00 -1.42 -0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1rqk s TYR 40 CO 0.00 0.48 0.77 -2.30 -1.11 0.00 0.00 175.55 173.39 1rqk n PRO 41 N -1.06 0.48 -1.63 -1.71 -0.02 -1.26 -4.87 135.00 124.93 1rqk n PRO 41 Ca -0.05 0.21 -0.39 0.00 -2.02 0.00 0.00 63.50 61.25 1rqk n PRO 41 Cb 0.60 -2.03 0.04 0.00 -0.02 0.00 0.00 33.50 32.09 1rqk n PRO 41 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rqk n LEU 42 N -0.90 3.61 -4.40 2.45 4.77 -1.26 -4.96 117.00 116.32 1rqk n LEU 42 Ca 0.12 0.88 -0.21 0.00 -0.03 0.00 0.00 56.01 56.77 1rqk n LEU 42 Cb 0.49 -1.40 -0.10 0.00 -2.33 0.00 0.00 43.42 40.08 1rqk n LEU 42 CO 0.49 -1.64 -0.45 -1.61 -1.33 0.00 0.00 177.39 172.85 1rqk s GLU 43 N -2.59 1.47 0.88 3.23 2.02 -1.26 -2.00 118.70 120.44 1rqk s GLU 43 Ca 0.72 -1.67 -0.12 0.00 0.02 0.00 0.00 54.97 53.92 1rqk s GLU 43 Cb -0.45 -1.36 0.12 0.00 0.10 0.00 0.00 34.13 32.54 1rqk s GLU 43 CO 0.50 0.23 1.12 -0.80 0.02 0.00 0.00 175.26 176.33 1rqk s ASN 44 N -3.39 3.76 0.59 -0.19 0.01 0.55 -4.68 114.94 111.59 1rqk s ASN 44 Ca 0.26 1.09 0.34 0.00 -0.71 0.00 0.00 52.86 53.83 1rqk s ASN 44 Cb -0.02 -1.71 1.83 0.00 0.41 0.00 0.00 41.25 41.76 1rqk s ASN 44 CO 0.10 -2.41 2.20 -0.33 -1.51 0.00 0.00 177.10 175.15 1rqk h GLU 45 N -1.39 0.00 -0.18 -0.60 5.08 -2.02 -0.18 114.58 115.28 1rqk h GLU 45 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1rqk h GLU 45 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1rqk h GLU 45 CO 0.61 0.04 0.00 -0.40 -1.00 0.00 0.00 179.01 178.26 1rqk n ASP 46 N -3.46 1.26 0.00 1.42 5.68 -1.26 -4.92 116.55 115.27 1rqk n ASP 46 Ca -0.02 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 1rqk n ASP 46 Cb 0.16 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1rqk n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rqk n GLY 47 N 0.97 1.51 3.88 6.12 0.00 -0.08 -5.05 105.19 112.54 1rqk n GLY 47 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1rqk n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rqk s THR 48 N -2.98 4.02 0.16 2.61 -4.23 -1.26 -4.75 115.64 109.22 1rqk s THR 48 Ca 0.00 0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 60.85 1rqk s THR 48 Cb 0.00 -3.65 -0.07 0.00 1.34 0.00 0.00 72.50 70.12 1rqk s THR 48 CO 0.00 -0.85 1.17 -2.84 -0.54 0.00 0.00 174.62 171.56 1rqk s PRO 49 N -5.27 4.51 0.53 3.99 0.02 -1.26 -0.33 135.00 137.18 1rqk s PRO 49 Ca 0.57 1.82 -0.17 0.00 0.02 0.00 0.00 61.00 63.23 1rqk s PRO 49 Cb -0.11 -3.27 -0.07 0.00 0.02 0.00 0.00 34.50 31.07 1rqk s PRO 49 CO 0.53 -0.08 1.01 0.00 -0.33 0.00 0.00 177.00 178.13 1rqk s ALA 50 N 0.10 2.95 0.03 -1.55 0.00 -0.85 -4.69 121.76 117.76 1rqk s ALA 50 Ca 0.53 0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 1rqk s ALA 50 Cb -0.31 -3.17 -0.15 0.00 0.00 0.00 0.00 23.12 19.49 1rqk s ALA 50 CO 0.35 -0.37 1.34 0.00 0.00 0.00 0.00 175.76 177.07 1rqk h ALA 51 N 0.94 0.18 -2.61 0.00 0.00 -1.94 -3.39 119.26 112.44 1rqk h ALA 51 Ca -0.47 -0.31 -0.75 0.00 0.00 0.00 0.00 54.91 53.38 1rqk h ALA 51 Cb 1.20 -0.04 -0.28 0.00 0.00 0.00 0.00 17.79 18.67 1rqk h ALA 51 CO 0.60 0.04 -0.22 1.21 0.00 0.00 0.00 179.25 180.87 1rqk s ASN 52 N -6.05 6.03 0.00 0.00 3.84 -1.26 -4.89 114.94 112.60 1rqk s ASN 52 Ca -0.14 -2.20 0.29 0.00 0.21 0.00 0.00 52.86 51.02 1rqk s ASN 52 Cb 0.05 -2.09 1.29 0.00 -0.55 0.00 0.00 41.25 39.95 1rqk s ASN 52 CO 0.74 -0.66 1.91 0.00 -2.79 0.00 0.00 177.10 176.30 1rqk n GLN 53 N 4.58 0.48 0.00 0.43 1.13 -1.26 -5.01 117.38 117.73 1rqk n GLN 53 Ca -0.02 -0.11 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 1rqk n GLN 53 Cb 0.42 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.27 1rqk n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rqk n GLY 54 N 1.32 -3.65 0.12 1.08 0.00 -1.26 -4.74 105.19 98.07 1rqk n GLY 54 Ca 0.13 -1.96 0.08 0.00 0.00 0.00 0.00 46.02 44.27 1rqk n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rqk h PRO 55 N 0.00 0.00 -6.09 1.61 0.13 -2.04 -3.45 132.00 122.16 1rqk h PRO 55 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1rqk h PRO 55 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1rqk h PRO 55 CO 0.00 0.09 0.01 -0.06 -0.23 0.00 0.00 178.00 177.82 1rqk s PHE 56 N -3.22 3.67 0.59 1.56 0.08 -1.26 -5.08 117.98 114.31 1rqk s PHE 56 Ca 0.00 1.22 -0.07 0.00 0.12 0.00 0.00 56.93 58.20 1rqk s PHE 56 Cb 0.09 -2.65 -0.01 0.00 -0.57 0.00 0.00 43.02 39.88 1rqk s PHE 56 CO 0.78 0.30 0.92 -1.25 -0.10 0.00 0.00 175.22 175.87 1rqk s PRO 57 N -0.02 3.15 0.40 0.24 0.04 -1.26 -5.04 135.00 132.51 1rqk s PRO 57 Ca 0.32 0.22 -0.25 0.00 0.04 0.00 0.00 61.00 61.33 1rqk s PRO 57 Cb -0.18 -2.23 -0.08 0.00 0.04 0.00 0.00 34.50 32.04 1rqk s PRO 57 CO 0.18 -0.62 1.22 -0.51 0.04 0.00 0.00 177.00 177.31 1rqk s LEU 58 N -5.02 4.20 0.65 -3.56 1.43 -1.26 -4.83 118.68 110.29 1rqk s LEU 58 Ca 0.53 2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 55.98 1rqk s LEU 58 Cb -0.11 -3.98 -0.01 0.00 0.03 0.00 0.00 46.19 42.13 1rqk s LEU 58 CO 0.47 -0.75 1.05 -2.16 0.23 0.00 0.00 176.35 175.19 1rqk s PRO 59 N -2.27 3.16 0.37 1.29 0.04 -1.26 -5.00 135.00 131.33 1rqk s PRO 59 Ca 0.57 0.98 -0.28 0.00 0.04 0.00 0.00 61.00 62.31 1rqk s PRO 59 Cb -0.34 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.08 1rqk s PRO 59 CO 0.43 -0.92 1.44 0.15 0.04 0.00 0.00 177.00 178.13 1rqk s LYS 60 N -4.81 4.16 0.50 4.56 1.02 -1.26 -4.64 119.74 119.27 1rqk s LYS 60 Ca 0.59 2.47 -0.23 0.00 0.02 0.00 0.00 55.97 58.82 1rqk s LYS 60 Cb -0.14 -2.98 -0.06 0.00 -0.52 0.00 0.00 37.83 34.13 1rqk s LYS 60 CO 0.50 -0.45 1.28 -2.14 -0.92 0.00 0.00 175.35 173.62 1rqk s PRO 61 N -2.03 3.44 0.18 -1.68 0.02 -1.26 -4.75 135.00 128.92 1rqk s PRO 61 Ca 0.52 2.06 0.11 0.00 0.02 0.00 0.00 61.00 63.70 1rqk s PRO 61 Cb -0.45 -2.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 1rqk s PRO 61 CO 0.60 -0.89 -0.20 -1.59 -0.33 0.00 0.00 177.00 174.59 1rqk s LYS 62 N -2.78 1.67 -0.15 5.54 -2.85 -0.40 -4.94 119.74 115.84 1rqk s LYS 62 Ca 0.67 -1.43 0.02 0.00 -1.00 0.00 0.00 55.97 54.23 1rqk s LYS 62 Cb -0.36 -1.94 0.01 0.00 -2.06 0.00 0.00 37.83 33.48 1rqk s LYS 62 CO 0.43 0.42 -0.20 0.99 0.10 0.00 0.00 175.35 177.09 1rqk s THR 63 N -1.63 2.22 0.01 3.79 2.01 -1.26 -1.40 115.64 119.39 1rqk s THR 63 Ca 0.21 -0.91 -0.16 0.00 0.31 0.00 0.00 61.69 61.14 1rqk s THR 63 Cb -0.08 -1.91 -0.06 0.00 0.01 0.00 0.00 72.50 70.46 1rqk s THR 63 CO 0.11 0.54 0.46 -0.36 -0.69 0.00 0.00 174.62 174.67 1rqk s PHE 64 N 0.92 3.73 -0.38 4.92 0.08 0.19 -4.89 117.98 122.55 1rqk s PHE 64 Ca -0.04 1.06 -0.17 0.00 0.12 0.00 0.00 56.93 57.90 1rqk s PHE 64 Cb -0.15 -2.37 0.01 0.00 -0.57 0.00 0.00 43.02 39.94 1rqk s PHE 64 CO -0.04 0.58 0.43 0.42 -0.10 0.00 0.00 175.22 176.52 1rqk s ILE 65 N -0.92 5.09 0.32 0.64 1.01 -1.26 -1.35 121.20 124.74 1rqk s ILE 65 Ca 0.25 -0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.59 1rqk s ILE 65 Cb -0.17 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 1rqk s ILE 65 CO 0.15 -0.28 0.91 -0.76 0.00 0.00 0.00 174.94 174.96 1rqk s LEU 66 N 2.17 4.28 0.81 2.97 1.43 -0.16 -5.00 118.68 125.18 1rqk s LEU 66 Ca 0.14 1.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.87 1rqk s LEU 66 Cb -0.16 -4.03 0.08 0.00 0.03 0.00 0.00 46.19 42.10 1rqk s LEU 66 CO 0.13 -0.10 1.12 -2.16 0.23 0.00 0.00 176.35 175.57 1rqk s PRO 67 N -2.22 1.95 -1.00 1.29 0.04 -1.26 -4.18 135.00 129.63 1rqk s PRO 67 Ca 0.51 0.47 -0.04 0.00 0.04 0.00 0.00 61.00 61.98 1rqk s PRO 67 Cb -0.17 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1rqk s PRO 67 CO 0.22 -1.67 0.53 0.72 0.04 0.00 0.00 177.00 176.83 1rqk n HIS 68 N -3.44 -1.50 -0.92 0.56 8.25 -1.26 -2.92 115.22 113.99 1rqk n HIS 68 Ca 0.07 0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 1rqk n HIS 68 Cb 0.58 -3.45 0.00 0.00 1.12 0.00 0.00 29.99 28.24 1rqk n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rqk n GLY 69 N -1.34 0.65 0.15 -1.41 0.00 -1.26 -4.89 105.19 97.07 1rqk n GLY 69 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1rqk n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rqk n ARG 70 N -2.02 1.16 0.00 1.61 3.00 -1.15 -5.00 116.66 114.27 1rqk n ARG 70 Ca 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 57.85 57.60 1rqk n ARG 70 Cb 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.42 1rqk n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rqk n GLY 71 N 0.58 0.41 3.23 -0.13 0.00 -1.26 -4.84 105.19 103.18 1rqk n GLY 71 Ca 0.02 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1rqk n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rqk s THR 72 N 0.00 0.69 -0.04 2.61 -4.23 -1.26 -0.99 115.64 112.41 1rqk s THR 72 Ca 0.00 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 1rqk s THR 72 Cb 0.00 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.82 1rqk s THR 72 CO 0.00 -0.56 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.19 1rqk s LEU 73 N -3.15 1.71 -0.15 4.79 2.96 -0.45 -4.92 118.68 119.47 1rqk s LEU 73 Ca 0.21 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1rqk s LEU 73 Cb 0.06 -0.71 0.02 0.00 0.50 0.00 0.00 46.19 46.05 1rqk s LEU 73 CO 0.02 0.06 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.02 1rqk s THR 74 N 0.41 1.91 -0.02 3.68 2.01 -1.26 0.57 115.64 122.94 1rqk s THR 74 Ca -0.08 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1rqk s THR 74 Cb -0.12 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.69 1rqk s THR 74 CO 0.02 0.52 0.00 0.68 -0.69 0.00 0.00 174.62 175.15 1rqk s VAL 75 N 1.06 0.15 0.54 3.82 -7.23 -0.49 -3.59 120.40 114.66 1rqk s VAL 75 Ca -0.02 0.08 -0.15 0.00 -1.81 0.00 0.00 61.98 60.07 1rqk s VAL 75 Cb -0.14 -0.24 -0.07 0.00 0.56 0.00 0.00 36.38 36.49 1rqk s VAL 75 CO -0.06 0.13 1.00 -2.16 -0.31 0.00 0.00 175.10 173.69 1rqk s PRO 76 N 0.89 3.87 0.34 4.82 0.05 -1.26 -1.27 135.00 142.43 1rqk s PRO 76 Ca -0.09 0.91 -0.04 0.00 0.05 0.00 0.00 61.00 61.84 1rqk s PRO 76 Cb -0.12 -2.12 0.00 0.00 0.05 0.00 0.00 34.50 32.31 1rqk s PRO 76 CO -0.02 -0.34 0.48 0.20 0.05 0.00 0.00 177.00 177.37 1rqk s GLY 77 N -3.32 1.39 -0.20 0.56 0.00 -1.24 -4.80 107.32 99.72 1rqk s GLY 77 Ca 0.58 -1.45 -0.36 0.00 0.00 0.00 0.00 44.72 43.48 1rqk s GLY 77 CO 0.36 -0.96 1.88 -1.05 0.00 0.00 0.00 173.10 173.34 1rqk n PRO 78 N -0.54 1.67 -3.25 2.90 -0.02 -1.26 -4.98 135.00 129.51 1rqk n PRO 78 Ca 0.00 0.60 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 1rqk n PRO 78 Cb 0.62 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 1rqk n PRO 78 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1rqk s GLU 79 N 4.22 4.17 -0.30 -0.52 0.41 -1.26 -5.07 118.70 120.36 1rqk s GLU 79 Ca 0.97 0.72 -0.15 0.00 -0.41 0.00 0.00 54.97 56.10 1rqk s GLU 79 Cb -0.84 -3.12 0.16 0.00 -1.78 0.00 0.00 34.13 28.55 1rqk s GLU 79 CO 0.56 0.56 0.99 0.45 -0.49 0.00 0.00 175.26 177.34 1rqk s SER 80 N -1.34 -0.54 0.46 -0.19 0.15 -1.26 -5.03 113.70 105.96 1rqk s SER 80 Ca 0.33 0.78 0.15 0.00 0.70 0.00 0.00 55.95 57.91 1rqk s SER 80 Cb -0.18 1.47 1.10 0.00 -1.71 0.00 0.00 66.02 66.70 1rqk s SER 80 CO 0.20 -0.11 2.03 -0.33 1.20 0.00 0.00 173.24 176.22 1rqk h GLU 81 N 6.90 0.29 -4.47 5.44 4.39 -2.01 -3.46 114.58 121.65 1rqk h GLU 81 Ca -0.21 -0.02 -0.39 0.00 0.34 0.00 0.00 59.36 59.09 1rqk h GLU 81 Cb 1.15 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1rqk h GLU 81 CO 0.13 0.19 -0.56 -0.25 -1.16 0.00 0.00 179.01 177.36 1rqk n ASP 82 N -4.47 -5.36 -3.52 1.42 8.00 -1.26 -4.55 116.55 106.82 1rqk n ASP 82 Ca 0.06 -0.24 -0.12 0.00 0.71 0.00 0.00 54.79 55.21 1rqk n ASP 82 Cb 0.30 -4.38 -0.04 0.00 -0.02 0.00 0.00 41.12 36.99 1rqk n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rqk s ARG 83 N -5.64 0.88 0.30 -1.24 1.70 -1.26 -4.94 118.95 108.74 1rqk s ARG 83 Ca 0.26 -0.07 -0.28 0.00 -0.47 0.00 0.00 55.73 55.17 1rqk s ARG 83 Cb -0.12 0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 34.57 1rqk s ARG 83 CO 0.32 -0.33 1.01 -1.25 -1.08 0.00 0.00 175.30 173.97 1rqk s PRO 84 N -2.20 4.62 -0.27 3.89 0.04 -1.26 -5.04 135.00 134.77 1rqk s PRO 84 Ca -0.01 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 1rqk s PRO 84 Cb -0.01 -3.03 0.04 0.00 0.04 0.00 0.00 34.50 31.55 1rqk s PRO 84 CO -0.02 0.26 -0.03 0.42 0.04 0.00 0.00 177.00 177.67 1rqk s ILE 85 N -1.35 2.91 -1.35 0.56 1.09 -1.26 -5.03 121.20 116.76 1rqk s ILE 85 Ca 0.47 -1.22 -0.16 0.00 -1.10 0.00 0.00 60.65 58.64 1rqk s ILE 85 Cb -0.26 -2.58 0.07 0.00 -1.06 0.00 0.00 42.46 38.64 1rqk s ILE 85 CO 0.32 0.04 1.91 0.00 -0.10 0.00 0.00 174.94 177.12 1rqk n ALA 86 N 4.64 4.44 -2.62 9.38 0.00 -1.26 -4.90 120.51 130.19 1rqk n ALA 86 Ca -0.15 -3.92 -0.11 0.00 0.00 0.00 0.00 53.44 49.26 1rqk n ALA 86 Cb 0.45 -3.51 -0.11 0.00 0.00 0.00 0.00 19.45 16.29 1rqk n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rqk s LEU 87 N 3.00 2.34 0.07 0.00 1.43 -1.26 -2.35 118.68 121.92 1rqk s LEU 87 Ca 0.50 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1rqk s LEU 87 Cb 0.08 -0.06 -0.03 0.00 0.03 0.00 0.00 46.19 46.20 1rqk s LEU 87 CO 0.01 -0.33 -0.06 0.00 0.23 0.00 0.00 176.35 176.19 1rqk s ALA 88 N -2.24 0.73 0.62 4.21 0.00 -0.06 -4.86 121.76 120.16 1rqk s ALA 88 Ca -0.03 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.67 1rqk s ALA 88 Cb -0.04 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1rqk s ALA 88 CO -0.02 -0.17 1.13 1.03 0.00 0.00 0.00 175.76 177.73 1rqk s ARG 89 N -2.92 2.94 0.00 0.00 0.52 -1.26 -0.66 118.95 117.56 1rqk s ARG 89 Ca 0.02 1.53 0.07 0.00 -0.52 0.00 0.00 55.73 56.83 1rqk s ARG 89 Cb -0.01 -1.96 -0.02 0.00 0.52 0.00 0.00 34.95 33.48 1rqk s ARG 89 CO -0.03 -1.16 0.47 0.25 0.02 0.00 0.00 175.30 174.85 1rqk n THR 90 N -2.01 0.00 -4.30 0.02 -2.24 -1.18 -4.73 114.28 99.83 1rqk n THR 90 Ca 0.11 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.34 1rqk n THR 90 Cb 0.51 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 1rqk n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rqk s ALA 91 N -1.29 1.64 -2.05 6.98 0.00 -1.26 -5.04 121.76 120.74 1rqk s ALA 91 Ca 0.05 -1.77 0.16 0.00 0.00 0.00 0.00 51.96 50.41 1rqk s ALA 91 Cb 0.06 0.78 0.47 0.00 0.00 0.00 0.00 23.12 24.43 1rqk s ALA 91 CO 0.22 -0.37 1.39 1.33 0.00 0.00 0.00 175.76 178.32 1rqk n VAL 92 N -0.39 0.63 -3.95 0.00 0.24 -1.26 -4.93 118.33 108.66 1rqk n VAL 92 Ca -0.03 -0.65 -0.08 0.00 -2.04 0.00 0.00 64.34 61.54 1rqk n VAL 92 Cb 0.65 0.38 -0.09 0.00 -1.47 0.00 0.00 33.84 33.31 1rqk n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1rqk s SER 93 N -1.07 0.25 0.45 -1.34 1.04 -1.26 -5.14 113.70 106.63 1rqk s SER 93 Ca 0.34 -0.73 -0.25 0.00 0.48 0.00 0.00 55.95 55.79 1rqk s SER 93 Cb 0.18 0.27 -0.08 0.00 0.10 0.00 0.00 66.02 66.48 1rqk s SER 93 CO 0.24 -0.64 1.38 -0.62 0.98 0.00 0.00 173.24 174.58 1rqk n GLU 94 N 0.19 2.12 0.00 4.02 4.71 -1.26 -4.16 120.64 126.26 1rqk n GLU 94 Ca -0.16 0.76 0.00 0.00 -0.01 0.00 0.00 57.16 57.75 1rqk n GLU 94 Cb 0.61 -2.56 0.00 0.00 -1.01 0.00 0.00 31.44 28.48 1rqk n GLU 94 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1rqk n GLY 95 N 0.66 0.87 3.94 0.62 0.00 -1.26 -5.10 105.19 104.91 1rqk n GLY 95 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1rqk n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rqk s PHE 96 N -2.00 3.22 0.86 1.61 0.40 -1.26 -5.10 117.98 115.71 1rqk s PHE 96 Ca 0.00 -0.13 -0.11 0.00 -0.60 0.00 0.00 56.93 56.09 1rqk s PHE 96 Cb 0.00 -1.70 0.11 0.00 0.51 0.00 0.00 43.02 41.94 1rqk s PHE 96 CO 0.00 0.28 1.10 -2.14 0.70 0.00 0.00 175.22 175.16 1rqk s PRO 97 N -4.02 1.55 -0.20 0.24 0.02 -1.26 -4.85 135.00 126.48 1rqk s PRO 97 Ca 0.38 1.09 0.02 0.00 0.02 0.00 0.00 61.00 62.51 1rqk s PRO 97 Cb -0.09 -1.82 0.03 0.00 0.02 0.00 0.00 34.50 32.65 1rqk s PRO 97 CO 0.29 -2.11 -0.17 -1.01 -0.33 0.00 0.00 177.00 173.67 1rqk s HIS 98 N -2.85 2.87 0.27 6.54 3.76 -1.26 -3.12 115.29 121.49 1rqk s HIS 98 Ca 0.63 -1.82 -0.29 0.00 -0.15 0.00 0.00 55.06 53.43 1rqk s HIS 98 Cb -0.19 -1.89 -0.09 0.00 1.11 0.00 0.00 32.58 31.52 1rqk s HIS 98 CO 0.57 -0.82 0.96 0.00 -0.85 0.00 0.00 174.74 174.60 1rqk s ALA 99 N 1.25 3.31 0.38 -1.40 0.00 0.16 -4.73 121.76 120.72 1rqk s ALA 99 Ca 0.01 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 1rqk s ALA 99 Cb -0.15 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 1rqk s ALA 99 CO -0.10 0.16 1.42 -2.14 0.00 0.00 0.00 175.76 175.10 1rqk s PRO 100 N -1.46 4.11 0.09 0.00 0.02 -1.26 -0.88 135.00 135.62 1rqk s PRO 100 Ca 0.44 2.43 0.22 0.00 0.02 0.00 0.00 61.00 64.12 1rqk s PRO 100 Cb -0.24 -2.94 -0.15 0.00 0.02 0.00 0.00 34.50 31.19 1rqk s PRO 100 CO 0.30 -0.48 0.80 0.25 -0.33 0.00 0.00 177.00 177.55 1rqk n THR 101 N 0.44 0.32 0.00 0.99 -2.24 -0.99 -4.85 114.28 107.96 1rqk n THR 101 Ca 0.01 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1rqk n THR 101 Cb 0.40 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1rqk n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rqk n GLY 102 N 1.23 3.95 3.53 3.38 0.00 -1.26 -5.08 105.19 110.93 1rqk n GLY 102 Ca -0.02 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1rqk n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rqk s ASP 103 N 0.85 6.16 0.50 1.61 3.68 -1.26 -4.98 116.67 123.23 1rqk s ASP 103 Ca 0.00 -0.38 0.24 0.00 2.13 0.00 0.00 52.55 54.55 1rqk s ASP 103 Cb 0.00 -2.19 1.35 0.00 -1.45 0.00 0.00 42.92 40.63 1rqk s ASP 103 CO 0.00 -0.37 2.05 1.55 0.13 0.00 0.00 175.17 178.53 1rqk h PRO 104 N 8.52 0.00 -0.16 4.34 0.13 -1.95 0.54 132.00 143.43 1rqk h PRO 104 Ca -0.29 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.75 1rqk h PRO 104 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1rqk h PRO 104 CO 0.70 0.14 -0.24 0.52 -0.23 0.00 0.00 178.00 178.89 1rqk h MET 105 N 0.00 0.44 -0.19 0.86 2.86 -1.93 0.64 114.93 117.61 1rqk h MET 105 Ca -0.00 -0.26 -0.16 0.00 -2.06 0.00 0.00 59.70 57.22 1rqk h MET 105 Cb 0.33 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1rqk h MET 105 CO 0.02 0.85 -0.53 0.87 1.06 0.00 0.00 176.91 179.18 1rqk h LYS 106 N 0.07 0.56 0.00 1.72 1.57 -1.76 -3.29 116.57 115.43 1rqk h LYS 106 Ca 0.01 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1rqk h LYS 106 Cb 0.81 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1rqk h LYS 106 CO 0.06 0.95 -0.41 -0.44 -0.57 0.00 0.00 179.45 179.04 1rqk h ASP 107 N 0.43 0.00 -2.32 0.86 3.32 0.06 -3.48 116.42 115.29 1rqk h ASP 107 Ca 0.01 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 1rqk h ASP 107 Cb 1.07 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.65 1rqk h ASP 107 CO 0.10 0.05 -0.12 0.61 -1.72 0.00 0.00 179.24 178.16 1rqk n GLY 108 N 1.28 0.44 3.53 2.75 0.00 0.18 -4.76 105.19 108.61 1rqk n GLY 108 Ca 0.04 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 1rqk n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rqk s VAL 109 N -3.06 1.71 0.00 1.61 -7.23 -0.96 -4.00 120.40 108.47 1rqk s VAL 109 Ca 0.03 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1rqk s VAL 109 Cb -0.01 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1rqk s VAL 109 CO 0.12 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 1rqk n GLY 110 N -0.80 1.85 0.00 2.32 0.00 -1.26 -1.64 105.19 105.66 1rqk n GLY 110 Ca -0.04 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 45.43 1rqk n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rqk n PRO 111 N 9.83 0.00 -0.30 1.61 -0.04 -1.26 -2.24 135.00 142.60 1rqk n PRO 111 Ca 0.00 0.41 0.06 0.00 -0.04 0.00 0.00 63.50 63.93 1rqk n PRO 111 Cb 0.00 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.17 1rqk n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rqk n ALA 112 N -1.50 2.63 -1.69 0.55 0.00 -0.65 -3.19 120.51 116.66 1rqk n ALA 112 Ca 0.01 -0.86 -0.35 0.00 0.00 0.00 0.00 53.44 52.24 1rqk n ALA 112 Cb 0.06 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 18.55 1rqk n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rqk s SER 113 N -0.88 5.38 0.10 0.00 0.01 -0.95 -4.05 113.70 113.32 1rqk s SER 113 Ca 0.30 2.20 0.03 0.00 1.31 0.00 0.00 55.95 59.80 1rqk s SER 113 Cb 0.18 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1rqk s SER 113 CO 0.18 -1.45 -0.09 -1.66 0.41 0.00 0.00 173.24 170.62 1rqk s TRP 114 N -1.86 1.03 0.10 2.43 1.48 -1.26 -4.31 118.94 116.55 1rqk s TRP 114 Ca 0.73 -0.71 0.05 0.00 -1.06 0.00 0.00 56.10 55.11 1rqk s TRP 114 Cb -0.25 -0.57 -0.04 0.00 -1.16 0.00 0.00 33.47 31.45 1rqk s TRP 114 CO 0.32 -0.02 -0.00 0.14 -4.06 0.00 0.00 176.95 173.33 1rqk s VAL 115 N -2.71 3.98 -1.42 -0.66 -7.23 -1.26 -5.01 120.40 106.09 1rqk s VAL 115 Ca 0.07 -1.03 -0.14 0.00 -1.81 0.00 0.00 61.98 59.07 1rqk s VAL 115 Cb -0.01 -2.90 0.02 0.00 0.56 0.00 0.00 36.38 34.04 1rqk s VAL 115 CO -0.01 0.10 2.25 0.00 -0.31 0.00 0.00 175.10 177.14 1rqk n ALA 116 N 0.51 5.51 -1.18 1.32 0.00 -1.26 -4.81 120.51 120.60 1rqk n ALA 116 Ca -0.11 -3.81 -0.29 0.00 0.00 0.00 0.00 53.44 49.23 1rqk n ALA 116 Cb 0.52 -3.53 0.21 0.00 0.00 0.00 0.00 19.45 16.65 1rqk n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rqk s ARG 117 N 3.27 -0.52 0.48 0.00 0.52 -1.26 -4.98 118.95 116.46 1rqk s ARG 117 Ca 0.49 0.10 -0.23 0.00 -0.52 0.00 0.00 55.73 55.58 1rqk s ARG 117 Cb 0.14 -1.66 -0.07 0.00 0.52 0.00 0.00 34.95 33.88 1rqk s ARG 117 CO -0.07 -3.28 1.22 1.03 0.02 0.00 0.00 175.30 174.22 1rqk s ARG 118 N -5.29 3.58 -0.80 3.54 0.52 -1.26 -4.33 118.95 114.92 1rqk s ARG 118 Ca 0.69 1.92 -0.03 0.00 -0.52 0.00 0.00 55.73 57.79 1rqk s ARG 118 Cb -0.12 -2.37 0.25 0.00 0.52 0.00 0.00 34.95 33.23 1rqk s ARG 118 CO 0.56 -0.74 2.23 -3.47 0.02 0.00 0.00 175.30 173.91 1rqk n ASP 119 N -0.63 7.26 -4.21 0.23 2.03 -1.26 -1.55 116.55 118.42 1rqk n ASP 119 Ca 0.08 -3.60 -0.15 0.00 0.52 0.00 0.00 54.79 51.64 1rqk n ASP 119 Cb 0.47 -1.15 -0.11 0.00 -0.72 0.00 0.00 41.12 39.61 1rqk n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1rqk s LEU 120 N -3.46 2.43 0.35 -2.67 1.43 -1.26 -4.92 118.68 110.57 1rqk s LEU 120 Ca 0.52 -0.85 -0.26 0.00 -1.03 0.00 0.00 54.13 52.52 1rqk s LEU 120 Cb 0.37 -0.38 -0.10 0.00 0.03 0.00 0.00 46.19 46.12 1rqk s LEU 120 CO -0.30 -0.24 0.99 -2.16 0.23 0.00 0.00 176.35 174.86 1rqk s PRO 121 N -2.93 4.45 0.27 1.29 0.04 -1.26 -1.04 135.00 135.82 1rqk s PRO 121 Ca 0.08 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.24 1rqk s PRO 121 Cb -0.02 -2.74 -0.12 0.00 0.04 0.00 0.00 34.50 31.66 1rqk s PRO 121 CO 0.01 0.14 1.60 -1.91 0.04 0.00 0.00 177.00 176.88 1rqk n GLU 122 N 0.39 2.62 -4.00 4.56 2.13 -1.26 -4.89 120.64 120.19 1rqk n GLU 122 Ca 0.03 0.94 -0.24 0.00 0.66 0.00 0.00 57.16 58.55 1rqk n GLU 122 Cb 0.50 -2.72 -0.03 0.00 0.27 0.00 0.00 31.44 29.46 1rqk n GLU 122 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1rqk s LEU 123 N -0.04 4.16 0.00 4.31 1.43 -1.26 -0.83 118.68 126.45 1rqk s LEU 123 Ca 0.67 0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1rqk s LEU 123 Cb -0.52 -2.72 0.12 0.00 0.03 0.00 0.00 46.19 43.10 1rqk s LEU 123 CO 0.45 -0.00 0.80 -0.90 0.23 0.00 0.00 176.35 176.93 1rqk n ASP 124 N -0.93 0.78 0.00 2.29 5.75 0.54 -4.67 116.55 120.31 1rqk n ASP 124 Ca -0.08 -1.73 0.08 0.00 -0.01 0.00 0.00 54.79 53.05 1rqk n ASP 124 Cb 0.56 -0.55 0.40 0.00 -1.03 0.00 0.00 41.12 40.50 1rqk n ASP 124 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rqk n GLY 125 N -0.89 -0.88 0.57 6.12 0.00 -1.26 -1.04 105.19 107.80 1rqk n GLY 125 Ca 0.12 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1rqk n GLY 125 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rqk n HIS 126 N -1.33 0.00 -0.57 1.61 8.25 -1.26 -4.98 115.22 116.94 1rqk n HIS 126 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1rqk n HIS 126 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1rqk n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rqk n GLY 127 N 1.00 0.72 3.90 -1.41 0.00 -0.20 -5.07 105.19 104.13 1rqk n GLY 127 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1rqk n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rqk s HIS 128 N -2.10 3.47 -0.03 1.61 3.76 -1.26 -4.77 115.29 115.96 1rqk s HIS 128 Ca 0.00 0.58 -0.35 0.00 -0.15 0.00 0.00 55.06 55.15 1rqk s HIS 128 Cb 0.00 -2.04 -0.13 0.00 1.11 0.00 0.00 32.58 31.53 1rqk s HIS 128 CO 0.00 0.32 1.78 0.09 -0.85 0.00 0.00 174.74 176.08 1rqk n ASN 129 N -0.42 3.24 -0.19 1.40 3.02 -1.26 -0.34 115.26 120.71 1rqk n ASN 129 Ca -0.02 1.01 -0.01 0.00 -0.03 0.00 0.00 54.58 55.53 1rqk n ASN 129 Cb 0.53 -1.36 0.09 0.00 -0.61 0.00 0.00 39.78 38.43 1rqk n ASN 129 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1rqk h LYS 130 N 8.13 0.40 -5.91 3.52 3.64 -1.25 -3.43 116.57 121.67 1rqk h LYS 130 Ca -0.47 -0.02 -0.68 0.00 -1.27 0.00 0.00 60.65 58.20 1rqk h LYS 130 Cb 1.27 -0.09 -0.25 0.00 -0.41 0.00 0.00 32.23 32.75 1rqk h LYS 130 CO 0.93 0.26 -0.78 0.42 -2.27 0.00 0.00 179.45 178.02 1rqk s ILE 131 N -6.10 2.98 -0.01 2.00 1.01 -1.26 -1.03 121.20 118.78 1rqk s ILE 131 Ca -0.13 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 1rqk s ILE 131 Cb 0.16 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.45 1rqk s ILE 131 CO 0.74 0.56 0.23 -0.54 0.00 0.00 0.00 174.94 175.93 1rqk s LYS 132 N -0.26 0.55 0.41 2.79 1.02 -0.81 -4.67 119.74 118.76 1rqk s LYS 132 Ca 0.01 -0.23 -0.26 0.00 0.02 0.00 0.00 55.97 55.52 1rqk s LYS 132 Cb -0.13 0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 37.33 1rqk s LYS 132 CO 0.03 -0.14 1.32 -1.25 -0.92 0.00 0.00 175.35 174.39 1rqk s PRO 133 N -1.21 3.94 0.50 -1.68 0.04 -1.26 -0.33 135.00 135.00 1rqk s PRO 133 Ca -0.13 2.19 0.19 0.00 0.04 0.00 0.00 61.00 63.30 1rqk s PRO 133 Cb -0.06 -2.75 1.26 0.00 0.04 0.00 0.00 34.50 32.99 1rqk s PRO 133 CO 0.03 -0.53 2.09 1.98 0.04 0.00 0.00 177.00 180.60 1rqk h MET 134 N 2.64 0.00 -0.43 4.56 4.05 -1.17 -0.74 114.93 123.84 1rqk h MET 134 Ca -0.50 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 58.97 1rqk h MET 134 Cb 1.25 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.02 1rqk h MET 134 CO 0.62 0.10 0.29 1.57 0.23 0.00 0.00 176.91 179.72 1rqk h LYS 135 N 0.00 0.38 -0.58 0.39 2.10 -1.90 -1.98 116.57 114.97 1rqk h LYS 135 Ca -0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1rqk h LYS 135 Cb 0.19 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1rqk h LYS 135 CO 0.01 0.25 0.00 0.00 -2.00 0.00 0.00 179.45 177.71 1rqk n ALA 136 N -2.51 2.40 -3.79 0.07 0.00 -0.30 -4.81 120.51 111.57 1rqk n ALA 136 Ca 0.05 -1.13 -0.36 0.00 0.00 0.00 0.00 53.44 52.00 1rqk n ALA 136 Cb 0.21 -0.92 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 1rqk n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rqk s ALA 137 N -1.23 3.20 0.18 0.00 0.00 -0.75 -4.96 121.76 118.20 1rqk s ALA 137 Ca 0.44 -2.65 -0.30 0.00 0.00 0.00 0.00 51.96 49.45 1rqk s ALA 137 Cb 0.24 -2.42 -0.08 0.00 0.00 0.00 0.00 23.12 20.86 1rqk s ALA 137 CO 0.32 -1.84 1.28 0.00 0.00 0.00 0.00 175.76 175.52 1rqk s ALA 138 N 0.94 3.50 0.00 0.00 0.00 -1.26 -2.74 121.76 122.20 1rqk s ALA 138 Ca 0.10 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1rqk s ALA 138 Cb -0.22 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1rqk s ALA 138 CO -0.04 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1rqk n GLY 139 N 2.45 2.35 3.75 0.00 0.00 -1.26 -5.05 105.19 107.43 1rqk n GLY 139 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1rqk n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rqk s PHE 140 N -2.39 3.84 0.13 1.61 0.40 -1.11 -5.06 117.98 115.40 1rqk s PHE 140 Ca 0.00 1.67 -0.17 0.00 -0.60 0.00 0.00 56.93 57.82 1rqk s PHE 140 Cb 0.00 -2.89 0.04 0.00 0.51 0.00 0.00 43.02 40.68 1rqk s PHE 140 CO 0.00 0.35 0.43 -3.38 0.70 0.00 0.00 175.22 173.32 1rqk s HIS 141 N -0.52 -0.26 -0.25 0.36 -3.43 -1.26 -5.00 115.29 104.93 1rqk s HIS 141 Ca 0.40 -0.03 -0.29 0.00 -0.80 0.00 0.00 55.06 54.34 1rqk s HIS 141 Cb -0.23 0.30 -0.02 0.00 -1.43 0.00 0.00 32.58 31.21 1rqk s HIS 141 CO 0.27 -0.72 1.54 0.08 -2.00 0.00 0.00 174.74 173.91 1rqk s VAL 142 N -3.73 3.80 -0.16 -5.38 1.01 -1.26 -4.88 120.40 109.80 1rqk s VAL 142 Ca 0.02 0.90 0.21 0.00 0.00 0.00 0.00 61.98 63.11 1rqk s VAL 142 Cb 0.01 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.43 1rqk s VAL 142 CO -0.12 -0.36 0.81 -1.54 0.00 0.00 0.00 175.10 173.89 1rqk n SER 143 N 8.34 0.60 -3.49 3.32 3.41 -1.26 -5.01 113.62 119.53 1rqk n SER 143 Ca 0.18 0.24 -0.16 0.00 -0.26 0.00 0.00 58.87 58.87 1rqk n SER 143 Cb 0.46 0.82 -0.05 0.00 -0.26 0.00 0.00 64.21 65.18 1rqk n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rqk s ALA 144 N -3.28 -1.73 0.00 7.33 0.00 -1.26 -5.14 121.76 117.68 1rqk s ALA 144 Ca -0.03 1.07 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1rqk s ALA 144 Cb 0.10 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1rqk s ALA 144 CO 0.83 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.50 1rqk n GLY 145 N 0.47 -0.68 3.72 0.00 0.00 -1.26 -4.86 105.19 102.57 1rqk n GLY 145 Ca -0.18 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1rqk n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rqk s LYS 146 N -1.66 4.52 -0.22 1.61 2.47 -1.26 -4.99 119.74 120.21 1rqk s LYS 146 Ca 0.00 1.67 -0.29 0.00 -1.56 0.00 0.00 55.97 55.78 1rqk s LYS 146 Cb 0.00 -3.35 -0.01 0.00 -1.46 0.00 0.00 37.83 33.01 1rqk s LYS 146 CO 0.00 -0.10 1.30 1.21 0.16 0.00 0.00 175.35 177.93 1rqk s ASN 147 N 0.66 6.80 0.35 1.43 3.84 -1.26 -4.94 114.94 121.82 1rqk s ASN 147 Ca 0.54 1.50 0.27 0.00 0.21 0.00 0.00 52.86 55.38 1rqk s ASN 147 Cb -0.27 -2.54 1.09 0.00 -0.55 0.00 0.00 41.25 38.98 1rqk s ASN 147 CO 0.31 -0.92 1.80 1.55 -2.79 0.00 0.00 177.10 177.05 1rqk h PRO 148 N 8.80 0.00 -6.35 0.43 0.13 -1.96 -3.46 132.00 129.59 1rqk h PRO 148 Ca -0.27 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.32 1rqk h PRO 148 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1rqk h PRO 148 CO 1.00 0.00 0.96 0.42 -0.23 0.00 0.00 178.00 180.15 1rqk s ILE 149 N -3.42 3.50 0.00 -3.56 1.01 -1.26 -0.95 121.20 116.52 1rqk s ILE 149 Ca 0.04 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.50 1rqk s ILE 149 Cb 0.09 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1rqk s ILE 149 CO 0.45 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1rqk n GLY 150 N 3.90 0.55 3.77 6.18 0.00 -0.24 -5.02 105.19 114.33 1rqk n GLY 150 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1rqk n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rqk s LEU 151 N 0.00 4.41 0.50 0.99 1.43 -0.12 -4.75 118.68 121.13 1rqk s LEU 151 Ca 0.00 1.94 -0.21 0.00 -1.03 0.00 0.00 54.13 54.83 1rqk s LEU 151 Cb 0.00 -3.90 -0.07 0.00 0.03 0.00 0.00 46.19 42.25 1rqk s LEU 151 CO 0.00 -0.09 1.11 -2.16 0.23 0.00 0.00 176.35 175.45 1rqk s PRO 152 N -1.85 3.61 -0.15 1.29 0.04 -1.26 -0.91 135.00 135.77 1rqk s PRO 152 Ca 0.48 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 1rqk s PRO 152 Cb -0.22 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 1rqk s PRO 152 CO 0.28 -0.63 -0.09 0.08 0.04 0.00 0.00 177.00 176.68 1rqk s VAL 153 N -1.74 3.31 -0.07 -0.36 1.01 0.12 -1.15 120.40 121.52 1rqk s VAL 153 Ca 0.68 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1rqk s VAL 153 Cb -0.24 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1rqk s VAL 153 CO 0.28 0.50 -0.22 -0.60 0.00 0.00 0.00 175.10 175.06 1rqk s ARG 154 N 0.52 2.71 0.65 2.72 3.52 -0.26 -0.16 118.95 128.64 1rqk s ARG 154 Ca -0.07 -0.84 -0.03 0.00 -0.13 0.00 0.00 55.73 54.66 1rqk s ARG 154 Cb -0.15 -2.27 0.06 0.00 -1.56 0.00 0.00 34.95 31.03 1rqk s ARG 154 CO 0.04 0.37 0.92 0.20 -0.81 0.00 0.00 175.30 176.02 1rqk s GLY 155 N -0.13 1.76 0.64 8.12 0.00 -0.16 -0.98 107.32 116.56 1rqk s GLY 155 Ca -0.04 -1.19 0.42 0.00 0.00 0.00 0.00 44.72 43.92 1rqk s GLY 155 CO 0.04 -0.80 2.29 0.00 0.00 0.00 0.00 173.10 174.62 1rqk n ASP 157 N -3.04 0.00 -2.21 0.00 5.75 -1.26 -2.63 116.55 113.16 1rqk n ASP 157 Ca -0.02 -1.77 -0.19 0.00 -0.01 0.00 0.00 54.79 52.80 1rqk n ASP 157 Cb 0.11 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.19 1rqk n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1rqk n LEU 158 N -0.54 -1.88 -4.55 -2.12 4.77 0.13 -4.91 117.00 107.90 1rqk n LEU 158 Ca 0.02 -0.01 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1rqk n LEU 158 Cb 0.01 -2.77 -0.10 0.00 -2.33 0.00 0.00 43.42 38.22 1rqk n LEU 158 CO 0.01 -0.21 -0.44 -0.70 -1.33 0.00 0.00 177.39 174.72 1rqk s GLU 159 N -4.96 1.99 -0.26 3.23 2.56 -1.25 -4.91 118.70 115.10 1rqk s GLU 159 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 54.97 53.54 1rqk s GLU 159 Cb 0.00 -2.20 0.01 0.00 2.00 0.00 0.00 34.13 33.94 1rqk s GLU 159 CO 0.00 0.48 0.99 0.42 -0.56 0.00 0.00 175.26 176.59 1rqk s ILE 160 N -1.35 4.68 -0.19 -3.70 -1.09 -1.26 -0.99 121.20 117.29 1rqk s ILE 160 Ca 0.21 1.83 0.21 0.00 -2.23 0.00 0.00 60.65 60.68 1rqk s ILE 160 Cb -0.10 -4.29 -0.06 0.00 -1.58 0.00 0.00 42.46 36.43 1rqk s ILE 160 CO 0.13 -0.23 0.94 0.00 -1.23 0.00 0.00 174.94 174.55 1rqk n ALA 161 N 6.37 2.39 0.00 9.38 0.00 0.77 -4.95 120.51 134.47 1rqk n ALA 161 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1rqk n ALA 161 Cb 0.47 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1rqk n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqk n GLY 162 N 1.24 -0.61 2.96 0.00 0.00 -1.14 -4.15 105.19 103.49 1rqk n GLY 162 Ca -0.03 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1rqk n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rqk s LYS 163 N -0.64 0.21 0.02 1.61 -2.85 -0.52 0.13 119.74 117.70 1rqk s LYS 163 Ca 0.00 -0.35 -0.30 0.00 -1.00 0.00 0.00 55.97 54.32 1rqk s LYS 163 Cb 0.00 0.08 -0.04 0.00 -2.06 0.00 0.00 37.83 35.81 1rqk s LYS 163 CO 0.00 -0.04 1.08 0.08 0.10 0.00 0.00 175.35 176.57 1rqk s VAL 164 N -0.88 4.51 -0.08 1.79 1.01 -0.09 0.31 120.40 126.96 1rqk s VAL 164 Ca -0.10 1.80 0.02 0.00 0.00 0.00 0.00 61.98 63.70 1rqk s VAL 164 Cb -0.06 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1rqk s VAL 164 CO -0.00 0.13 0.08 1.33 0.00 0.00 0.00 175.10 176.63 1rqk n VAL 165 N 3.98 0.00 -3.64 2.92 0.24 0.33 -1.07 118.33 121.09 1rqk n VAL 165 Ca 0.08 -0.46 -0.05 0.00 -2.04 0.00 0.00 64.34 61.87 1rqk n VAL 165 Cb 0.49 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.84 1rqk n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rqk s ASP 166 N -1.14 -0.22 -0.10 -1.34 -1.08 -1.20 -4.93 116.67 106.65 1rqk s ASP 166 Ca 0.01 -0.20 -0.01 0.00 -0.52 0.00 0.00 52.55 51.83 1rqk s ASP 166 Cb 0.01 0.39 -0.03 0.00 -1.46 0.00 0.00 42.92 41.83 1rqk s ASP 166 CO 0.07 -0.68 -0.07 -0.63 0.52 0.00 0.00 175.17 174.38 1rqk s ILE 167 N -3.06 3.66 -0.20 4.11 1.01 -1.26 -0.94 121.20 124.53 1rqk s ILE 167 Ca 0.10 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 1rqk s ILE 167 Cb -0.00 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.88 1rqk s ILE 167 CO -0.03 0.56 0.15 0.26 0.00 0.00 0.00 174.94 175.88 1rqk s TRP 168 N -0.28 3.41 0.08 3.97 0.52 0.40 -0.56 118.94 126.49 1rqk s TRP 168 Ca 0.04 0.36 0.10 0.00 0.02 0.00 0.00 56.10 56.61 1rqk s TRP 168 Cb -0.13 -2.19 -0.03 0.00 -1.15 0.00 0.00 33.47 29.97 1rqk s TRP 168 CO 0.02 0.27 -0.26 0.14 0.02 0.00 0.00 176.95 177.15 1rqk s VAL 169 N 0.41 2.24 -0.52 4.03 -7.23 0.55 -0.97 120.40 118.89 1rqk s VAL 169 Ca 0.09 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 58.45 1rqk s VAL 169 Cb -0.11 -1.92 0.03 0.00 0.56 0.00 0.00 36.38 34.93 1rqk s VAL 169 CO -0.01 0.25 1.17 -0.62 -0.31 0.00 0.00 175.10 175.58 1rqk s ASP 170 N -1.59 6.54 0.03 4.85 -1.08 0.58 -1.93 116.67 124.08 1rqk s ASP 170 Ca 0.13 0.31 -0.26 0.00 -0.52 0.00 0.00 52.55 52.20 1rqk s ASP 170 Cb -0.10 -2.55 -0.17 0.00 -1.46 0.00 0.00 42.92 38.64 1rqk s ASP 170 CO 0.04 -1.36 1.39 0.40 0.52 0.00 0.00 175.17 176.15 1rqk h ILE 171 N 6.21 0.76 -0.69 4.11 2.04 -1.39 -0.38 117.51 128.16 1rqk h ILE 171 Ca -0.24 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 1rqk h ILE 171 Cb 1.06 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1rqk h ILE 171 CO 1.16 0.09 0.27 1.55 0.00 0.00 0.00 178.15 181.22 1rqk h PRO 172 N -0.62 1.01 -0.01 2.37 0.13 -1.93 -2.52 132.00 130.43 1rqk h PRO 172 Ca -0.04 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1rqk h PRO 172 Cb 0.45 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1rqk h PRO 172 CO 0.06 0.83 -0.03 0.39 -0.23 0.00 0.00 178.00 179.02 1rqk n GLU 173 N -4.30 1.26 -3.91 0.86 1.02 -1.23 -4.98 120.64 109.36 1rqk n GLU 173 Ca 0.06 -0.52 -0.37 0.00 -0.02 0.00 0.00 57.16 56.30 1rqk n GLU 173 Cb 0.18 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.13 1rqk n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1rqk n GLN 174 N -0.42 -0.76 -3.82 3.49 6.02 -0.19 -4.98 117.38 116.72 1rqk n GLN 174 Ca 0.19 0.35 -0.12 0.00 -0.01 0.00 0.00 57.00 57.41 1rqk n GLN 174 Cb 0.27 -2.83 -0.12 0.00 1.02 0.00 0.00 30.24 28.57 1rqk n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1rqk s MET 175 N -6.44 0.20 0.08 -1.09 1.75 -0.97 -4.95 119.30 107.89 1rqk s MET 175 Ca 0.36 0.16 -0.31 0.00 -1.25 0.00 0.00 55.69 54.65 1rqk s MET 175 Cb -0.18 0.10 -0.06 0.00 2.84 0.00 0.00 34.83 37.53 1rqk s MET 175 CO 0.93 -0.03 1.22 0.00 -0.65 0.00 0.00 175.02 176.49 1rqk s ALA 176 N -0.04 3.42 -0.02 4.11 0.00 -1.26 -0.30 121.76 127.66 1rqk s ALA 176 Ca -0.01 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1rqk s ALA 176 Cb -0.02 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1rqk s ALA 176 CO 0.00 -0.44 -0.02 0.54 0.00 0.00 0.00 175.76 175.84 1rqk n ARG 177 N 3.76 0.56 -4.06 0.00 1.74 -0.15 -4.83 116.66 113.68 1rqk n ARG 177 Ca 0.09 0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 57.06 1rqk n ARG 177 Cb 0.46 -1.05 -0.11 0.00 -1.02 0.00 0.00 32.46 30.74 1rqk n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1rqk s PHE 178 N -2.05 0.62 -0.13 -1.55 0.40 -1.11 -1.16 117.98 113.00 1rqk s PHE 178 Ca -0.03 -0.54 -0.11 0.00 -0.60 0.00 0.00 56.93 55.65 1rqk s PHE 178 Cb 0.01 -0.38 -0.05 0.00 0.51 0.00 0.00 43.02 43.11 1rqk s PHE 178 CO 0.06 -0.11 0.23 -0.51 0.70 0.00 0.00 175.22 175.59 1rqk s LEU 179 N -1.68 4.33 -0.22 -0.37 1.43 -0.12 -0.45 118.68 121.59 1rqk s LEU 179 Ca -0.09 0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 53.36 1rqk s LEU 179 Cb -0.09 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 1rqk s LEU 179 CO -0.00 0.26 0.45 -0.70 0.23 0.00 0.00 176.35 176.59 1rqk s GLU 180 N -0.32 4.13 -0.16 1.70 2.12 -0.11 -1.06 118.70 125.00 1rqk s GLU 180 Ca 0.16 0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.73 1rqk s GLU 180 Cb -0.13 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 1rqk s GLU 180 CO 0.04 -0.17 -0.08 0.08 -0.54 0.00 0.00 175.26 174.60 1rqk s VAL 181 N 1.71 3.36 -0.07 3.70 1.01 0.97 -0.51 120.40 130.57 1rqk s VAL 181 Ca 0.20 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 1rqk s VAL 181 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1rqk s VAL 181 CO 0.09 0.49 0.76 -0.70 0.00 0.00 0.00 175.10 175.74 1rqk s GLU 182 N 0.64 4.43 0.44 2.72 2.12 0.15 -1.36 118.70 127.84 1rqk s GLU 182 Ca -0.05 0.97 0.02 0.00 0.36 0.00 0.00 54.97 56.28 1rqk s GLU 182 Cb -0.15 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.77 1rqk s GLU 182 CO 0.03 -0.01 0.64 -0.51 -0.54 0.00 0.00 175.26 174.87 1rqk s LEU 183 N 1.03 3.65 0.40 2.70 1.43 0.08 -1.43 118.68 126.54 1rqk s LEU 183 Ca 0.40 0.09 0.20 0.00 -1.03 0.00 0.00 54.13 53.79 1rqk s LEU 183 Cb -0.18 -2.99 1.15 0.00 0.03 0.00 0.00 46.19 44.20 1rqk s LEU 183 CO 0.19 -0.73 1.75 0.50 0.23 0.00 0.00 176.35 178.28 1rqk h LYS 184 N 0.45 0.33 -0.01 1.70 1.63 -1.87 0.24 116.57 119.05 1rqk h LYS 184 Ca -0.45 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1rqk h LYS 184 Cb 1.26 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1rqk h LYS 184 CO 0.55 0.22 0.00 -0.40 -3.45 0.00 0.00 179.45 176.37 1rqk n ASP 185 N -4.65 0.65 0.00 4.20 5.75 -1.26 -4.91 116.55 116.33 1rqk n ASP 185 Ca 0.27 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 1rqk n ASP 185 Cb 0.97 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 1rqk n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rqk n GLY 186 N 1.07 1.43 3.79 6.12 0.00 0.84 -5.06 105.19 113.38 1rqk n GLY 186 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1rqk n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rqk s SER 187 N -1.64 4.25 0.32 1.61 1.04 -1.26 -4.77 113.70 113.25 1rqk s SER 187 Ca 0.00 1.28 0.08 0.00 0.48 0.00 0.00 55.95 57.79 1rqk s SER 187 Cb 0.00 -1.99 -0.06 0.00 0.10 0.00 0.00 66.02 64.07 1rqk s SER 187 CO 0.00 -2.12 -0.06 0.42 0.98 0.00 0.00 173.24 172.46 1rqk s THR 188 N -3.15 1.87 0.04 2.02 -4.23 -1.26 -0.74 115.64 110.19 1rqk s THR 188 Ca 0.61 -2.14 -0.03 0.00 -1.18 0.00 0.00 61.69 58.96 1rqk s THR 188 Cb -0.15 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 1rqk s THR 188 CO 0.54 -0.22 0.03 -0.13 -0.54 0.00 0.00 174.62 174.30 1rqk s ARG 189 N -3.69 0.53 0.07 3.99 1.81 -0.46 -4.90 118.95 116.29 1rqk s ARG 189 Ca 0.31 -0.86 -0.18 0.00 -1.72 0.00 0.00 55.73 53.28 1rqk s ARG 189 Cb 0.04 0.20 -0.07 0.00 -0.45 0.00 0.00 34.95 34.67 1rqk s ARG 189 CO 0.14 -0.11 0.55 -0.51 -0.68 0.00 0.00 175.30 174.69 1rqk s LEU 190 N -2.22 4.51 -0.06 2.53 1.43 -1.26 -0.02 118.68 123.60 1rqk s LEU 190 Ca -0.04 1.22 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 1rqk s LEU 190 Cb -0.00 -2.88 -0.00 0.00 0.03 0.00 0.00 46.19 43.33 1rqk s LEU 190 CO -0.05 0.27 -0.19 -0.76 0.23 0.00 0.00 176.35 175.85 1rqk s LEU 191 N -1.16 1.93 0.35 1.79 1.43 -0.23 -4.97 118.68 117.83 1rqk s LEU 191 Ca 0.29 -0.40 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 1rqk s LEU 191 Cb -0.19 -1.07 -0.10 0.00 0.03 0.00 0.00 46.19 44.86 1rqk s LEU 191 CO 0.18 0.15 1.27 -2.16 0.23 0.00 0.00 176.35 176.03 1rqk s PRO 192 N 0.13 4.26 0.38 1.29 0.04 -1.26 -0.95 135.00 138.88 1rqk s PRO 192 Ca -0.07 2.12 0.08 0.00 0.04 0.00 0.00 61.00 63.17 1rqk s PRO 192 Cb -0.13 -2.96 0.76 0.00 0.04 0.00 0.00 34.50 32.20 1rqk s PRO 192 CO 0.03 -0.24 1.92 0.52 0.04 0.00 0.00 177.00 179.28 1rqk h MET 193 N 3.17 0.32 0.00 4.56 2.86 -1.46 -2.09 114.93 122.28 1rqk h MET 193 Ca -0.49 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 1rqk h MET 193 Cb 1.23 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.84 1rqk h MET 193 CO 0.65 0.41 0.00 1.04 1.06 0.00 0.00 176.91 180.06 1rqk n GLN 194 N -4.29 0.15 -0.39 1.72 3.00 -1.26 -2.48 117.38 113.81 1rqk n GLN 194 Ca -0.00 0.41 0.08 0.00 -0.01 0.00 0.00 57.00 57.48 1rqk n GLN 194 Cb 0.25 -1.80 0.24 0.00 0.00 0.00 0.00 30.24 28.93 1rqk n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1rqk n MET 195 N -2.08 3.07 -4.41 -1.09 2.81 -0.79 -5.00 117.12 109.63 1rqk n MET 195 Ca 0.02 -2.60 -0.21 0.00 -1.81 0.00 0.00 57.70 53.10 1rqk n MET 195 Cb 0.19 -1.68 -0.10 0.00 -0.71 0.00 0.00 33.22 30.92 1rqk n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1rqk s VAL 196 N -2.14 1.69 -0.25 2.03 -7.23 -1.04 -4.46 120.40 109.01 1rqk s VAL 196 Ca 0.37 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1rqk s VAL 196 Cb 0.27 -2.37 0.07 0.00 0.56 0.00 0.00 36.38 34.92 1rqk s VAL 196 CO 0.13 -0.36 -0.01 -0.75 -0.31 0.00 0.00 175.10 173.80 1rqk s LYS 197 N -3.70 1.30 -0.60 4.82 2.47 -0.34 -4.98 119.74 118.71 1rqk s LYS 197 Ca 0.28 -0.98 -0.27 0.00 -1.56 0.00 0.00 55.97 53.44 1rqk s LYS 197 Cb 0.03 -2.47 0.03 0.00 -1.46 0.00 0.00 37.83 33.96 1rqk s LYS 197 CO 0.11 -0.70 1.14 0.08 0.16 0.00 0.00 175.35 176.14 1rqk s VAL 198 N 1.46 4.07 0.71 4.02 1.01 -1.26 -0.62 120.40 129.79 1rqk s VAL 198 Ca -0.01 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.62 1rqk s VAL 198 Cb -0.18 -4.71 0.14 0.00 0.00 0.00 0.00 36.38 31.62 1rqk s VAL 198 CO -0.10 -1.38 0.98 -1.10 0.00 0.00 0.00 175.10 173.51 1rqk s GLN 199 N 4.81 1.68 0.30 2.72 -0.21 -0.04 -5.00 119.66 123.92 1rqk s GLN 199 Ca 0.38 -1.35 0.15 0.00 0.02 0.00 0.00 55.36 54.56 1rqk s GLN 199 Cb -0.09 -2.39 0.34 0.00 1.00 0.00 0.00 33.01 31.87 1rqk s GLN 199 CO 0.22 -1.43 1.57 0.66 -2.12 0.00 0.00 175.29 174.19 1rqk h SER 200 N -0.45 0.00 0.00 5.90 4.64 -2.01 -3.29 113.55 118.34 1rqk h SER 200 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1rqk h SER 200 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1rqk h SER 200 CO 0.38 0.52 0.00 -0.46 -0.87 0.00 0.00 176.83 176.39 1rqk n ASN 201 N -3.43 1.52 -3.64 4.97 2.04 -1.26 -5.06 115.26 110.40 1rqk n ASN 201 Ca 0.00 -1.66 -0.01 0.00 -0.44 0.00 0.00 54.58 52.47 1rqk n ASN 201 Cb 0.65 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.89 1rqk n ASN 201 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1rqk s ARG 202 N -0.66 0.89 -0.14 -3.83 1.70 -1.24 -4.59 118.95 111.08 1rqk s ARG 202 Ca 0.00 -0.52 -0.01 0.00 -0.47 0.00 0.00 55.73 54.73 1rqk s ARG 202 Cb 0.00 0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 1rqk s ARG 202 CO 0.00 -0.41 -0.11 0.08 -1.08 0.00 0.00 175.30 173.78 1rqk s VAL 203 N -2.70 3.18 -0.16 4.99 1.01 -0.30 -0.86 120.40 125.56 1rqk s VAL 203 Ca 0.16 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1rqk s VAL 203 Cb 0.01 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1rqk s VAL 203 CO 0.01 0.51 0.01 -2.28 0.00 0.00 0.00 175.10 173.35 1rqk s HIS 204 N 0.45 3.14 -0.30 5.22 2.46 0.21 -1.10 115.29 125.35 1rqk s HIS 204 Ca -0.09 -0.09 0.02 0.00 0.47 0.00 0.00 55.06 55.38 1rqk s HIS 204 Cb -0.16 -1.99 0.08 0.00 -0.13 0.00 0.00 32.58 30.38 1rqk s HIS 204 CO 0.04 0.11 -0.02 0.08 -2.47 0.00 0.00 174.74 172.48 1rqk s VAL 205 N 0.21 2.40 0.17 0.89 1.01 -0.15 -1.20 120.40 123.73 1rqk s VAL 205 Ca 0.01 -1.88 -0.03 0.00 0.00 0.00 0.00 61.98 60.07 1rqk s VAL 205 Cb -0.13 -2.55 -0.11 0.00 0.00 0.00 0.00 36.38 33.59 1rqk s VAL 205 CO 0.02 -0.29 1.42 0.78 0.00 0.00 0.00 175.10 177.03 1rqk h ASN 206 N 7.77 0.56 0.24 3.32 2.35 -1.85 -1.50 115.58 126.47 1rqk h ASN 206 Ca -0.14 -0.36 -0.04 0.00 -0.55 0.00 0.00 56.30 55.21 1rqk h ASN 206 Cb 1.04 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 1rqk h ASN 206 CO 0.51 1.11 -0.21 0.00 -1.65 0.00 0.00 177.43 177.18 1rqk h ALA 207 N 0.88 1.58 -4.04 -0.83 0.00 -1.85 -3.40 119.26 111.60 1rqk h ALA 207 Ca -0.03 -0.19 -0.57 0.00 0.00 0.00 0.00 54.91 54.12 1rqk h ALA 207 Cb 1.30 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.80 1rqk h ALA 207 CO 0.13 0.26 -0.84 -0.51 0.00 0.00 0.00 179.25 178.30 1rqk s LEU 208 N -8.36 2.16 0.43 0.00 1.43 -1.25 -3.51 118.68 109.58 1rqk s LEU 208 Ca -0.04 -0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1rqk s LEU 208 Cb 0.15 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1rqk s LEU 208 CO 0.69 0.15 0.72 -0.94 0.23 0.00 0.00 176.35 177.20 1rqk s SER 209 N -1.14 6.31 0.35 2.29 1.04 -1.26 -0.13 113.70 121.15 1rqk s SER 209 Ca 0.07 0.84 0.08 0.00 0.48 0.00 0.00 55.95 57.42 1rqk s SER 209 Cb -0.09 -2.20 0.79 0.00 0.10 0.00 0.00 66.02 64.62 1rqk s SER 209 CO 0.02 -0.47 1.86 0.77 0.98 0.00 0.00 173.24 176.39 1rqk h SER 210 N 0.56 0.68 0.49 7.02 4.64 -1.87 0.40 113.55 125.47 1rqk h SER 210 Ca -0.48 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1rqk h SER 210 Cb 1.20 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1rqk h SER 210 CO 0.62 0.34 0.00 -0.90 -0.87 0.00 0.00 176.83 176.02 1rqk n ASP 211 N -4.58 0.00 -0.77 4.97 5.75 -1.26 -2.95 116.55 117.71 1rqk n ASP 211 Ca 0.18 0.37 0.10 0.00 -0.01 0.00 0.00 54.79 55.43 1rqk n ASP 211 Cb 0.48 -0.44 0.08 0.00 -1.03 0.00 0.00 41.12 40.21 1rqk n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1rqk n LEU 212 N -1.44 2.59 -0.13 -2.12 4.77 0.13 -4.49 117.00 116.32 1rqk n LEU 212 Ca 0.05 -0.98 -0.06 0.00 -0.03 0.00 0.00 56.01 54.99 1rqk n LEU 212 Cb 0.18 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1rqk n LEU 212 CO 0.15 0.45 0.84 -0.26 -1.33 0.00 0.00 177.39 177.23 1rqk h PHE 213 N 3.77 0.92 0.00 -1.77 -1.00 -1.60 -2.72 116.94 114.54 1rqk h PHE 213 Ca 0.00 -0.15 -0.04 0.00 2.81 0.00 0.00 57.97 60.60 1rqk h PHE 213 Cb 0.82 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 40.13 1rqk h PHE 213 CO 0.00 0.86 -0.17 0.00 -1.61 0.00 0.00 178.31 177.39 1rqk h ALA 214 N 1.17 1.26 0.00 2.45 0.00 -1.82 -2.56 119.26 119.76 1rqk h ALA 214 Ca 0.14 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1rqk h ALA 214 Cb 0.53 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1rqk h ALA 214 CO 0.03 0.21 -0.35 0.78 0.00 0.00 0.00 179.25 179.92 1rqk h GLY 215 N 1.08 0.00 -5.99 0.00 0.00 -1.77 -3.44 103.07 92.95 1rqk h GLY 215 Ca -0.00 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.60 1rqk h GLY 215 CO 0.02 0.00 0.62 1.39 0.00 0.00 0.00 176.54 178.58 1rqk n ILE 216 N -3.50 0.13 -1.64 2.60 5.41 -0.97 -4.87 119.36 116.53 1rqk n ILE 216 Ca -0.00 -0.02 -0.43 0.00 1.00 0.00 0.00 62.75 63.30 1rqk n ILE 216 Cb 0.50 -0.89 -0.00 0.00 -0.71 0.00 0.00 39.64 38.54 1rqk n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1rqk n PRO 217 N 3.74 1.63 -3.52 0.38 -0.02 -1.26 -5.01 135.00 130.94 1rqk n PRO 217 Ca 0.23 0.58 -0.19 0.00 -2.02 0.00 0.00 63.50 62.09 1rqk n PRO 217 Cb 0.13 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 1rqk n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rqk s THR 218 N -1.16 4.17 0.12 3.45 -4.23 -1.26 -4.79 115.64 111.94 1rqk s THR 218 Ca 0.59 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.14 1rqk s THR 218 Cb -0.60 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 1rqk s THR 218 CO 0.59 -0.17 0.11 0.27 -0.54 0.00 0.00 174.62 174.89 1rqk s ILE 219 N -2.16 4.57 0.03 2.99 -4.36 -1.26 -5.01 121.20 116.00 1rqk s ILE 219 Ca 0.44 -0.88 -0.04 0.00 -0.26 0.00 0.00 60.65 59.91 1rqk s ILE 219 Cb -0.09 -3.26 -0.28 0.00 1.25 0.00 0.00 42.46 40.07 1rqk s ILE 219 CO 0.31 0.02 0.96 0.07 0.24 0.00 0.00 174.94 176.54 1rqk h LYS 220 N 2.88 0.26 -6.23 0.37 2.10 -2.00 -3.44 116.57 110.52 1rqk h LYS 220 Ca -0.47 -0.45 -0.69 0.00 -2.00 0.00 0.00 60.65 57.04 1rqk h LYS 220 Cb 1.18 0.17 -0.20 0.00 -0.90 0.00 0.00 32.23 32.47 1rqk h LYS 220 CO 0.65 1.15 -0.72 0.45 -2.00 0.00 0.00 179.45 178.98 1rqk s SER 221 N -7.05 4.41 0.00 7.07 0.15 -1.26 -5.03 113.70 111.99 1rqk s SER 221 Ca -0.07 -0.10 0.23 0.00 0.70 0.00 0.00 55.95 56.70 1rqk s SER 221 Cb 0.07 -1.03 1.02 0.00 -1.71 0.00 0.00 66.02 64.37 1rqk s SER 221 CO 0.87 0.35 1.73 -0.81 1.20 0.00 0.00 173.24 176.58 1rqk n PRO 222 N 2.17 0.10 -0.14 5.44 -0.04 -1.26 -3.31 135.00 137.96 1rqk n PRO 222 Ca -0.17 0.10 0.08 0.00 -0.04 0.00 0.00 63.50 63.46 1rqk n PRO 222 Cb 0.53 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.63 1rqk n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1rqk n THR 223 N -1.44 1.76 -3.59 0.52 -2.24 -1.26 -4.92 114.28 103.12 1rqk n THR 223 Ca 0.07 -1.89 -0.14 0.00 -2.27 0.00 0.00 64.05 59.82 1rqk n THR 223 Cb 0.24 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 1rqk n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1rqk s GLU 224 N -2.43 1.01 -0.04 -0.78 -1.05 -1.21 -4.62 118.70 109.57 1rqk s GLU 224 Ca 0.28 -0.23 0.05 0.00 -0.15 0.00 0.00 54.97 54.92 1rqk s GLU 224 Cb 0.23 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 34.36 1rqk s GLU 224 CO 0.04 -0.36 -0.18 0.08 0.95 0.00 0.00 175.26 175.80 1rqk s VAL 225 N -2.36 2.77 0.46 1.83 1.01 -1.26 -4.39 120.40 118.46 1rqk s VAL 225 Ca -0.06 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1rqk s VAL 225 Cb -0.01 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1rqk s VAL 225 CO -0.01 0.59 0.70 0.42 0.00 0.00 0.00 175.10 176.80 1rqk s THR 226 N -0.68 4.15 0.36 3.92 -4.23 -1.26 -4.14 115.64 113.76 1rqk s THR 226 Ca 0.11 -0.35 0.03 0.00 -1.18 0.00 0.00 61.69 60.30 1rqk s THR 226 Cb -0.10 -3.55 0.26 0.00 1.34 0.00 0.00 72.50 70.44 1rqk s THR 226 CO 0.00 -0.43 2.02 -0.07 -0.54 0.00 0.00 174.62 175.60 1rqk h LEU 227 N 0.33 0.68 -0.47 4.79 3.38 -1.10 -0.08 115.31 122.84 1rqk h LEU 227 Ca -0.46 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 1rqk h LEU 227 Cb 1.24 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1rqk h LEU 227 CO 0.59 0.50 0.05 0.25 0.09 0.00 0.00 178.44 179.91 1rqk h LEU 228 N 0.80 0.77 -1.00 1.67 5.85 -1.47 -2.30 115.31 119.63 1rqk h LEU 228 Ca 0.21 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 1rqk h LEU 228 Cb -0.08 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1rqk h LEU 228 CO -0.05 0.86 -0.27 -0.33 -0.34 0.00 0.00 178.44 178.32 1rqk h GLU 229 N 0.66 0.40 -0.24 1.25 5.08 -1.63 -1.51 114.58 118.59 1rqk h GLU 229 Ca 0.14 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1rqk h GLU 229 Cb 0.44 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1rqk h GLU 229 CO 0.02 0.64 0.01 0.93 -1.00 0.00 0.00 179.01 179.61 1rqk h GLU 230 N 0.35 0.42 -0.58 2.33 5.08 -0.95 -1.00 114.58 120.23 1rqk h GLU 230 Ca 0.05 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1rqk h GLU 230 Cb 0.66 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1rqk h GLU 230 CO 0.05 0.58 0.36 -0.44 -1.00 0.00 0.00 179.01 178.56 1rqk h ASP 231 N 0.20 0.68 -0.59 1.42 5.19 -1.15 0.14 116.42 122.31 1rqk h ASP 231 Ca 0.07 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1rqk h ASP 231 Cb 0.39 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.70 1rqk h ASP 231 CO 0.01 0.52 0.24 0.11 -3.12 0.00 0.00 179.24 177.00 1rqk h LYS 232 N 0.78 0.87 0.15 3.56 1.57 -1.15 0.11 116.57 122.46 1rqk h LYS 232 Ca 0.21 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1rqk h LYS 232 Cb -0.05 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1rqk h LYS 232 CO -0.04 0.75 -0.07 0.82 -0.57 0.00 0.00 179.45 180.34 1rqk h ILE 233 N 0.81 0.99 -0.66 1.86 2.04 -0.91 -2.12 117.51 119.52 1rqk h ILE 233 Ca 0.20 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1rqk h ILE 233 Cb 0.20 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1rqk h ILE 233 CO -0.02 0.16 0.29 0.00 0.00 0.00 0.00 178.15 178.58 1rqk h GLY 235 N 0.92 0.56 0.89 0.00 0.00 -0.80 -1.94 103.07 102.69 1rqk h GLY 235 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1rqk h GLY 235 CO -0.02 0.10 -0.08 -1.82 0.00 0.00 0.00 176.54 174.71 1rqk h TYR 236 N 0.41 -0.21 -0.03 5.60 3.20 -1.21 -0.54 116.97 124.18 1rqk h TYR 236 Ca 0.17 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.85 1rqk h TYR 236 Cb 0.08 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1rqk h TYR 236 CO -0.10 -0.13 -0.83 -0.39 -1.64 0.00 0.00 178.16 175.07 1rqk h VAL 237 N -0.18 1.42 -0.48 1.81 -1.51 -1.35 -2.43 116.25 113.52 1rqk h VAL 237 Ca 0.01 -2.36 -0.00 0.00 -1.23 0.00 0.00 66.70 63.11 1rqk h VAL 237 Cb 0.18 2.30 -0.02 0.00 -2.13 0.00 0.00 31.29 31.62 1rqk h VAL 237 CO -0.03 0.70 0.30 0.00 -1.23 0.00 0.00 177.57 177.31 1rqk h ALA 238 N 0.90 1.61 0.00 5.19 0.00 -1.30 -2.91 119.26 122.76 1rqk h ALA 238 Ca -0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1rqk h ALA 238 Cb 1.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1rqk h ALA 238 CO 0.14 0.34 -0.18 0.78 0.00 0.00 0.00 179.25 180.33 1rqk h GLY 239 N 0.69 0.00 2.00 0.00 0.00 -0.59 -2.55 103.07 102.63 1rqk h GLY 239 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1rqk h GLY 239 CO -0.03 0.00 -0.05 -1.33 0.00 0.00 0.00 176.54 175.12 1rqk h GLY 240 N 0.62 0.00 0.83 4.60 0.00 -1.39 -1.12 103.07 106.61 1rqk h GLY 240 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1rqk h GLY 240 CO 0.02 0.00 0.24 1.41 0.00 0.00 0.00 176.54 178.22 1rqk h LEU 241 N 0.00 0.37 0.02 3.11 3.38 -1.49 0.20 115.31 120.90 1rqk h LEU 241 Ca -0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rqk h LEU 241 Cb 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1rqk h LEU 241 CO 0.01 0.27 -0.01 -0.03 0.09 0.00 0.00 178.44 178.76 1rqk h MET 242 N 0.49 -0.03 0.00 1.13 4.05 -1.60 -3.37 114.93 115.60 1rqk h MET 242 Ca 0.18 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1rqk h MET 242 Cb 0.06 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1rqk h MET 242 CO -0.11 0.71 -0.73 1.88 0.23 0.00 0.00 176.91 178.89 1rqk h TYR 243 N -0.90 0.00 0.00 1.39 0.05 -1.17 -3.28 116.97 113.06 1rqk h TYR 243 Ca -0.00 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.59 1rqk h TYR 243 Cb 0.75 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.46 1rqk h TYR 243 CO 0.20 0.00 -1.34 0.00 -1.05 0.00 0.00 178.16 175.97 1rqk h ALA 244 N 2.25 0.66 -0.17 3.88 0.00 -0.80 -3.42 119.26 121.66 1rqk h ALA 244 Ca 0.00 -0.90 0.04 0.00 0.00 0.00 0.00 54.91 54.04 1rqk h ALA 244 Cb 0.88 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1rqk h ALA 244 CO 0.00 1.01 -0.03 0.00 0.00 0.00 0.00 179.25 180.23 1rqk n ALA 245 N -2.40 0.05 -0.35 0.00 0.00 -1.20 -0.58 120.51 116.02 1rqk n ALA 245 Ca -0.09 0.18 0.26 0.00 0.00 0.00 0.00 53.44 53.79 1rqk n ALA 245 Cb 0.87 -0.11 0.51 0.00 0.00 0.00 0.00 19.45 20.71 1rqk n ALA 245 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rqk h PRO 246 N 0.00 0.30 -0.01 0.00 0.13 -1.85 -2.30 132.00 128.27 1rqk h PRO 246 Ca 0.08 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1rqk h PRO 246 Cb 0.14 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 1rqk h PRO 246 CO -0.17 0.20 -0.34 1.63 -0.23 0.00 0.00 178.00 179.09 1rqk n LYS 247 N -4.91 1.02 -2.68 0.86 5.02 0.25 -4.91 118.16 112.82 1rqk n LYS 247 Ca 0.31 -0.73 -0.43 0.00 -2.02 0.00 0.00 58.31 55.45 1rqk n LYS 247 Cb 1.04 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.53 1rqk n LYS 247 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1rqk s ARG 248 N -2.48 3.82 0.46 1.97 3.52 -0.87 -4.00 118.95 121.38 1rqk s ARG 248 Ca 0.22 0.65 -0.19 0.00 -0.13 0.00 0.00 55.73 56.28 1rqk s ARG 248 Cb 0.19 -3.84 -0.10 0.00 -1.56 0.00 0.00 34.95 29.64 1rqk s ARG 248 CO 0.54 -1.14 0.97 0.15 -0.81 0.00 0.00 175.30 175.00 1rqk s LYS 249 N 3.95 4.09 0.00 5.12 1.02 -1.08 -4.99 119.74 127.85 1rqk s LYS 249 Ca 0.44 1.09 0.00 0.00 0.02 0.00 0.00 55.97 57.51 1rqk s LYS 249 Cb -0.10 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1rqk s LYS 249 CO 0.24 -0.15 0.03 0.43 -0.92 0.00 0.00 175.35 174.98