#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ffx n SER 6 N 0.00 3.04 0.31 6.43 2.88 -1.26 -4.87 113.62 120.14 2ffx n SER 6 Ca 0.00 1.09 0.20 0.00 -1.33 0.00 0.00 58.87 58.83 2ffx n SER 6 Cb 0.00 -1.42 0.94 0.00 -0.75 0.00 0.00 64.21 62.98 2ffx n SER 6 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2ffx h GLN 7 N 5.70 0.00 0.00 -1.46 3.07 -2.00 -3.01 115.11 117.41 2ffx h GLN 7 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 2ffx h GLN 7 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 2ffx h GLN 7 CO 0.87 0.01 -1.25 0.44 0.09 0.00 0.00 178.83 178.99 2ffx n ILE 8 N -3.14 0.00 -1.70 1.86 -5.35 -1.26 -5.00 119.36 104.78 2ffx n ILE 8 Ca -0.01 -0.23 -0.44 0.00 -0.27 0.00 0.00 62.75 61.80 2ffx n ILE 8 Cb 0.19 0.60 -0.03 0.00 -1.74 0.00 0.00 39.64 38.65 2ffx n ILE 8 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2ffx n ARG 9 N -1.72 2.53 -3.65 6.28 0.63 -1.14 -4.85 116.66 114.74 2ffx n ARG 9 Ca 0.00 0.91 -0.05 0.00 -0.92 0.00 0.00 57.85 57.80 2ffx n ARG 9 Cb 0.35 -2.73 -0.07 0.00 0.45 0.00 0.00 32.46 30.46 2ffx n ARG 9 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2ffx s GLN 10 N 1.16 0.49 -1.59 -0.14 0.74 -1.26 -4.93 119.66 114.13 2ffx s GLN 10 Ca 0.77 1.25 -0.04 0.00 0.05 0.00 0.00 55.36 57.40 2ffx s GLN 10 Cb -0.57 0.58 0.01 0.00 1.10 0.00 0.00 33.01 34.12 2ffx s GLN 10 CO 0.35 -0.21 0.41 -1.71 -0.55 0.00 0.00 175.29 173.57 2ffx n ASN 11 N 5.28 -5.84 -4.09 6.67 5.15 -1.26 -4.97 115.26 116.20 2ffx n ASN 11 Ca -0.12 -0.20 -0.33 0.00 -0.60 0.00 0.00 54.58 53.33 2ffx n ASN 11 Cb 0.50 -4.77 -0.14 0.00 -0.53 0.00 0.00 39.78 34.85 2ffx n ASN 11 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2ffx s TYR 12 N -3.10 3.50 0.47 1.20 5.04 -1.26 -4.83 117.35 118.37 2ffx s TYR 12 Ca 0.21 -2.45 -0.24 0.00 -2.44 0.00 0.00 57.07 52.16 2ffx s TYR 12 Cb -0.10 -2.59 -0.07 0.00 0.35 0.00 0.00 41.96 39.56 2ffx s TYR 12 CO 0.26 -0.90 1.33 0.45 -1.34 0.00 0.00 175.55 175.35 2ffx s SER 13 N 1.24 5.83 0.54 4.32 0.15 -1.26 -4.90 113.70 119.62 2ffx s SER 13 Ca 0.02 2.70 0.33 0.00 0.70 0.00 0.00 55.95 59.70 2ffx s SER 13 Cb -0.20 -2.64 1.43 0.00 -1.71 0.00 0.00 66.02 62.90 2ffx s SER 13 CO -0.05 -1.19 2.02 0.71 1.20 0.00 0.00 173.24 175.93 2ffx h THR 14 N 1.99 0.16 -0.19 6.45 1.35 -1.99 -1.65 112.91 119.04 2ffx h THR 14 Ca -0.50 -0.56 -0.20 0.00 -0.55 0.00 0.00 66.41 64.60 2ffx h THR 14 Cb 1.27 1.47 0.01 0.00 -1.73 0.00 0.00 68.15 69.17 2ffx h THR 14 CO 0.60 0.05 -0.65 0.44 -0.25 0.00 0.00 175.52 175.71 2ffx h ASP 15 N 0.00 0.90 -0.41 5.36 3.45 -1.99 -1.83 116.42 121.91 2ffx h ASP 15 Ca -0.00 -0.60 -0.14 0.00 0.43 0.00 0.00 57.03 56.73 2ffx h ASP 15 Cb 0.47 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 2ffx h ASP 15 CO 0.01 1.34 -0.28 0.58 -1.57 0.00 0.00 179.24 179.32 2ffx h VAL 16 N 0.51 1.28 -0.42 -1.35 2.07 -1.83 -0.57 116.25 115.94 2ffx h VAL 16 Ca -0.03 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.10 2ffx h VAL 16 Cb 1.28 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 2ffx h VAL 16 CO 0.14 0.48 0.15 -0.08 0.02 0.00 0.00 177.57 178.29 2ffx h GLU 17 N 0.72 0.31 -0.55 1.57 4.81 -1.27 0.22 114.58 120.40 2ffx h GLU 17 Ca 0.08 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 2ffx h GLU 17 Cb 0.86 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 2ffx h GLU 17 CO 0.08 0.21 0.07 0.00 -0.73 0.00 0.00 179.01 178.63 2ffx h ALA 18 N 1.27 0.73 -0.26 2.92 0.00 -1.19 -2.31 119.26 120.41 2ffx h ALA 18 Ca 0.19 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2ffx h ALA 18 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2ffx h ALA 18 CO -0.19 0.48 -0.13 0.00 0.00 0.00 0.00 179.25 179.42 2ffx h ALA 19 N 0.98 1.31 -0.52 0.00 0.00 -0.42 -1.44 119.26 119.17 2ffx h ALA 19 Ca 0.16 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2ffx h ALA 19 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2ffx h ALA 19 CO 0.01 0.46 -0.09 0.28 0.00 0.00 0.00 179.25 179.91 2ffx h VAL 20 N 0.40 1.27 -0.42 0.00 2.07 -0.33 0.19 116.25 119.43 2ffx h VAL 20 Ca 0.08 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.28 2ffx h VAL 20 Cb 0.47 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2ffx h VAL 20 CO 0.03 0.43 -0.06 0.78 0.02 0.00 0.00 177.57 178.77 2ffx h ASN 21 N 0.85 0.70 -0.46 0.57 2.35 -1.01 0.01 115.58 118.59 2ffx h ASN 21 Ca 0.14 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 2ffx h ASN 21 Cb 0.65 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 2ffx h ASN 21 CO 0.05 0.81 -0.14 0.28 -1.65 0.00 0.00 177.43 176.77 2ffx h SER 22 N 0.67 0.92 -0.45 5.81 0.02 -0.97 -2.25 113.55 117.30 2ffx h SER 22 Ca 0.12 -0.37 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 2ffx h SER 22 Cb 0.50 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2ffx h SER 22 CO 0.03 1.08 0.07 0.25 -1.14 0.00 0.00 176.83 177.12 2ffx h LEU 23 N 0.74 0.78 -0.76 5.07 5.85 -0.61 -1.21 115.31 125.17 2ffx h LEU 23 Ca 0.11 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2ffx h LEU 23 Cb 0.70 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2ffx h LEU 23 CO 0.05 0.80 0.48 0.58 -0.34 0.00 0.00 178.44 180.01 2ffx h VAL 24 N 0.78 1.20 -0.40 1.05 2.07 -0.74 -0.04 116.25 120.17 2ffx h VAL 24 Ca 0.16 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 2ffx h VAL 24 Cb 0.37 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2ffx h VAL 24 CO 0.01 0.20 -0.05 -1.13 0.02 0.00 0.00 177.57 176.62 2ffx h ASN 25 N 1.03 0.65 -0.56 0.57 -0.73 -0.82 -0.63 115.58 115.09 2ffx h ASN 25 Ca 0.27 -0.16 -0.09 0.00 1.87 0.00 0.00 56.30 58.20 2ffx h ASN 25 Cb -0.08 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.31 2ffx h ASN 25 CO -0.06 0.75 0.02 0.25 -0.37 0.00 0.00 177.43 178.02 2ffx h LEU 26 N 0.62 0.97 -0.54 0.34 5.85 -0.32 -1.46 115.31 120.78 2ffx h LEU 26 Ca 0.12 -0.26 -0.16 0.00 0.84 0.00 0.00 57.88 58.42 2ffx h LEU 26 Cb 0.47 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2ffx h LEU 26 CO 0.02 1.02 -0.65 1.88 -0.34 0.00 0.00 178.44 180.37 2ffx h TYR 27 N 0.92 0.45 -0.70 1.25 -1.99 -0.67 -1.05 116.97 115.18 2ffx h TYR 27 Ca 0.17 -0.18 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 2ffx h TYR 27 Cb 0.51 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.14 2ffx h TYR 27 CO 0.03 0.89 0.15 -0.07 -0.00 0.00 0.00 178.16 179.16 2ffx h LEU 28 N 0.25 1.08 -0.65 3.88 3.38 -0.88 0.07 115.31 122.44 2ffx h LEU 28 Ca -0.01 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 2ffx h LEU 28 Cb 1.18 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2ffx h LEU 28 CO 0.11 1.05 -0.37 -0.61 0.09 0.00 0.00 178.44 178.71 2ffx h GLN 29 N 1.07 0.64 -0.30 1.13 4.15 -1.15 -2.04 115.11 118.61 2ffx h GLN 29 Ca 0.22 -0.31 -0.08 0.00 0.77 0.00 0.00 58.65 59.24 2ffx h GLN 29 Cb 0.40 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 2ffx h GLN 29 CO 0.01 0.91 -0.14 0.00 -1.93 0.00 0.00 178.83 177.68 2ffx h ALA 30 N 1.06 0.42 -0.71 3.38 0.00 -0.80 -1.32 119.26 121.29 2ffx h ALA 30 Ca 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ffx h ALA 30 Cb 0.88 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2ffx h ALA 30 CO 0.08 0.31 0.44 1.03 0.00 0.00 0.00 179.25 181.10 2ffx h SER 31 N 0.38 0.85 -0.54 0.00 0.87 -0.93 -1.52 113.55 112.66 2ffx h SER 31 Ca 0.07 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 2ffx h SER 31 Cb 0.66 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2ffx h SER 31 CO 0.04 0.65 0.06 0.22 -0.53 0.00 0.00 176.83 177.27 2ffx h TYR 32 N 0.98 0.98 -0.72 2.24 3.20 -1.09 -1.08 116.97 121.48 2ffx h TYR 32 Ca 0.26 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 2ffx h TYR 32 Cb -0.05 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 2ffx h TYR 32 CO 0.00 0.88 0.23 1.15 -1.64 0.00 0.00 178.16 178.78 2ffx h THR 33 N 0.80 1.26 -0.01 1.81 2.02 -0.58 -1.86 112.91 116.35 2ffx h THR 33 Ca 0.16 -0.88 -0.13 0.00 0.77 0.00 0.00 66.41 66.34 2ffx h THR 33 Cb 0.45 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2ffx h THR 33 CO 0.02 0.35 -0.59 1.88 0.37 0.00 0.00 175.52 177.54 2ffx h TYR 34 N 1.07 0.03 -0.42 3.16 0.05 -1.02 -0.55 116.97 119.29 2ffx h TYR 34 Ca 0.23 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.98 2ffx h TYR 34 Cb 0.29 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 2ffx h TYR 34 CO 0.02 0.61 0.16 1.25 -1.05 0.00 0.00 178.16 179.15 2ffx h LEU 35 N 0.02 0.58 -0.52 3.88 5.85 -0.83 0.19 115.31 124.48 2ffx h LEU 35 Ca -0.01 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 2ffx h LEU 35 Cb 1.05 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 2ffx h LEU 35 CO 0.08 0.60 0.15 -1.28 -0.34 0.00 0.00 178.44 177.66 2ffx h SER 36 N 0.53 0.76 -0.56 1.25 0.87 -1.01 -2.01 113.55 113.37 2ffx h SER 36 Ca 0.14 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 2ffx h SER 36 Cb 0.21 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2ffx h SER 36 CO -0.01 0.77 0.18 -0.07 -0.53 0.00 0.00 176.83 177.17 2ffx h LEU 37 N 0.71 0.81 -0.04 2.23 3.38 -0.89 -1.55 115.31 119.96 2ffx h LEU 37 Ca 0.17 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2ffx h LEU 37 Cb 0.29 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2ffx h LEU 37 CO -0.00 0.80 -0.09 1.23 0.09 0.00 0.00 178.44 180.46 2ffx h GLY 38 N 0.78 -0.07 2.00 0.83 0.00 -0.33 -2.73 103.07 103.56 2ffx h GLY 38 Ca 0.18 0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.57 2ffx h GLY 38 CO -0.01 -0.10 -0.27 0.74 0.00 0.00 0.00 176.54 176.90 2ffx h PHE 39 N -0.14 0.00 -0.47 5.60 -1.00 -1.31 -3.08 116.94 116.55 2ffx h PHE 39 Ca 0.05 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 2ffx h PHE 39 Cb 0.21 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 2ffx h PHE 39 CO -0.18 0.27 0.23 -0.92 -1.61 0.00 0.00 178.31 176.10 2ffx h TYR 40 N 0.00 0.66 0.00 -0.55 3.20 -1.00 -1.38 116.97 117.90 2ffx h TYR 40 Ca -0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2ffx h TYR 40 Cb 0.93 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.99 2ffx h TYR 40 CO 0.00 0.52 0.00 1.19 -1.64 0.00 0.00 178.16 178.23 2ffx n PHE 41 N -4.65 0.00 1.03 -3.82 3.72 -1.05 -1.91 117.46 110.78 2ffx n PHE 41 Ca 0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.52 2ffx n PHE 41 Cb 0.10 -0.04 0.03 0.00 -0.94 0.00 0.00 39.48 38.64 2ffx n PHE 41 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2ffx n ASP 42 N -1.04 1.18 -4.75 4.37 4.64 -0.54 -1.81 116.55 118.60 2ffx n ASP 42 Ca 0.17 -0.99 -0.38 0.00 -1.38 0.00 0.00 54.79 52.21 2ffx n ASP 42 Cb 0.10 0.63 0.04 0.00 -1.04 0.00 0.00 41.12 40.85 2ffx n ASP 42 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 2ffx s ARG 43 N -2.81 3.17 0.56 -0.67 0.52 -0.80 -4.71 118.95 114.22 2ffx s ARG 43 Ca 0.13 2.23 0.33 0.00 -0.52 0.00 0.00 55.73 57.90 2ffx s ARG 43 Cb 0.17 -2.27 1.64 0.00 0.52 0.00 0.00 34.95 35.01 2ffx s ARG 43 CO 0.72 -1.16 2.11 0.38 0.02 0.00 0.00 175.30 177.37 2ffx h ASP 44 N 1.50 0.00 -0.61 0.23 2.03 -1.92 0.27 116.42 117.92 2ffx h ASP 44 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 2ffx h ASP 44 Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 2ffx h ASP 44 CO 0.57 0.06 0.00 -0.90 -1.03 0.00 0.00 179.24 177.94 2ffx n ASP 45 N -3.33 4.23 0.06 4.15 3.85 -1.26 -4.33 116.55 119.92 2ffx n ASP 45 Ca -0.01 -2.33 0.00 0.00 -0.71 0.00 0.00 54.79 51.74 2ffx n ASP 45 Cb 0.23 -0.53 0.00 0.00 -1.35 0.00 0.00 41.12 39.46 2ffx n ASP 45 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 2ffx n VAL 46 N 1.10 0.58 -3.85 2.12 0.31 -0.80 -5.10 118.33 112.69 2ffx n VAL 46 Ca 0.23 0.19 -0.30 0.00 -0.01 0.00 0.00 64.34 64.45 2ffx n VAL 46 Cb 0.77 -1.21 0.01 0.00 -0.91 0.00 0.00 33.84 32.50 2ffx n VAL 46 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ffx n ALA 47 N -3.30 -2.75 -3.71 3.52 0.00 0.89 -4.97 120.51 110.19 2ffx n ALA 47 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 53.44 52.80 2ffx n ALA 47 Cb 0.10 -1.30 -0.12 0.00 0.00 0.00 0.00 19.45 18.12 2ffx n ALA 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ffx s LEU 48 N -5.64 2.99 0.21 0.00 1.43 -0.75 -5.00 118.68 111.92 2ffx s LEU 48 Ca 0.14 -2.96 -0.09 0.00 -1.03 0.00 0.00 54.13 50.19 2ffx s LEU 48 Cb -0.08 -1.09 0.28 0.00 0.03 0.00 0.00 46.19 45.33 2ffx s LEU 48 CO 0.91 -0.21 1.75 -0.08 0.23 0.00 0.00 176.35 178.95 2ffx h GLU 49 N 6.29 0.42 -0.82 1.70 4.81 -1.94 -0.79 114.58 124.25 2ffx h GLU 49 Ca 0.06 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2ffx h GLU 49 Cb 0.89 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.13 2ffx h GLU 49 CO 0.52 0.28 0.54 0.78 -0.73 0.00 0.00 179.01 180.41 2ffx h GLY 50 N 0.44 1.16 1.06 1.92 0.00 -1.81 0.55 103.07 106.38 2ffx h GLY 50 Ca 0.31 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 47.05 2ffx h GLY 50 CO -0.29 0.40 -0.48 -2.08 0.00 0.00 0.00 176.54 174.09 2ffx h VAL 51 N 1.08 1.30 -0.42 4.60 2.07 -1.67 -1.68 116.25 121.53 2ffx h VAL 51 Ca 0.31 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 66.16 2ffx h VAL 51 Cb -0.07 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2ffx h VAL 51 CO -0.08 0.54 0.28 -1.28 0.02 0.00 0.00 177.57 177.05 2ffx h SER 52 N 0.52 0.48 -0.72 0.57 0.87 -0.61 -2.20 113.55 112.46 2ffx h SER 52 Ca 0.01 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2ffx h SER 52 Cb 1.08 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.89 2ffx h SER 52 CO 0.11 0.35 0.32 0.45 -0.53 0.00 0.00 176.83 177.52 2ffx h HIS 53 N 0.57 1.07 -0.21 2.24 3.86 -0.88 -0.78 115.15 121.02 2ffx h HIS 53 Ca 0.15 -0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 2ffx h HIS 53 Cb -0.07 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.04 2ffx h HIS 53 CO -0.05 0.81 -0.06 0.35 0.86 0.00 0.00 177.93 179.85 2ffx h PHE 54 N 1.02 -0.12 -0.13 2.45 3.57 -0.90 -0.36 116.94 122.47 2ffx h PHE 54 Ca 0.24 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.58 2ffx h PHE 54 Cb 0.17 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2ffx h PHE 54 CO 0.01 -0.10 -0.67 0.74 -2.23 0.00 0.00 178.31 176.06 2ffx h PHE 55 N -0.01 0.69 -0.36 0.41 0.05 -1.27 -2.65 116.94 113.80 2ffx h PHE 55 Ca 0.10 -0.28 -0.05 0.00 3.82 0.00 0.00 57.97 61.56 2ffx h PHE 55 Cb 0.16 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 37.98 2ffx h PHE 55 CO -0.23 1.04 0.00 0.00 -0.18 0.00 0.00 178.31 178.95 2ffx h ARG 56 N 0.37 0.56 -0.31 1.51 3.08 -0.88 -1.00 114.38 117.71 2ffx h ARG 56 Ca -0.02 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 2ffx h ARG 56 Cb 1.25 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 2ffx h ARG 56 CO 0.12 0.58 -0.26 0.93 -1.07 0.00 0.00 179.97 180.27 2ffx h GLU 57 N 0.54 0.62 -0.06 0.04 4.39 -0.96 -2.66 114.58 116.48 2ffx h GLU 57 Ca 0.11 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 59.45 2ffx h GLU 57 Cb 0.34 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2ffx h GLU 57 CO 0.01 0.82 -0.46 -0.07 -1.16 0.00 0.00 179.01 178.15 2ffx h LEU 58 N 0.54 0.16 -0.84 1.33 3.38 -1.00 -1.60 115.31 117.28 2ffx h LEU 58 Ca 0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2ffx h LEU 58 Cb 0.73 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2ffx h LEU 58 CO 0.06 0.60 0.40 0.00 0.09 0.00 0.00 178.44 179.59 2ffx h ALA 59 N 1.40 1.08 -0.39 1.53 0.00 -0.88 -0.67 119.26 121.34 2ffx h ALA 59 Ca 0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2ffx h ALA 59 Cb 0.86 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2ffx h ALA 59 CO 0.07 0.65 -0.22 1.49 0.00 0.00 0.00 179.25 181.24 2ffx h GLU 60 N 1.20 0.77 -0.68 0.00 4.81 -1.17 -2.23 114.58 117.27 2ffx h GLU 60 Ca 0.29 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2ffx h GLU 60 Cb 0.13 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 2ffx h GLU 60 CO -0.04 0.92 0.21 0.93 -0.73 0.00 0.00 179.01 180.30 2ffx h GLU 61 N 0.67 1.06 -0.09 1.92 4.39 -0.61 -1.79 114.58 120.14 2ffx h GLU 61 Ca 0.09 -0.23 -0.13 0.00 0.34 0.00 0.00 59.36 59.43 2ffx h GLU 61 Cb 0.73 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2ffx h GLU 61 CO 0.06 0.92 -0.51 0.87 -1.16 0.00 0.00 179.01 179.20 2ffx h LYS 62 N 1.00 0.23 -0.56 2.33 1.79 -1.04 -2.03 116.57 118.29 2ffx h LYS 62 Ca 0.22 -0.13 -0.06 0.00 -2.18 0.00 0.00 60.65 58.50 2ffx h LYS 62 Cb 0.31 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2ffx h LYS 62 CO -0.01 0.69 0.13 -0.09 -1.08 0.00 0.00 179.45 179.09 2ffx h ARG 63 N 0.18 0.90 -0.07 3.15 2.43 -1.06 -1.03 114.38 118.88 2ffx h ARG 63 Ca 0.01 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2ffx h ARG 63 Cb 0.96 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2ffx h ARG 63 CO 0.08 0.84 -0.13 0.93 -1.51 0.00 0.00 179.97 180.18 2ffx h GLU 64 N 0.80 0.11 0.50 0.20 5.08 -1.14 -1.13 114.58 119.01 2ffx h GLU 64 Ca 0.17 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2ffx h GLU 64 Cb 0.35 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2ffx h GLU 64 CO 0.00 0.26 -0.24 0.78 -1.00 0.00 0.00 179.01 178.81 2ffx h GLY 65 N 0.60 -0.70 2.00 -3.84 0.00 -0.49 -1.26 103.07 99.38 2ffx h GLY 65 Ca 0.02 0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 2ffx h GLY 65 CO 0.02 -0.26 -0.28 0.10 0.00 0.00 0.00 176.54 176.12 2ffx h TYR 66 N -0.85 0.00 -0.27 5.60 -0.00 -1.08 -1.77 116.97 118.59 2ffx h TYR 66 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.52 2ffx h TYR 66 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.31 2ffx h TYR 66 CO -0.01 0.28 -0.41 0.93 -0.00 0.00 0.00 178.16 178.96 2ffx h GLU 67 N 0.00 0.65 -0.37 0.10 5.08 -1.15 -0.54 114.58 118.36 2ffx h GLU 67 Ca -0.00 -0.34 -0.15 0.00 -1.00 0.00 0.00 59.36 57.87 2ffx h GLU 67 Cb 0.66 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2ffx h GLU 67 CO 0.04 0.94 -0.35 -0.09 -1.00 0.00 0.00 179.01 178.55 2ffx h ARG 68 N 0.53 0.85 -0.65 2.33 2.43 -0.79 -1.25 114.38 117.83 2ffx h ARG 68 Ca 0.04 -0.42 -0.08 0.00 -0.81 0.00 0.00 59.98 58.71 2ffx h ARG 68 Cb 0.94 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 2ffx h ARG 68 CO 0.08 1.06 0.08 -0.07 -1.51 0.00 0.00 179.97 179.61 2ffx h LEU 69 N 0.70 1.06 -0.57 3.80 3.38 -1.16 -1.57 115.31 120.95 2ffx h LEU 69 Ca 0.07 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2ffx h LEU 69 Cb 0.91 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2ffx h LEU 69 CO 0.08 1.07 0.10 -0.07 0.09 0.00 0.00 178.44 179.71 2ffx h LEU 70 N 1.02 0.89 -0.58 1.67 4.07 -0.95 -0.24 115.31 121.19 2ffx h LEU 70 Ca 0.20 -0.25 -0.05 0.00 0.08 0.00 0.00 57.88 57.85 2ffx h LEU 70 Cb 0.47 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 2ffx h LEU 70 CO 0.02 0.92 0.17 0.50 -1.08 0.00 0.00 178.44 178.97 2ffx h LYS 71 N 0.83 0.90 -0.53 1.13 3.64 -1.03 -2.52 116.57 118.99 2ffx h LYS 71 Ca 0.17 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2ffx h LYS 71 Cb 0.40 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2ffx h LYS 71 CO 0.01 0.82 -0.04 1.98 -2.27 0.00 0.00 179.45 179.94 2ffx h MET 72 N 0.82 0.95 -0.40 1.90 4.05 -1.07 -0.95 114.93 120.22 2ffx h MET 72 Ca 0.19 -0.30 0.06 0.00 -0.28 0.00 0.00 59.70 59.36 2ffx h MET 72 Cb 0.29 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.96 2ffx h MET 72 CO -0.00 0.96 0.09 0.37 0.23 0.00 0.00 176.91 178.55 2ffx h GLN 73 N 0.86 0.21 -0.25 0.39 5.75 -0.77 -1.08 115.11 120.22 2ffx h GLN 73 Ca 0.15 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.51 2ffx h GLN 73 Cb 0.57 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 2ffx h GLN 73 CO 0.03 0.14 -0.36 -0.91 -2.65 0.00 0.00 178.83 175.08 2ffx h ASN 74 N 0.22 0.59 -0.36 -0.69 2.35 -1.19 0.16 115.58 116.66 2ffx h ASN 74 Ca 0.19 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2ffx h ASN 74 Cb 0.22 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2ffx h ASN 74 CO -0.24 0.90 0.15 1.56 -1.65 0.00 0.00 177.43 178.14 2ffx h GLN 75 N 0.47 0.60 -0.00 0.81 4.20 -0.40 -2.34 115.11 118.45 2ffx h GLN 75 Ca 0.05 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2ffx h GLN 75 Cb 0.85 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2ffx h GLN 75 CO 0.07 0.51 -0.18 0.54 -0.67 0.00 0.00 178.83 179.11 2ffx n ARG 76 N -4.36 0.54 -0.38 1.46 5.12 -0.48 -4.91 116.66 113.65 2ffx n ARG 76 Ca 0.03 -0.22 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 2ffx n ARG 76 Cb 0.16 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 2ffx n ARG 76 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ffx n GLY 77 N 1.35 0.75 3.80 -0.13 0.00 -0.88 -4.16 105.19 105.92 2ffx n GLY 77 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2ffx n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ffx s GLY 78 N -1.70 1.59 -0.14 -0.02 0.00 0.52 -4.82 107.32 102.75 2ffx s GLY 78 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.13 2ffx s GLY 78 CO 0.00 -0.01 -0.16 0.50 0.00 0.00 0.00 173.10 173.43 2ffx s ARG 79 N -5.35 2.44 0.23 2.90 1.81 -1.26 -4.30 118.95 115.42 2ffx s ARG 79 Ca 0.65 -0.62 -0.30 0.00 -1.72 0.00 0.00 55.73 53.73 2ffx s ARG 79 Cb -0.14 -2.15 -0.10 0.00 -0.45 0.00 0.00 34.95 32.12 2ffx s ARG 79 CO 0.53 -0.17 1.48 0.00 -0.68 0.00 0.00 175.30 176.46 2ffx s ALA 80 N 1.29 3.67 -0.13 2.13 0.00 -1.26 -4.99 121.76 122.47 2ffx s ALA 80 Ca 0.01 1.36 -0.02 0.00 0.00 0.00 0.00 51.96 53.32 2ffx s ALA 80 Cb -0.14 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.44 2ffx s ALA 80 CO -0.08 -0.77 -0.01 -1.17 0.00 0.00 0.00 175.76 173.73 2ffx s LEU 81 N -0.06 1.05 -0.01 0.00 2.96 -1.26 -5.14 118.68 116.22 2ffx s LEU 81 Ca 0.62 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 54.03 2ffx s LEU 81 Cb -0.43 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 2ffx s LEU 81 CO 0.41 -0.22 0.21 -0.36 -1.32 0.00 0.00 176.35 175.08 2ffx s PHE 82 N 1.84 3.56 0.35 5.38 0.08 -1.26 -4.88 117.98 123.05 2ffx s PHE 82 Ca 0.02 0.44 0.05 0.00 0.12 0.00 0.00 56.93 57.57 2ffx s PHE 82 Cb -0.14 -1.89 -0.07 0.00 -0.57 0.00 0.00 43.02 40.34 2ffx s PHE 82 CO -0.07 0.64 0.03 -0.65 -0.10 0.00 0.00 175.22 175.07 2ffx s GLN 83 N -1.83 1.74 0.56 0.44 -1.52 -1.26 -5.11 119.66 112.68 2ffx s GLN 83 Ca 0.27 -1.96 -0.20 0.00 -1.95 0.00 0.00 55.36 51.52 2ffx s GLN 83 Cb -0.13 -1.15 -0.06 0.00 -0.22 0.00 0.00 33.01 31.46 2ffx s GLN 83 CO 0.17 -0.12 1.03 -0.25 -0.25 0.00 0.00 175.29 175.88 2ffx n ASP 84 N -0.77 1.15 -4.47 5.90 10.43 -1.26 -4.95 116.55 122.58 2ffx n ASP 84 Ca -0.03 0.87 -0.40 0.00 2.57 0.00 0.00 54.79 57.80 2ffx n ASP 84 Cb 0.66 -1.41 -0.11 0.00 1.84 0.00 0.00 41.12 42.10 2ffx n ASP 84 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2ffx s ILE 85 N -1.44 4.91 0.28 0.53 1.01 -1.26 -5.06 121.20 120.17 2ffx s ILE 85 Ca 0.73 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 2ffx s ILE 85 Cb -0.44 -3.53 -0.10 0.00 0.01 0.00 0.00 42.46 38.40 2ffx s ILE 85 CO 0.49 0.01 1.46 -0.75 0.00 0.00 0.00 174.94 176.15 2ffx s LYS 86 N 1.66 4.23 0.84 2.79 2.20 -1.26 -4.99 119.74 125.21 2ffx s LYS 86 Ca 0.05 2.38 -0.10 0.00 -0.36 0.00 0.00 55.97 57.93 2ffx s LYS 86 Cb -0.17 -3.07 0.10 0.00 -1.51 0.00 0.00 37.83 33.17 2ffx s LYS 86 CO 0.08 -0.45 1.11 -1.59 -0.36 0.00 0.00 175.35 174.14 2ffx s LYS 87 N -0.73 1.66 0.74 4.03 -2.85 -1.26 -4.84 119.74 116.49 2ffx s LYS 87 Ca 0.58 1.27 -0.15 0.00 -1.00 0.00 0.00 55.97 56.67 2ffx s LYS 87 Cb -0.43 -1.82 0.03 0.00 -2.06 0.00 0.00 37.83 33.55 2ffx s LYS 87 CO 0.47 -2.09 1.14 -2.30 0.10 0.00 0.00 175.35 172.68 2ffx n PRO 88 N -3.84 0.52 0.26 1.78 -0.02 -1.26 -4.91 135.00 127.54 2ffx n PRO 88 Ca 0.10 0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 2ffx n PRO 88 Cb 0.53 -2.39 0.73 0.00 -0.02 0.00 0.00 33.50 32.35 2ffx n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ffx h ALA 89 N -0.33 1.31 -2.77 3.55 0.00 -1.98 -3.44 119.26 115.60 2ffx h ALA 89 Ca -0.48 -0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.05 2ffx h ALA 89 Cb 1.32 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.91 2ffx h ALA 89 CO 0.48 0.14 -0.73 -1.21 0.00 0.00 0.00 179.25 177.94 2ffx s GLU 90 N -4.23 0.74 -0.12 0.00 2.02 -1.26 -5.03 118.70 110.82 2ffx s GLU 90 Ca -0.03 -1.07 0.16 0.00 0.02 0.00 0.00 54.97 54.05 2ffx s GLU 90 Cb 0.13 -0.38 -0.24 0.00 0.10 0.00 0.00 34.13 33.74 2ffx s GLU 90 CO 0.59 0.05 0.38 -0.25 0.02 0.00 0.00 175.26 176.04 2ffx n ASP 91 N 0.73 0.43 -4.15 -0.19 8.00 -1.26 -4.89 116.55 115.21 2ffx n ASP 91 Ca -0.17 0.20 -0.24 0.00 0.71 0.00 0.00 54.79 55.28 2ffx n ASP 91 Cb 0.57 0.51 -0.15 0.00 -0.02 0.00 0.00 41.12 42.03 2ffx n ASP 91 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2ffx s GLU 92 N -2.58 1.41 -0.06 -1.24 2.02 -1.26 -5.00 118.70 112.00 2ffx s GLU 92 Ca -0.07 -0.60 0.14 0.00 0.02 0.00 0.00 54.97 54.46 2ffx s GLU 92 Cb 0.07 -1.35 0.45 0.00 0.10 0.00 0.00 34.13 33.41 2ffx s GLU 92 CO 0.83 0.34 1.38 0.91 0.02 0.00 0.00 175.26 178.74 2ffx n TRP 93 N 2.73 0.78 -3.55 1.61 7.02 -1.26 -5.09 117.44 119.69 2ffx n TRP 93 Ca -0.15 -0.60 0.00 0.00 -1.02 0.00 0.00 57.50 55.73 2ffx n TRP 93 Cb 0.54 -0.12 0.00 0.00 -2.42 0.00 0.00 31.31 29.31 2ffx n TRP 93 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2ffx n GLY 94 N 0.50 1.15 4.00 6.99 0.00 -1.26 -3.42 105.19 113.14 2ffx n GLY 94 Ca 0.17 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 2ffx n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ffx s LYS 95 N 0.00 2.60 0.23 1.61 1.02 -1.26 -4.90 119.74 119.04 2ffx s LYS 95 Ca 0.00 -1.44 -0.07 0.00 0.02 0.00 0.00 55.97 54.47 2ffx s LYS 95 Cb 0.00 -2.65 0.40 0.00 -0.52 0.00 0.00 37.83 35.06 2ffx s LYS 95 CO 0.00 -0.47 1.67 1.15 -0.92 0.00 0.00 175.35 176.78 2ffx h THR 96 N 0.54 0.48 -0.84 2.17 2.02 -1.98 -1.22 112.91 114.08 2ffx h THR 96 Ca -0.37 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 66.77 2ffx h THR 96 Cb 1.28 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 2ffx h THR 96 CO 0.46 0.03 0.55 -0.65 0.37 0.00 0.00 175.52 176.28 2ffx h PRO 97 N 0.19 1.08 -0.55 6.66 0.11 -1.95 -0.31 132.00 137.22 2ffx h PRO 97 Ca 0.38 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.38 2ffx h PRO 97 Cb 0.64 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 2ffx h PRO 97 CO -0.54 0.71 0.15 -0.44 -0.21 0.00 0.00 178.00 177.67 2ffx h ASP 98 N 1.11 0.82 -0.46 -2.05 5.19 -1.55 -1.66 116.42 117.83 2ffx h ASP 98 Ca 0.32 -0.22 -0.10 0.00 -0.62 0.00 0.00 57.03 56.40 2ffx h ASP 98 Cb -0.08 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.19 2ffx h ASP 98 CO -0.08 0.83 -0.11 0.00 -3.12 0.00 0.00 179.24 176.76 2ffx h ALA 99 N 1.03 0.63 -0.22 3.45 0.00 -0.91 -2.15 119.26 121.09 2ffx h ALA 99 Ca 0.18 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2ffx h ALA 99 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ffx h ALA 99 CO -0.00 0.52 -0.19 1.98 0.00 0.00 0.00 179.25 181.57 2ffx h MET 100 N 0.72 0.37 -0.42 0.00 -1.53 -0.96 -0.24 114.93 112.88 2ffx h MET 100 Ca 0.12 -0.11 -0.14 0.00 -3.44 0.00 0.00 59.70 56.12 2ffx h MET 100 Cb 0.65 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.66 2ffx h MET 100 CO 0.04 0.55 -0.30 0.87 0.14 0.00 0.00 176.91 178.22 2ffx h LYS 101 N 0.34 0.95 -0.45 0.39 1.57 -1.10 -0.14 116.57 118.13 2ffx h LYS 101 Ca 0.06 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 2ffx h LYS 101 Cb 0.53 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2ffx h LYS 101 CO 0.03 1.12 0.16 0.00 -0.57 0.00 0.00 179.45 180.20 2ffx h ALA 102 N 0.81 0.59 -0.88 3.86 0.00 -1.04 -0.98 119.26 121.62 2ffx h ALA 102 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2ffx h ALA 102 Cb 0.89 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2ffx h ALA 102 CO 0.08 0.22 0.55 0.00 0.00 0.00 0.00 179.25 180.10 2ffx h ALA 103 N 1.01 1.13 -0.50 0.00 0.00 -0.86 -0.97 119.26 119.06 2ffx h ALA 103 Ca 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2ffx h ALA 103 Cb 0.23 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2ffx h ALA 103 CO -0.01 0.57 0.19 1.98 0.00 0.00 0.00 179.25 181.98 2ffx h MET 104 N 1.21 0.75 -0.63 0.00 -1.53 -0.64 -1.07 114.93 113.02 2ffx h MET 104 Ca 0.32 -0.14 -0.06 0.00 -3.44 0.00 0.00 59.70 56.38 2ffx h MET 104 Cb -0.07 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 30.83 2ffx h MET 104 CO -0.06 0.68 0.16 0.00 0.14 0.00 0.00 176.91 177.83 2ffx h ALA 105 N 1.04 1.10 -0.35 0.39 0.00 -0.80 -1.53 119.26 119.10 2ffx h ALA 105 Ca 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2ffx h ALA 105 Cb 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ffx h ALA 105 CO -0.01 0.60 0.13 1.25 0.00 0.00 0.00 179.25 181.22 2ffx h LEU 106 N 0.94 0.49 -0.98 0.00 5.85 -0.84 -1.78 115.31 118.98 2ffx h LEU 106 Ca 0.20 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2ffx h LEU 106 Cb 0.32 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2ffx h LEU 106 CO -0.00 0.53 0.08 -0.33 -0.34 0.00 0.00 178.44 178.38 2ffx h GLU 107 N 0.41 0.82 -0.26 1.25 4.39 -0.94 -0.62 114.58 119.63 2ffx h GLU 107 Ca 0.12 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 2ffx h GLU 107 Cb 0.20 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2ffx h GLU 107 CO -0.01 0.77 -0.18 0.87 -1.16 0.00 0.00 179.01 179.30 2ffx h LYS 108 N 0.78 0.46 -0.27 2.33 1.57 -1.07 0.15 116.57 120.52 2ffx h LYS 108 Ca 0.16 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2ffx h LYS 108 Cb 0.35 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2ffx h LYS 108 CO 0.01 0.63 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.18 2ffx h LYS 109 N 0.42 0.55 -0.40 3.15 3.64 -0.71 -1.13 116.57 122.09 2ffx h LYS 109 Ca 0.07 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 2ffx h LYS 109 Cb 0.56 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2ffx h LYS 109 CO 0.04 0.80 0.22 -0.07 -2.27 0.00 0.00 179.45 178.16 2ffx h LEU 110 N 0.29 0.50 -1.02 5.20 4.07 -0.80 -1.57 115.31 121.98 2ffx h LEU 110 Ca 0.06 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 2ffx h LEU 110 Cb 0.63 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.20 2ffx h LEU 110 CO 0.04 0.45 0.37 -1.13 -1.08 0.00 0.00 178.44 177.09 2ffx h ASN 111 N 0.51 0.96 0.00 -0.43 -1.24 -0.63 -0.49 115.58 114.26 2ffx h ASN 111 Ca 0.14 -0.10 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 2ffx h ASN 111 Cb 0.06 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.85 2ffx h ASN 111 CO -0.02 0.80 -0.35 -0.61 -1.29 0.00 0.00 177.43 175.96 2ffx h GLN 112 N 1.06 0.47 -0.35 6.67 5.75 -0.90 -0.54 115.11 127.28 2ffx h GLN 112 Ca 0.26 -0.21 -0.10 0.00 -0.15 0.00 0.00 58.65 58.45 2ffx h GLN 112 Cb 0.09 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 2ffx h GLN 112 CO -0.04 0.76 -0.20 0.00 -2.65 0.00 0.00 178.83 176.71 2ffx h ALA 113 N 1.23 1.00 -0.39 3.38 0.00 -0.49 0.43 119.26 124.42 2ffx h ALA 113 Ca 0.05 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 2ffx h ALA 113 Cb 0.80 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2ffx h ALA 113 CO 0.06 0.59 -0.28 -0.07 0.00 0.00 0.00 179.25 179.56 2ffx h LEU 114 N 0.59 0.93 -0.74 0.00 3.38 -0.72 -1.13 115.31 117.61 2ffx h LEU 114 Ca 0.09 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 2ffx h LEU 114 Cb 0.66 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2ffx h LEU 114 CO 0.05 1.17 -0.05 -0.07 0.09 0.00 0.00 178.44 179.62 2ffx h LEU 115 N 0.70 0.89 -0.64 1.67 3.38 -0.84 -0.41 115.31 120.06 2ffx h LEU 115 Ca 0.08 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2ffx h LEU 115 Cb 0.86 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2ffx h LEU 115 CO 0.08 0.98 0.08 0.44 0.09 0.00 0.00 178.44 180.10 2ffx h ASP 116 N 0.82 1.04 -0.56 -0.43 3.45 -0.78 -0.89 116.42 119.07 2ffx h ASP 116 Ca 0.14 -0.27 -0.08 0.00 0.43 0.00 0.00 57.03 57.25 2ffx h ASP 116 Cb 0.57 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.04 2ffx h ASP 116 CO 0.03 1.05 0.05 0.25 -1.57 0.00 0.00 179.24 179.05 2ffx h LEU 117 N 0.99 0.93 -0.82 1.55 6.46 -0.90 -0.94 115.31 122.57 2ffx h LEU 117 Ca 0.19 -0.28 -0.05 0.00 -0.12 0.00 0.00 57.88 57.61 2ffx h LEU 117 Cb 0.47 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.12 2ffx h LEU 117 CO 0.02 0.98 0.24 -0.74 -0.62 0.00 0.00 178.44 178.32 2ffx h HIS 118 N 0.85 1.15 -0.59 1.25 2.76 -0.80 0.09 115.15 119.86 2ffx h HIS 118 Ca 0.17 -0.11 -0.10 0.00 -2.20 0.00 0.00 60.37 58.13 2ffx h HIS 118 Cb 0.47 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2ffx h HIS 118 CO 0.03 0.90 -0.03 0.00 -1.30 0.00 0.00 177.93 177.53 2ffx h ALA 119 N 1.18 0.83 -0.33 5.26 0.00 -0.92 0.02 119.26 125.30 2ffx h ALA 119 Ca 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2ffx h ALA 119 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2ffx h ALA 119 CO -0.01 0.67 0.13 1.25 0.00 0.00 0.00 179.25 181.29 2ffx h LEU 120 N 0.95 0.46 -0.98 0.00 5.85 -0.75 0.15 115.31 120.99 2ffx h LEU 120 Ca 0.16 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2ffx h LEU 120 Cb 0.59 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2ffx h LEU 120 CO 0.04 0.50 0.34 1.23 -0.34 0.00 0.00 178.44 180.21 2ffx h GLY 121 N 0.39 1.15 1.13 3.75 0.00 -0.75 -1.30 103.07 107.44 2ffx h GLY 121 Ca 0.11 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 2ffx h GLY 121 CO -0.01 0.54 0.09 0.23 0.00 0.00 0.00 176.54 177.40 2ffx h SER 122 N 1.06 1.01 0.46 0.19 0.87 -0.64 0.54 113.55 117.05 2ffx h SER 122 Ca 0.26 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 2ffx h SER 122 Cb 0.13 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2ffx h SER 122 CO -0.03 1.01 -0.31 0.00 -0.53 0.00 0.00 176.83 176.97 2ffx h ALA 123 N 1.10 1.29 -0.66 6.23 0.00 -0.35 -1.91 119.26 124.96 2ffx h ALA 123 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ffx h ALA 123 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ffx h ALA 123 CO 0.01 0.39 0.00 0.54 0.00 0.00 0.00 179.25 180.20 2ffx n ARG 124 N -3.89 3.71 -3.85 0.00 5.12 -0.55 -4.97 116.66 112.23 2ffx n ARG 124 Ca -0.02 -2.90 -0.35 0.00 -1.93 0.00 0.00 57.85 52.66 2ffx n ARG 124 Cb 0.39 -1.89 0.02 0.00 -1.16 0.00 0.00 32.46 29.82 2ffx n ARG 124 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2ffx n THR 125 N 1.18 -4.02 -3.85 0.55 -2.24 -0.45 -4.94 114.28 100.51 2ffx n THR 125 Ca 0.26 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 61.23 2ffx n THR 125 Cb 0.89 -3.19 -0.11 0.00 -2.10 0.00 0.00 70.33 65.81 2ffx n THR 125 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ffx s ASP 126 N -3.33 4.91 0.50 3.42 -1.08 0.06 -4.96 116.67 116.19 2ffx s ASP 126 Ca 0.33 -3.43 0.21 0.00 -0.52 0.00 0.00 52.55 49.13 2ffx s ASP 126 Cb -0.16 -1.71 1.30 0.00 -1.46 0.00 0.00 42.92 40.89 2ffx s ASP 126 CO 0.92 -0.19 2.08 1.55 0.52 0.00 0.00 175.17 180.04 2ffx h PRO 127 N 6.07 0.00 -0.47 4.34 0.13 -1.92 -2.61 132.00 137.53 2ffx h PRO 127 Ca 0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.09 2ffx h PRO 127 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 2ffx h PRO 127 CO 0.73 0.12 -0.07 1.25 -0.23 0.00 0.00 178.00 179.79 2ffx h HIS 128 N 0.00 0.99 -0.35 1.56 2.76 -1.97 -0.87 115.15 117.27 2ffx h HIS 128 Ca -0.00 -0.20 -0.02 0.00 -2.20 0.00 0.00 60.37 57.95 2ffx h HIS 128 Cb 0.24 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 2ffx h HIS 128 CO 0.00 0.95 0.13 1.25 -1.30 0.00 0.00 177.93 178.97 2ffx h LEU 129 N 0.73 0.49 -0.56 0.26 5.85 -1.89 -0.86 115.31 119.34 2ffx h LEU 129 Ca 0.12 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2ffx h LEU 129 Cb 0.61 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2ffx h LEU 129 CO 0.04 0.53 0.36 0.00 -0.34 0.00 0.00 178.44 179.03 2ffx h ASP 131 N 0.72 1.09 -0.25 0.00 3.58 -0.95 -1.66 116.42 118.94 2ffx h ASP 131 Ca 0.21 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 2ffx h ASP 131 Cb -0.05 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.72 2ffx h ASP 131 CO -0.06 0.87 0.14 0.15 -2.88 0.00 0.00 179.24 177.45 2ffx h PHE 132 N 1.22 0.35 -0.61 0.28 3.04 -0.65 -0.45 116.94 120.11 2ffx h PHE 132 Ca 0.31 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.16 2ffx h PHE 132 Cb 0.02 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 2ffx h PHE 132 CO 0.01 0.30 0.02 -0.07 -2.02 0.00 0.00 178.31 176.55 2ffx h LEU 133 N 0.29 1.04 -0.54 0.59 4.07 -1.12 -1.91 115.31 117.72 2ffx h LEU 133 Ca 0.09 -0.30 -0.15 0.00 0.08 0.00 0.00 57.88 57.61 2ffx h LEU 133 Cb 0.07 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 2ffx h LEU 133 CO -0.01 1.08 -0.39 -0.33 -1.08 0.00 0.00 178.44 177.71 2ffx h GLU 134 N 0.96 0.75 -0.10 1.13 5.08 -1.16 -0.32 114.58 120.91 2ffx h GLU 134 Ca 0.18 -0.38 -0.16 0.00 -1.00 0.00 0.00 59.36 57.99 2ffx h GLU 134 Cb 0.53 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.80 2ffx h GLU 134 CO 0.03 1.00 -0.55 1.15 -1.00 0.00 0.00 179.01 179.64 2ffx h THR 135 N 0.61 1.36 -0.01 1.13 2.02 -1.00 -3.39 112.91 113.63 2ffx h THR 135 Ca 0.05 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.37 2ffx h THR 135 Cb 0.94 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2ffx h THR 135 CO 0.09 0.56 -0.34 1.41 0.37 0.00 0.00 175.52 177.61 2ffx n HIS 136 N -4.19 0.00 0.04 3.16 8.25 -0.73 -4.92 115.22 116.83 2ffx n HIS 136 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2ffx n HIS 136 Cb 0.63 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.74 2ffx n HIS 136 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2ffx n PHE 137 N -0.58 -0.46 -0.09 4.41 3.72 -0.30 -4.78 117.46 119.38 2ffx n PHE 137 Ca 0.04 0.08 -0.06 0.00 -0.05 0.00 0.00 57.45 57.46 2ffx n PHE 137 Cb 0.22 0.24 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 2ffx n PHE 137 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2ffx h LEU 138 N 0.00 -0.60 -0.64 4.37 3.38 -1.33 -1.42 115.31 119.08 2ffx h LEU 138 Ca 0.00 0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 2ffx h LEU 138 Cb 0.34 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2ffx h LEU 138 CO 0.00 -0.21 -0.65 -0.78 0.09 0.00 0.00 178.44 176.89 2ffx h ASP 139 N -0.13 0.16 -0.73 -0.43 -0.00 -1.84 -2.54 116.42 110.90 2ffx h ASP 139 Ca 0.17 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.03 57.10 2ffx h ASP 139 Cb 0.39 -0.05 -0.04 0.00 -0.00 0.00 0.00 39.33 39.64 2ffx h ASP 139 CO -0.42 0.77 0.43 -0.08 -0.00 0.00 0.00 179.24 179.94 2ffx h GLU 140 N 0.10 1.00 -0.25 0.28 4.57 -1.76 -1.26 114.58 117.26 2ffx h GLU 140 Ca -0.01 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 2ffx h GLU 140 Cb 1.17 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 2ffx h GLU 140 CO 0.09 0.72 0.02 0.93 -1.18 0.00 0.00 179.01 179.59 2ffx h GLU 141 N 1.00 0.43 -0.66 1.92 4.39 -1.15 -1.84 114.58 118.67 2ffx h GLU 141 Ca 0.26 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.86 2ffx h GLU 141 Cb -0.01 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 2ffx h GLU 141 CO -0.05 0.59 0.41 0.28 -1.16 0.00 0.00 179.01 179.09 2ffx h VAL 142 N 0.22 1.10 -0.47 3.13 2.07 -1.19 0.23 116.25 121.34 2ffx h VAL 142 Ca 0.07 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2ffx h VAL 142 Cb 0.38 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2ffx h VAL 142 CO 0.01 0.15 0.12 0.11 0.02 0.00 0.00 177.57 177.98 2ffx h LYS 143 N 0.82 0.74 -0.47 1.57 1.57 -1.17 -1.24 116.57 118.38 2ffx h LYS 143 Ca 0.26 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2ffx h LYS 143 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2ffx h LYS 143 CO -0.10 0.72 0.16 1.25 -0.57 0.00 0.00 179.45 180.91 2ffx h LEU 144 N 0.62 0.68 -0.87 2.94 5.85 -0.90 -0.98 115.31 122.66 2ffx h LEU 144 Ca 0.15 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 2ffx h LEU 144 Cb 0.31 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2ffx h LEU 144 CO -0.00 0.70 0.05 0.40 -0.34 0.00 0.00 178.44 179.25 2ffx h ILE 145 N 0.63 1.25 -0.50 4.05 2.04 -0.85 -0.45 117.51 123.67 2ffx h ILE 145 Ca 0.15 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 2ffx h ILE 145 Cb 0.26 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2ffx h ILE 145 CO -0.01 0.36 0.25 0.50 0.00 0.00 0.00 178.15 179.25 2ffx h LYS 146 N 0.83 0.72 -0.61 2.37 1.63 -0.94 -0.13 116.57 120.44 2ffx h LYS 146 Ca 0.17 -0.10 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 2ffx h LYS 146 Cb 0.43 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 2ffx h LYS 146 CO 0.01 0.59 0.30 -0.22 -3.45 0.00 0.00 179.45 176.69 2ffx h LYS 147 N 0.67 0.87 -0.34 1.90 1.63 -0.73 -0.78 116.57 119.79 2ffx h LYS 147 Ca 0.17 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.76 2ffx h LYS 147 Cb 0.10 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 2ffx h LYS 147 CO -0.02 0.69 -0.16 0.52 -3.45 0.00 0.00 179.45 177.03 2ffx h MET 148 N 0.83 0.63 -0.38 1.90 2.86 -0.82 -1.09 114.93 118.87 2ffx h MET 148 Ca 0.21 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2ffx h MET 148 Cb 0.10 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2ffx h MET 148 CO -0.03 0.76 0.20 0.78 1.06 0.00 0.00 176.91 179.68 2ffx h GLY 149 N 0.98 0.58 1.00 8.32 0.00 -0.54 0.21 103.07 113.61 2ffx h GLY 149 Ca 0.09 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2ffx h GLY 149 CO 0.04 0.26 0.59 -0.55 0.00 0.00 0.00 176.54 176.88 2ffx h ASP 150 N 0.48 1.02 -0.38 0.19 3.32 -0.78 -1.30 116.42 118.97 2ffx h ASP 150 Ca 0.13 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 2ffx h ASP 150 Cb 0.08 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2ffx h ASP 150 CO -0.02 0.74 0.13 0.45 -1.72 0.00 0.00 179.24 178.82 2ffx h HIS 151 N 1.21 0.60 -0.79 4.55 3.86 -0.64 -1.87 115.15 122.07 2ffx h HIS 151 Ca 0.33 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.47 2ffx h HIS 151 Cb -0.13 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.12 2ffx h HIS 151 CO -0.01 0.56 0.44 -0.07 0.86 0.00 0.00 177.93 179.71 2ffx h LEU 152 N 0.47 0.98 -0.43 2.43 3.38 -0.59 0.05 115.31 121.60 2ffx h LEU 152 Ca 0.12 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2ffx h LEU 152 Cb 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2ffx h LEU 152 CO -0.01 0.78 0.15 0.74 0.09 0.00 0.00 178.44 180.20 2ffx h THR 153 N 1.10 1.21 -0.33 0.22 2.02 -0.98 0.02 112.91 116.18 2ffx h THR 153 Ca 0.28 -0.67 -0.13 0.00 0.77 0.00 0.00 66.41 66.67 2ffx h THR 153 Cb 0.02 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2ffx h THR 153 CO -0.05 0.24 -0.31 0.78 0.37 0.00 0.00 175.52 176.55 2ffx h ASN 154 N 0.55 0.75 -0.57 4.18 2.35 -0.92 -1.02 115.58 120.90 2ffx h ASN 154 Ca 0.14 -0.30 -0.07 0.00 -0.55 0.00 0.00 56.30 55.52 2ffx h ASN 154 Cb 0.22 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 2ffx h ASN 154 CO -0.01 1.00 0.10 -0.07 -1.65 0.00 0.00 177.43 176.81 2ffx h LEU 155 N 0.61 0.92 -0.87 1.61 3.38 -0.76 -1.11 115.31 119.09 2ffx h LEU 155 Ca 0.07 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 2ffx h LEU 155 Cb 0.83 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2ffx h LEU 155 CO 0.07 0.92 -0.34 -0.74 0.09 0.00 0.00 178.44 178.45 2ffx h HIS 156 N 0.92 0.49 0.00 1.13 2.76 -0.72 -2.15 115.15 117.58 2ffx h HIS 156 Ca 0.19 -0.12 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 2ffx h HIS 156 Cb 0.39 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 2ffx h HIS 156 CO 0.03 0.72 -0.36 -0.09 -1.30 0.00 0.00 177.93 176.93 2ffx h ARG 157 N 0.37 0.00 -0.57 5.26 2.43 -0.68 -2.62 114.38 118.56 2ffx h ARG 157 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2ffx h ARG 157 Cb 0.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2ffx h ARG 157 CO 0.06 0.36 0.00 1.28 -1.51 0.00 0.00 179.97 180.16 2ffx n LEU 158 N -3.87 3.10 0.00 3.80 4.77 -0.47 -4.95 117.00 119.38 2ffx n LEU 158 Ca -0.01 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 2ffx n LEU 158 Cb 0.42 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2ffx n LEU 158 CO 0.37 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 2ffx n GLY 159 N 1.30 -0.33 0.00 -0.72 0.00 -0.89 -4.27 105.19 100.27 2ffx n GLY 159 Ca 0.19 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2ffx n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ffx n GLY 160 N 5.00 -0.16 0.23 -0.02 0.00 -1.26 -4.59 105.19 104.38 2ffx n GLY 160 Ca 0.00 -2.03 0.04 0.00 0.00 0.00 0.00 46.02 44.02 2ffx n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ffx h PRO 161 N 0.00 0.11 -1.73 1.61 0.13 -2.03 -3.03 132.00 127.06 2ffx h PRO 161 Ca 0.00 -0.03 -0.68 0.00 -0.87 0.00 0.00 66.00 64.43 2ffx h PRO 161 Cb 0.00 -0.02 -0.35 0.00 0.13 0.00 0.00 31.00 30.77 2ffx h PRO 161 CO 0.00 0.30 0.14 0.39 -0.23 0.00 0.00 178.00 178.60 2ffx n GLU 162 N -4.27 3.10 0.11 0.86 1.02 -1.26 -4.72 120.64 115.48 2ffx n GLU 162 Ca -0.02 -4.02 0.00 0.00 -0.02 0.00 0.00 57.16 53.11 2ffx n GLU 162 Cb 0.27 -2.26 0.31 0.00 -0.02 0.00 0.00 31.44 29.74 2ffx n GLU 162 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ffx h ALA 163 N 2.77 1.31 -0.40 0.62 0.00 -1.72 -2.17 119.26 119.67 2ffx h ALA 163 Ca 0.43 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2ffx h ALA 163 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2ffx h ALA 163 CO 1.14 0.48 0.22 0.78 0.00 0.00 0.00 179.25 181.86 2ffx h GLY 164 N 1.01 0.59 1.01 0.00 0.00 -1.88 0.25 103.07 104.05 2ffx h GLY 164 Ca 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2ffx h GLY 164 CO 0.04 0.25 0.30 -2.00 0.00 0.00 0.00 176.54 175.14 2ffx h LEU 165 N 0.51 0.93 -0.49 3.11 5.85 -1.88 -2.11 115.31 121.23 2ffx h LEU 165 Ca 0.14 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2ffx h LEU 165 Cb 0.05 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2ffx h LEU 165 CO -0.02 0.83 0.24 1.23 -0.34 0.00 0.00 178.44 180.38 2ffx h GLY 166 N 0.97 0.76 1.13 3.75 0.00 -0.76 -1.25 103.07 107.67 2ffx h GLY 166 Ca 0.23 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2ffx h GLY 166 CO -0.02 0.35 0.44 -2.09 0.00 0.00 0.00 176.54 175.22 2ffx h GLU 167 N 0.65 1.13 -0.15 4.80 4.81 -0.27 -0.53 114.58 125.01 2ffx h GLU 167 Ca 0.17 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2ffx h GLU 167 Cb 0.11 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2ffx h GLU 167 CO -0.02 0.83 -0.02 -0.92 -0.73 0.00 0.00 179.01 178.14 2ffx h TYR 168 N 1.14 0.32 -0.88 0.92 5.03 -1.10 -2.56 116.97 119.83 2ffx h TYR 168 Ca 0.29 -0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.53 2ffx h TYR 168 Cb 0.03 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.19 2ffx h TYR 168 CO 0.01 0.55 0.52 -0.07 -1.32 0.00 0.00 178.16 177.85 2ffx h LEU 169 N 0.00 1.07 -0.24 2.82 3.38 -0.89 -1.26 115.31 120.19 2ffx h LEU 169 Ca 0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ffx h LEU 169 Cb 0.44 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2ffx h LEU 169 CO 0.01 0.83 0.14 0.15 0.09 0.00 0.00 178.44 179.66 2ffx h PHE 170 N 1.22 0.33 -0.47 1.13 3.57 -1.08 0.43 116.94 122.08 2ffx h PHE 170 Ca 0.32 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 2ffx h PHE 170 Cb -0.03 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 2ffx h PHE 170 CO 0.00 0.28 0.09 1.49 -2.23 0.00 0.00 178.31 177.95 2ffx h GLU 171 N 0.29 0.72 0.13 1.11 4.22 -1.20 0.06 114.58 119.90 2ffx h GLU 171 Ca 0.09 -0.14 -0.29 0.00 0.08 0.00 0.00 59.36 59.09 2ffx h GLU 171 Cb 0.06 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.22 2ffx h GLU 171 CO -0.01 0.67 -1.24 0.00 -2.18 0.00 0.00 179.01 176.24 2ffx h ARG 172 N 0.69 0.51 0.00 1.92 2.47 -0.85 -3.29 114.38 115.83 2ffx h ARG 172 Ca 0.15 -0.72 0.00 0.00 -1.26 0.00 0.00 59.98 58.15 2ffx h ARG 172 Cb 0.29 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2ffx h ARG 172 CO 0.00 1.32 -1.70 1.28 0.56 0.00 0.00 179.97 181.44 2ffx n LEU 173 N -3.72 0.13 -0.08 3.04 4.77 0.15 -4.73 117.00 116.57 2ffx n LEU 173 Ca -0.12 -0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.63 2ffx n LEU 173 Cb 0.99 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.02 2ffx n LEU 173 CO 0.57 0.03 -1.01 0.41 -1.33 0.00 0.00 177.39 176.06 2ffx n THR 174 N -2.03 0.84 -2.87 -5.08 -1.04 -0.02 -5.02 114.28 99.06 2ffx n THR 174 Ca -0.02 -0.25 -0.34 0.00 -2.04 0.00 0.00 64.05 61.39 2ffx n THR 174 Cb 0.45 -1.49 -0.07 0.00 -1.82 0.00 0.00 70.33 67.41 2ffx n THR 174 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2ffx s LEU 175 N -6.53 4.11 0.24 -4.42 1.43 -1.05 -5.03 118.68 107.43 2ffx s LEU 175 Ca -0.21 1.66 -0.30 0.00 -1.03 0.00 0.00 54.13 54.26 2ffx s LEU 175 Cb 0.07 -4.25 -0.09 0.00 0.03 0.00 0.00 46.19 41.96 2ffx s LEU 175 CO 0.29 -0.22 1.05 -0.54 0.23 0.00 0.00 176.35 177.16 2ffx s LYS 176 N -2.71 4.70 0.00 1.70 1.02 -1.26 -4.67 119.74 118.51 2ffx s LYS 176 Ca 0.56 1.68 0.00 0.00 0.02 0.00 0.00 55.97 58.23 2ffx s LYS 176 Cb -0.13 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 2ffx s LYS 176 CO 0.17 0.27 0.00 -2.39 -0.92 0.00 0.00 175.35 172.49