#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbx n ASP 2 N 0.00 7.24 0.00 7.83 9.92 -1.26 -4.95 116.55 135.32 2kbx n ASP 2 Ca 0.00 -2.72 0.00 0.00 -0.53 0.00 0.00 54.79 51.54 2kbx n ASP 2 Cb 0.00 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.04 2kbx n ASP 2 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2kbx n ASP 3 N 2.58 0.00 0.04 -2.24 8.00 -1.26 -1.48 116.55 122.19 2kbx n ASP 3 Ca 0.61 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 56.00 2kbx n ASP 3 Cb 0.49 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.61 2kbx n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2kbx h ILE 4 N 0.00 1.36 -0.85 0.53 -2.65 -1.94 -2.84 117.51 111.12 2kbx h ILE 4 Ca 0.00 -2.08 0.19 0.00 1.03 0.00 0.00 64.86 64.00 2kbx h ILE 4 Cb 0.00 2.06 -0.16 0.00 -2.05 0.00 0.00 36.82 36.68 2kbx h ILE 4 CO 0.00 0.63 -0.08 0.15 0.03 0.00 0.00 178.15 178.89 2kbx h PHE 5 N 0.32 -0.21 0.20 0.16 3.04 -1.66 1.76 116.94 120.56 2kbx h PHE 5 Ca -0.03 0.07 -0.32 0.00 3.98 0.00 0.00 57.97 61.67 2kbx h PHE 5 Cb 1.30 0.23 0.02 0.00 2.56 0.00 0.00 35.95 40.06 2kbx h PHE 5 CO 0.05 -0.33 -1.48 0.00 -2.02 0.00 0.00 178.31 174.53 2kbx h THR 6 N 0.04 1.17 0.00 4.41 1.03 -1.50 -3.01 112.91 115.05 2kbx h THR 6 Ca 0.45 -2.58 0.00 0.00 -0.01 0.00 0.00 66.41 64.27 2kbx h THR 6 Cb 0.80 2.94 0.00 0.00 -1.07 0.00 0.00 68.15 70.82 2kbx h THR 6 CO -0.81 0.80 0.00 0.00 -0.01 0.00 0.00 175.52 175.50 2kbx n GLN 7 N -3.76 0.64 -0.13 0.00 1.13 -0.47 -3.10 117.38 111.70 2kbx n GLN 7 Ca -0.20 0.01 -0.24 0.00 -1.94 0.00 0.00 57.00 54.63 2kbx n GLN 7 Cb 1.04 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 29.78 2kbx n GLN 7 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kbx h ARG 9 N -0.54 0.00 0.00 0.00 9.65 -1.46 0.14 114.38 122.18 2kbx h ARG 9 Ca -0.62 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.26 2kbx h ARG 9 Cb 1.74 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.32 2kbx h ARG 9 CO -0.25 0.00 0.00 -1.91 2.80 0.00 0.00 179.97 180.61 2kbx n GLU 10 N -2.58 0.30 -0.54 0.20 2.13 -1.21 -4.67 120.64 114.27 2kbx n GLU 10 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2kbx n GLU 10 Cb 0.09 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.49 2kbx n GLU 10 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kbx n GLY 11 N -0.31 0.76 2.42 8.31 0.00 0.46 -4.90 105.19 111.93 2kbx n GLY 11 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 2kbx n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kbx n ASN 12 N 0.00 4.45 0.19 1.61 5.03 -0.92 -4.52 115.26 121.10 2kbx n ASN 12 Ca 0.00 -2.24 0.09 0.00 0.87 0.00 0.00 54.58 53.29 2kbx n ASN 12 Cb 0.00 -1.03 0.19 0.00 -1.02 0.00 0.00 39.78 37.92 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kbx h ALA 13 N 5.36 2.18 -0.05 5.41 0.00 -1.90 2.91 119.26 133.18 2kbx h ALA 13 Ca 0.36 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.09 2kbx h ALA 13 Cb 0.48 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kbx h ALA 13 CO 1.01 -1.12 -0.73 -0.24 0.00 0.00 0.00 179.25 178.18 2kbx h VAL 14 N 0.00 1.41 -0.30 0.00 3.04 -1.94 -1.87 116.25 116.60 2kbx h VAL 14 Ca 0.12 -2.22 -0.10 0.00 -1.01 0.00 0.00 66.70 63.49 2kbx h VAL 14 Cb 2.09 2.18 -0.01 0.00 -2.01 0.00 0.00 31.29 33.54 2kbx h VAL 14 CO -0.00 0.66 -0.22 0.00 -1.01 0.00 0.00 177.57 177.00 2kbx h ALA 15 N 1.04 0.43 0.00 3.17 0.00 0.49 -2.28 119.26 122.10 2kbx h ALA 15 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kbx h ALA 15 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2kbx h ALA 15 CO 0.12 0.39 0.00 -0.24 0.00 0.00 0.00 179.25 179.52 2kbx h VAL 16 N 0.43 0.00 -0.00 0.00 3.04 -1.54 -3.12 116.25 115.06 2kbx h VAL 16 Ca 0.06 -0.54 -0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2kbx h VAL 16 Cb 0.77 1.48 -0.00 0.00 -2.01 0.00 0.00 31.29 31.53 2kbx h VAL 16 CO 0.06 0.00 -0.00 -0.09 -1.01 0.00 0.00 177.57 176.53 2kbx h ARG 17 N 0.00 0.00 -0.51 4.17 9.65 -0.76 0.06 114.38 126.99 2kbx h ARG 17 Ca 0.00 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 2kbx h ARG 17 Cb 0.60 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.15 2kbx h ARG 17 CO 0.00 0.46 0.05 -0.07 2.80 0.00 0.00 179.97 183.21 2kbx h LEU 18 N -0.46 0.79 0.19 3.80 -0.00 -1.45 -2.45 115.31 115.73 2kbx h LEU 18 Ca 0.00 -0.18 -0.31 0.00 -0.00 0.00 0.00 57.88 57.40 2kbx h LEU 18 Cb 0.46 -0.21 0.02 0.00 -0.00 0.00 0.00 40.66 40.93 2kbx h LEU 18 CO 0.00 0.83 -1.38 4.11 -0.00 0.00 0.00 178.44 182.00 2kbx h TRP 19 N 0.79 0.73 -0.83 1.13 5.08 -1.57 -3.25 115.95 118.02 2kbx h TRP 19 Ca 0.16 -0.53 0.09 0.00 1.08 0.00 0.00 58.89 59.69 2kbx h TRP 19 Cb 0.41 -0.03 -0.07 0.00 -3.00 0.00 0.00 29.16 26.46 2kbx h TRP 19 CO 0.02 1.42 0.48 1.25 -1.28 0.00 0.00 178.44 180.33 2kbx h LEU 20 N 0.11 0.68 -4.66 0.11 5.85 -0.91 -1.60 115.31 114.89 2kbx h LEU 20 Ca -0.20 0.05 -0.51 0.00 0.84 0.00 0.00 57.88 58.05 2kbx h LEU 20 Cb 2.07 -0.09 -0.16 0.00 0.37 0.00 0.00 40.66 42.86 2kbx h LEU 20 CO 0.24 0.39 0.66 -0.67 -0.34 0.00 0.00 178.44 178.72 2kbx n ASP 21 N -4.74 6.63 -4.61 1.25 2.03 -0.93 -4.94 116.55 111.24 2kbx n ASP 21 Ca 0.14 -3.14 -0.43 0.00 0.52 0.00 0.00 54.79 51.88 2kbx n ASP 21 Cb 0.27 -1.27 -0.03 0.00 -0.72 0.00 0.00 41.12 39.38 2kbx n ASP 21 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2kbx s ASN 22 N 0.50 5.75 0.08 1.67 0.01 -0.60 -4.78 114.94 117.57 2kbx s ASN 22 Ca 0.59 1.96 0.05 0.00 -0.71 0.00 0.00 52.86 54.75 2kbx s ASN 22 Cb 0.35 -2.52 0.27 0.00 0.41 0.00 0.00 41.25 39.76 2kbx s ASN 22 CO -0.19 -1.72 1.11 1.07 -1.51 0.00 0.00 177.10 175.87 2kbx n THR 23 N 7.21 1.62 0.46 1.60 5.66 -1.26 0.28 114.28 129.85 2kbx n THR 23 Ca 0.26 0.56 0.05 0.00 -3.05 0.00 0.00 64.05 61.87 2kbx n THR 23 Cb 0.44 -1.56 -0.05 0.00 -1.55 0.00 0.00 70.33 67.62 2kbx n THR 23 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2kbx n GLU 24 N -1.65 3.56 -3.14 1.09 0.00 -1.26 -5.04 120.64 114.20 2kbx n GLU 24 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 57.16 57.00 2kbx n GLU 24 Cb 0.05 -0.98 0.01 0.00 0.00 0.00 0.00 31.44 30.52 2kbx n GLU 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2kbx n ASN 25 N -1.11 -7.27 -1.12 -1.84 5.03 0.14 -4.95 115.26 104.15 2kbx n ASN 25 Ca 0.02 -0.05 0.03 0.00 0.87 0.00 0.00 54.58 55.46 2kbx n ASN 25 Cb 0.16 -4.57 0.04 0.00 -1.02 0.00 0.00 39.78 34.39 2kbx n ASN 25 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2kbx n ASP 26 N -1.41 0.88 0.00 6.41 2.03 -1.26 -4.78 116.55 118.42 2kbx n ASP 26 Ca -0.02 -2.23 0.08 0.00 0.52 0.00 0.00 54.79 53.14 2kbx n ASP 26 Cb 0.53 -0.30 0.48 0.00 -0.72 0.00 0.00 41.12 41.11 2kbx n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbx n LEU 27 N 0.14 0.00 0.33 -2.67 -0.00 -1.26 -3.26 117.00 110.28 2kbx n LEU 27 Ca 0.06 0.00 0.19 0.00 -0.00 0.00 0.00 56.01 56.27 2kbx n LEU 27 Cb 0.98 0.00 1.03 0.00 -0.00 0.00 0.00 43.42 45.43 2kbx n LEU 27 CO -0.03 0.00 1.15 0.78 -0.00 0.00 0.00 177.39 179.29 2kbx h ASN 28 N 0.00 0.00 -0.37 1.45 -0.26 -1.99 -3.42 115.58 110.99 2kbx h ASN 28 Ca 0.00 0.00 -0.69 0.00 -0.56 0.00 0.00 56.30 55.05 2kbx h ASN 28 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.22 2kbx h ASN 28 CO 0.00 0.00 1.43 1.67 -1.06 0.00 0.00 177.43 179.47 2kbx n GLN 29 N -2.96 0.34 0.00 0.81 7.27 -1.20 -4.70 117.38 116.95 2kbx n GLN 29 Ca -0.03 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.13 2kbx n GLN 29 Cb 0.20 -1.85 0.00 0.00 2.41 0.00 0.00 30.24 31.00 2kbx n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kbx n GLY 30 N 7.02 1.76 3.29 1.69 0.00 -1.26 -4.63 105.19 113.06 2kbx n GLY 30 Ca 0.52 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.33 2kbx n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kbx s ASP 31 N 1.00 1.32 0.09 1.61 2.15 -0.57 -4.93 116.67 117.34 2kbx s ASP 31 Ca 0.00 -1.27 0.26 0.00 0.43 0.00 0.00 52.55 51.97 2kbx s ASP 31 Cb 0.00 0.12 1.00 0.00 -0.30 0.00 0.00 42.92 43.74 2kbx s ASP 31 CO 0.00 -0.63 1.81 -0.90 -0.17 0.00 0.00 175.17 175.28 2kbx n ASP 32 N -0.37 0.33 -0.31 -0.34 5.75 -1.26 -2.41 116.55 117.93 2kbx n ASP 32 Ca -0.03 0.54 0.14 0.00 -0.01 0.00 0.00 54.79 55.42 2kbx n ASP 32 Cb 0.65 -0.63 0.47 0.00 -1.03 0.00 0.00 41.12 40.58 2kbx n ASP 32 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2kbx n HIS 33 N -1.82 0.00 -0.22 2.11 8.25 -1.26 -4.91 115.22 117.37 2kbx n HIS 33 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2kbx n HIS 33 Cb 0.34 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.37 2kbx n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kbx n GLY 34 N 1.27 0.87 3.69 -1.41 0.00 -1.01 -4.30 105.19 104.29 2kbx n GLY 34 Ca 0.15 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2kbx n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kbx s PHE 35 N -2.00 3.55 0.47 1.61 0.08 -1.26 -4.69 117.98 115.75 2kbx s PHE 35 Ca 0.00 1.62 0.02 0.00 0.12 0.00 0.00 56.93 58.69 2kbx s PHE 35 Cb 0.00 -3.18 0.01 0.00 -0.57 0.00 0.00 43.02 39.29 2kbx s PHE 35 CO 0.00 -0.19 0.67 -1.54 -0.10 0.00 0.00 175.22 174.06 2kbx s SER 36 N 1.08 5.62 0.23 1.36 1.04 -1.26 -1.51 113.70 120.26 2kbx s SER 36 Ca 0.50 0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.89 2kbx s SER 36 Cb -0.19 -1.15 0.25 0.00 0.10 0.00 0.00 66.02 65.02 2kbx s SER 36 CO 0.21 -0.84 1.89 1.55 0.98 0.00 0.00 173.24 177.03 2kbx h PRO 37 N 0.36 1.11 -0.96 4.02 0.13 -1.84 -1.55 132.00 133.28 2kbx h PRO 37 Ca -0.44 -0.07 0.06 0.00 -0.87 0.00 0.00 66.00 64.68 2kbx h PRO 37 Cb 1.27 -0.25 -0.06 0.00 0.13 0.00 0.00 31.00 32.09 2kbx h PRO 37 CO 0.53 0.74 0.62 1.25 -0.23 0.00 0.00 178.00 180.91 2kbx h LEU 38 N 1.15 1.00 0.47 1.56 6.46 -1.96 0.23 115.31 124.21 2kbx h LEU 38 Ca 0.34 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.09 2kbx h LEU 38 Cb -0.05 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.67 2kbx h LEU 38 CO -0.10 0.65 -0.33 0.45 -0.62 0.00 0.00 178.44 178.49 2kbx h HIS 39 N 1.14 -0.89 -0.55 1.25 3.86 -1.67 0.30 115.15 118.60 2kbx h HIS 39 Ca 0.41 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.70 2kbx h HIS 39 Cb 0.12 0.33 -0.07 0.00 1.06 0.00 0.00 27.41 28.85 2kbx h HIS 39 CO -0.01 -0.48 0.15 -1.49 0.86 0.00 0.00 177.93 176.97 2kbx h TRP 40 N -0.76 0.26 0.12 2.45 4.06 -1.20 0.13 115.95 121.01 2kbx h TRP 40 Ca -0.06 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.94 2kbx h TRP 40 Cb 0.63 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 28.72 2kbx h TRP 40 CO -0.08 0.04 -0.29 0.00 -3.56 0.00 0.00 178.44 174.55 2kbx h ALA 41 N 1.40 -0.49 0.00 1.49 0.00 -0.23 1.47 119.26 122.90 2kbx h ALA 41 Ca 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2kbx h ALA 41 Cb 0.36 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2kbx h ALA 41 CO -0.32 -0.83 -0.16 0.00 0.00 0.00 0.00 179.25 177.95 2kbx h ARG 43 N 0.00 0.54 0.47 0.00 1.12 0.48 -3.35 114.38 113.65 2kbx h ARG 43 Ca -0.00 -0.85 -0.02 0.00 -1.11 0.00 0.00 59.98 58.00 2kbx h ARG 43 Cb 0.28 0.30 -0.00 0.00 -0.01 0.00 0.00 29.97 30.54 2kbx h ARG 43 CO 0.02 1.40 -0.29 0.93 -3.11 0.00 0.00 179.97 178.92 2kbx h GLU 44 N 0.12 -0.70 0.00 0.20 5.08 0.24 -3.47 114.58 116.05 2kbx h GLU 44 Ca -0.22 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2kbx h GLU 44 Cb 2.02 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.43 2kbx h GLU 44 CO 0.25 -0.47 0.00 0.41 -1.00 0.00 0.00 179.01 178.20 2kbx n GLY 45 N -1.43 0.92 2.67 -3.84 0.00 -0.88 -5.02 105.19 97.62 2kbx n GLY 45 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2kbx n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbx n ARG 46 N 0.00 2.44 0.14 1.61 1.74 -1.24 -4.57 116.66 116.77 2kbx n ARG 46 Ca 0.00 -1.90 0.10 0.00 -0.77 0.00 0.00 57.85 55.28 2kbx n ARG 46 Cb 0.00 -2.77 0.51 0.00 -1.02 0.00 0.00 32.46 29.18 2kbx n ARG 46 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kbx n SER 47 N 5.12 0.49 -0.30 0.55 2.88 -1.26 -2.30 113.62 118.79 2kbx n SER 47 Ca 0.55 0.73 0.02 0.00 -1.33 0.00 0.00 58.87 58.83 2kbx n SER 47 Cb 0.26 -0.79 0.21 0.00 -0.75 0.00 0.00 64.21 63.13 2kbx n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbx h ALA 48 N 2.01 1.44 0.03 -1.46 0.00 -1.98 0.04 119.26 119.34 2kbx h ALA 48 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 2kbx h ALA 48 Cb 0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 2kbx h ALA 48 CO 0.00 0.46 -2.11 1.33 0.00 0.00 0.00 179.25 178.93 2kbx n VAL 49 N -4.45 1.56 0.12 0.00 0.24 -0.97 -3.35 118.33 111.48 2kbx n VAL 49 Ca 0.12 -0.75 0.19 0.00 -2.04 0.00 0.00 64.34 61.87 2kbx n VAL 49 Cb 0.12 -1.08 0.77 0.00 -1.47 0.00 0.00 33.84 32.18 2kbx n VAL 49 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 2kbx h VAL 50 N 0.01 0.44 0.09 3.34 3.04 -1.38 1.03 116.25 122.83 2kbx h VAL 50 Ca -0.45 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2kbx h VAL 50 Cb 2.07 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 32.07 2kbx h VAL 50 CO 0.04 0.00 -0.04 -0.08 -1.01 0.00 0.00 177.57 176.47 2kbx h GLU 51 N 0.00 -0.12 0.00 4.17 4.81 -1.07 0.35 114.58 122.72 2kbx h GLU 51 Ca 0.16 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2kbx h GLU 51 Cb 0.86 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2kbx h GLU 51 CO -0.00 -0.08 0.14 -1.33 -0.73 0.00 0.00 179.01 177.01 2kbx n MET 52 N -2.75 0.04 -0.08 1.92 2.81 -0.45 -2.61 117.12 115.99 2kbx n MET 52 Ca -0.02 0.45 -0.07 0.00 -1.81 0.00 0.00 57.70 56.25 2kbx n MET 52 Cb 0.05 -1.77 -0.03 0.00 -0.71 0.00 0.00 33.22 30.77 2kbx n MET 52 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2kbx n LEU 53 N -1.64 1.87 0.08 4.03 0.00 0.35 -3.67 117.00 118.03 2kbx n LEU 53 Ca -0.00 0.48 0.18 0.00 0.00 0.00 0.00 56.01 56.67 2kbx n LEU 53 Cb 0.15 -0.81 0.49 0.00 0.00 0.00 0.00 43.42 43.26 2kbx n LEU 53 CO 0.03 -0.35 1.16 0.40 0.00 0.00 0.00 177.39 178.63 2kbx h ILE 54 N -1.00 0.09 0.00 1.96 2.04 -0.67 2.20 117.51 122.14 2kbx h ILE 54 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2kbx h ILE 54 Cb 0.77 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2kbx h ILE 54 CO -0.01 0.00 -0.80 0.23 0.00 0.00 0.00 178.15 177.57 2kbx n MET 55 N -3.14 0.17 -0.04 2.37 2.81 -1.13 -4.12 117.12 114.04 2kbx n MET 55 Ca 0.10 0.01 -0.16 0.00 -1.81 0.00 0.00 57.70 55.84 2kbx n MET 55 Cb 0.97 -1.57 -0.07 0.00 -0.71 0.00 0.00 33.22 31.85 2kbx n MET 55 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kbx h ARG 56 N 0.00 0.75 0.00 0.03 3.08 0.36 -3.46 114.38 115.14 2kbx h ARG 56 Ca 0.00 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.49 2kbx h ARG 56 Cb 0.64 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2kbx h ARG 56 CO 0.00 1.17 0.00 0.41 -1.07 0.00 0.00 179.97 180.48 2kbx n GLY 57 N 0.58 0.00 3.84 0.04 0.00 -1.20 -5.13 105.19 103.33 2kbx n GLY 57 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2kbx n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx s ALA 58 N 0.00 3.76 0.01 4.61 0.00 -1.26 -5.08 121.76 123.79 2kbx s ALA 58 Ca 0.00 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 2kbx s ALA 58 Cb 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 23.12 21.22 2kbx s ALA 58 CO 0.00 0.63 0.49 -0.98 0.00 0.00 0.00 175.76 175.90 2kbx s ARG 59 N -1.13 4.11 0.00 0.00 3.03 -1.26 -4.76 118.95 118.94 2kbx s ARG 59 Ca 0.16 0.55 0.27 0.00 2.03 0.00 0.00 55.73 58.75 2kbx s ARG 59 Cb -0.12 -3.27 0.92 0.00 -1.03 0.00 0.00 34.95 31.46 2kbx s ARG 59 CO 0.06 0.57 1.67 0.44 -1.13 0.00 0.00 175.30 176.91 2kbx n ILE 60 N 2.13 0.00 0.75 4.99 -0.00 -1.26 -3.92 119.36 122.04 2kbx n ILE 60 Ca -0.11 -0.26 0.13 0.00 -0.00 0.00 0.00 62.75 62.51 2kbx n ILE 60 Cb 0.52 0.59 0.48 0.00 -0.00 0.00 0.00 39.64 41.23 2kbx n ILE 60 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2kbx n ASN 61 N 0.20 0.51 -4.47 7.28 5.03 -1.26 -4.45 115.26 118.10 2kbx n ASN 61 Ca 0.18 0.55 -0.30 0.00 0.87 0.00 0.00 54.58 55.87 2kbx n ASN 61 Cb 0.38 -0.69 0.20 0.00 -1.02 0.00 0.00 39.78 38.65 2kbx n ASN 61 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2kbx n VAL 62 N -1.98 0.00 -3.98 2.41 0.24 -1.25 -4.99 118.33 108.78 2kbx n VAL 62 Ca 0.06 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 62.00 2kbx n VAL 62 Cb 0.39 -0.86 -0.10 0.00 -1.47 0.00 0.00 33.84 31.80 2kbx n VAL 62 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2kbx s MET 63 N -4.15 0.51 0.76 7.34 -1.94 -1.26 -4.45 119.30 116.12 2kbx s MET 63 Ca 0.64 -0.81 -0.11 0.00 -1.71 0.00 0.00 55.69 53.69 2kbx s MET 63 Cb -0.22 0.19 0.05 0.00 2.01 0.00 0.00 34.83 36.87 2kbx s MET 63 CO 0.64 -0.11 1.10 0.54 -0.01 0.00 0.00 175.02 177.18 2kbx s ASN 64 N -2.11 4.84 0.64 3.03 4.22 -0.97 -4.82 114.94 119.76 2kbx s ASN 64 Ca -0.05 1.23 0.37 0.00 -2.14 0.00 0.00 52.86 52.27 2kbx s ASN 64 Cb -0.02 -1.98 2.10 0.00 1.28 0.00 0.00 41.25 42.63 2kbx s ASN 64 CO -0.05 -1.74 2.26 0.08 -2.04 0.00 0.00 177.10 175.61 2kbx h ARG 65 N -0.93 0.00 -1.24 3.55 -0.00 -1.84 -1.09 114.38 112.83 2kbx h ARG 65 Ca -0.46 0.00 -0.69 0.00 -0.00 0.00 0.00 59.98 58.83 2kbx h ARG 65 Cb 1.26 0.00 -0.30 0.00 -0.00 0.00 0.00 29.97 30.93 2kbx h ARG 65 CO 0.61 0.00 0.71 0.41 -0.00 0.00 0.00 179.97 181.70 2kbx n GLY 66 N -1.20 5.85 3.16 0.08 0.00 -1.26 -4.96 105.19 106.86 2kbx n GLY 66 Ca -0.02 -2.40 -0.05 0.00 0.00 0.00 0.00 46.02 43.55 2kbx n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kbx n ASP 67 N -0.79 -6.65 -3.23 1.61 8.00 -0.41 -4.86 116.55 110.21 2kbx n ASP 67 Ca 0.58 0.47 -0.02 0.00 0.71 0.00 0.00 54.79 56.53 2kbx n ASP 67 Cb 0.58 -2.13 -0.03 0.00 -0.02 0.00 0.00 41.12 39.52 2kbx n ASP 67 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kbx s ASP 68 N -1.17 -0.70 0.40 -2.24 1.01 -1.26 -4.44 116.67 108.28 2kbx s ASP 68 Ca 0.05 0.35 -0.08 0.00 0.71 0.00 0.00 52.55 53.58 2kbx s ASP 68 Cb -0.01 1.68 -0.05 0.00 1.01 0.00 0.00 42.92 45.55 2kbx s ASP 68 CO 0.22 -0.29 0.73 0.42 0.21 0.00 0.00 175.17 176.45 2kbx s THR 69 N 2.72 4.88 0.38 -1.27 -4.23 -1.26 -2.30 115.64 114.56 2kbx s THR 69 Ca 0.15 0.36 0.11 0.00 -1.18 0.00 0.00 61.69 61.13 2kbx s THR 69 Cb -0.14 -3.78 0.33 0.00 1.34 0.00 0.00 72.50 70.26 2kbx s THR 69 CO -0.22 -0.58 1.89 1.55 -0.54 0.00 0.00 174.62 176.71 2kbx h PRO 70 N 1.01 0.57 -0.08 3.99 0.13 -1.78 -1.63 132.00 134.21 2kbx h PRO 70 Ca -0.47 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.66 2kbx h PRO 70 Cb 1.19 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.14 2kbx h PRO 70 CO 0.63 0.38 -0.34 -0.07 -0.23 0.00 0.00 178.00 178.37 2kbx h LEU 71 N 0.59 -1.04 0.01 1.56 4.07 -1.93 1.76 115.31 120.33 2kbx h LEU 71 Ca 0.41 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.52 2kbx h LEU 71 Cb 0.76 0.43 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 2kbx h LEU 71 CO -0.17 -0.38 -0.02 0.45 -1.08 0.00 0.00 178.44 177.24 2kbx h HIS 72 N -0.44 -0.05 -0.65 1.13 3.86 -1.69 1.76 115.15 119.08 2kbx h HIS 72 Ca 0.08 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.41 2kbx h HIS 72 Cb 0.57 0.02 -0.12 0.00 1.06 0.00 0.00 27.41 28.93 2kbx h HIS 72 CO -0.40 -0.02 -0.33 -0.07 0.86 0.00 0.00 177.93 177.98 2kbx h LEU 73 N -0.03 -1.14 0.90 2.43 3.38 -1.14 2.28 115.31 121.99 2kbx h LEU 73 Ca -0.00 0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2kbx h LEU 73 Cb 0.02 0.58 0.01 0.00 0.09 0.00 0.00 40.66 41.37 2kbx h LEU 73 CO -0.01 -0.30 -0.43 0.00 0.09 0.00 0.00 178.44 177.79 2kbx h ALA 74 N 1.10 -1.25 -0.11 1.53 0.00 0.30 -2.69 119.26 118.15 2kbx h ALA 74 Ca 0.26 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2kbx h ALA 74 Cb 0.55 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kbx h ALA 74 CO -0.72 -1.16 0.09 0.00 0.00 0.00 0.00 179.25 177.46 2kbx h ALA 75 N -1.37 2.01 -0.22 0.00 0.00 0.33 -2.24 119.26 117.78 2kbx h ALA 75 Ca -0.12 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2kbx h ALA 75 Cb 0.93 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2kbx h ALA 75 CO 0.20 -0.14 -0.06 0.77 0.00 0.00 0.00 179.25 180.03 2kbx h SER 76 N 0.00 -0.20 0.58 0.00 0.02 0.41 -2.81 113.55 111.54 2kbx h SER 76 Ca 0.05 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2kbx h SER 76 Cb 0.22 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2kbx h SER 76 CO -0.00 -0.07 -0.51 -0.74 -1.14 0.00 0.00 176.83 174.37 2kbx h HIS 77 N 0.00 -1.40 0.00 3.45 6.17 -1.24 -3.47 115.15 118.66 2kbx h HIS 77 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.19 2kbx h HIS 77 Cb 0.16 0.53 0.00 0.00 2.52 0.00 0.00 27.41 30.62 2kbx h HIS 77 CO -0.23 -0.69 0.00 0.41 0.71 0.00 0.00 177.93 178.12 2kbx n GLY 78 N -1.58 0.16 3.56 5.26 0.00 -1.06 -5.07 105.19 106.45 2kbx n GLY 78 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2kbx n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kbx s HIS 79 N -1.15 1.92 0.26 1.61 3.76 -1.26 -4.83 115.29 115.59 2kbx s HIS 79 Ca 0.00 0.39 -0.02 0.00 -0.15 0.00 0.00 55.06 55.28 2kbx s HIS 79 Cb 0.00 -4.23 0.51 0.00 1.11 0.00 0.00 32.58 29.97 2kbx s HIS 79 CO 0.00 -2.01 1.74 0.07 -0.85 0.00 0.00 174.74 173.69 2kbx h ARG 80 N 12.19 0.50 -0.17 1.40 0.11 -1.96 -2.86 114.38 123.58 2kbx h ARG 80 Ca -0.06 -0.03 0.04 0.00 0.10 0.00 0.00 59.98 60.03 2kbx h ARG 80 Cb 1.07 -0.11 -0.07 0.00 1.11 0.00 0.00 29.97 31.97 2kbx h ARG 80 CO 1.25 0.33 -0.53 0.22 0.10 0.00 0.00 179.97 181.34 2kbx h ASP 81 N 0.51 -1.69 -0.67 0.08 1.82 -2.00 0.13 116.42 114.59 2kbx h ASP 81 Ca 0.44 0.21 0.02 0.00 -0.39 0.00 0.00 57.03 57.32 2kbx h ASP 81 Cb 0.67 0.67 -0.04 0.00 0.68 0.00 0.00 39.33 41.31 2kbx h ASP 81 CO -0.40 -0.47 0.45 -0.29 -1.61 0.00 0.00 179.24 176.92 2kbx h ILE 82 N -0.55 1.12 -0.48 2.25 2.10 -1.93 -0.98 117.51 119.05 2kbx h ILE 82 Ca 0.05 -0.29 -0.03 0.00 1.08 0.00 0.00 64.86 65.67 2kbx h ILE 82 Cb 0.67 0.21 -0.02 0.00 -1.09 0.00 0.00 36.82 36.58 2kbx h ILE 82 CO -0.46 0.15 0.18 0.58 -1.08 0.00 0.00 178.15 177.52 2kbx h VAL 83 N 0.84 1.18 0.03 2.19 2.07 -0.91 -2.65 116.25 119.00 2kbx h VAL 83 Ca 0.26 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2kbx h VAL 83 Cb 0.01 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2kbx h VAL 83 CO -0.07 0.23 -0.01 1.56 0.02 0.00 0.00 177.57 179.29 2kbx h GLN 84 N 0.68 -0.04 -0.72 1.57 1.08 0.54 -1.57 115.11 116.66 2kbx h GLN 84 Ca 0.16 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.48 2kbx h GLN 84 Cb 0.16 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.55 2kbx h GLN 84 CO -0.01 0.37 0.48 0.87 -0.95 0.00 0.00 178.83 179.58 2kbx h LYS 85 N -0.46 0.49 0.00 1.46 1.57 -1.30 0.17 116.57 118.50 2kbx h LYS 85 Ca -0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2kbx h LYS 85 Cb 0.43 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2kbx h LYS 85 CO 0.01 0.32 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.88 2kbx h LEU 86 N 0.50 0.00 -0.11 2.94 3.38 -1.37 -3.16 115.31 117.49 2kbx h LEU 86 Ca 0.34 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.09 2kbx h LEU 86 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2kbx h LEU 86 CO -0.11 0.13 -1.00 -0.07 0.09 0.00 0.00 178.44 177.48 2kbx h LEU 87 N 0.00 0.21 -1.25 1.67 4.07 0.05 -3.15 115.31 116.91 2kbx h LEU 87 Ca -0.01 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.76 2kbx h LEU 87 Cb 1.10 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.78 2kbx h LEU 87 CO 0.02 1.08 0.00 0.00 -1.08 0.00 0.00 178.44 178.45 2kbx n GLN 88 N -3.53 1.82 -0.12 1.13 6.02 -0.71 -3.20 117.38 118.79 2kbx n GLN 88 Ca -0.04 -1.23 -0.25 0.00 -0.01 0.00 0.00 57.00 55.47 2kbx n GLN 88 Cb 0.90 -1.42 -0.09 0.00 1.02 0.00 0.00 30.24 30.65 2kbx n GLN 88 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2kbx n TYR 89 N 0.46 0.19 -1.20 1.08 4.02 -1.19 -4.88 117.16 115.64 2kbx n TYR 89 Ca 0.17 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 58.14 2kbx n TYR 89 Cb 0.37 -0.93 0.00 0.00 -0.02 0.00 0.00 39.34 38.76 2kbx n TYR 89 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2kbx n LYS 90 N -4.32 0.00 -3.89 -0.72 -0.00 -1.23 -5.04 118.16 102.96 2kbx n LYS 90 Ca -0.43 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.58 2kbx n LYS 90 Cb 0.78 -0.23 0.00 0.00 -0.00 0.00 0.00 35.03 35.58 2kbx n LYS 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kbx n ALA 91 N 0.00 -2.24 0.34 0.58 0.00 -1.19 -4.73 120.51 113.26 2kbx n ALA 91 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2kbx n ALA 91 Cb 0.19 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.23 2kbx n ALA 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kbx n ASP 92 N -2.81 1.93 0.12 0.00 2.03 -1.26 -3.28 116.55 113.28 2kbx n ASP 92 Ca -0.22 -1.24 -0.00 0.00 0.52 0.00 0.00 54.79 53.84 2kbx n ASP 92 Cb 0.65 -0.35 -0.01 0.00 -0.72 0.00 0.00 41.12 40.68 2kbx n ASP 92 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2kbx h ILE 93 N 0.71 1.08 0.00 5.18 -0.00 -1.94 -3.12 117.51 119.42 2kbx h ILE 93 Ca 0.00 -2.53 0.00 0.00 -0.00 0.00 0.00 64.86 62.33 2kbx h ILE 93 Cb 0.54 2.53 0.00 0.00 -0.00 0.00 0.00 36.82 39.89 2kbx h ILE 93 CO 0.00 0.62 0.00 0.59 -0.00 0.00 0.00 178.15 179.36 2kbx n ASN 94 N -3.25 0.00 -4.15 2.19 3.02 -1.21 -4.44 115.26 107.43 2kbx n ASN 94 Ca 0.01 0.16 -0.38 0.00 -0.03 0.00 0.00 54.58 54.35 2kbx n ASN 94 Cb 0.79 -0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 39.48 2kbx n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbx s ALA 95 N -2.76 3.31 1.12 5.41 0.00 -1.18 -5.08 121.76 122.58 2kbx s ALA 95 Ca 0.20 -2.67 -0.15 0.00 0.00 0.00 0.00 51.96 49.34 2kbx s ALA 95 Cb 0.18 -2.60 0.21 0.00 0.00 0.00 0.00 23.12 20.92 2kbx s ALA 95 CO 0.45 -1.89 0.92 1.33 0.00 0.00 0.00 175.76 176.57 2kbx n VAL 96 N 4.49 0.00 -0.07 0.00 0.24 -1.26 -4.98 118.33 116.74 2kbx n VAL 96 Ca -0.02 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 2kbx n VAL 96 Cb 0.41 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 2kbx n VAL 96 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2kbx n ASN 97 N -4.17 0.00 0.02 -1.34 5.03 -1.26 -4.92 115.26 108.62 2kbx n ASN 97 Ca 0.12 0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.64 2kbx n ASN 97 Cb 0.45 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.11 2kbx n ASN 97 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 2kbx n GLU 98 N 0.00 0.64 -0.14 3.52 0.00 -1.26 -4.00 120.64 119.39 2kbx n GLU 98 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 57.16 57.27 2kbx n GLU 98 Cb 0.00 -1.66 0.21 0.00 0.00 0.00 0.00 31.44 29.99 2kbx n GLU 98 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2kbx n HIS 99 N -2.54 0.38 -0.96 -1.84 -0.00 -1.26 -4.92 115.22 104.07 2kbx n HIS 99 Ca -0.07 -0.19 0.00 0.00 0.46 0.00 0.00 57.72 57.92 2kbx n HIS 99 Cb 0.68 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.55 2kbx n HIS 99 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kbx n GLY 100 N 1.45 0.67 3.57 1.57 0.00 -1.26 -4.72 105.19 106.47 2kbx n GLY 100 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2kbx n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbx s ASN 101 N -2.48 4.90 0.33 1.61 2.20 -1.26 -4.74 114.94 115.51 2kbx s ASN 101 Ca 0.00 1.33 -0.17 0.00 -0.94 0.00 0.00 52.86 53.08 2kbx s ASN 101 Cb 0.00 -2.51 -0.09 0.00 -2.00 0.00 0.00 41.25 36.65 2kbx s ASN 101 CO 0.00 -2.48 0.78 -0.69 -2.94 0.00 0.00 177.10 171.77 2kbx s VAL 102 N 10.43 4.59 0.41 3.54 1.01 -1.26 -4.23 120.40 134.89 2kbx s VAL 102 Ca 0.96 1.13 0.22 0.00 0.00 0.00 0.00 61.98 64.29 2kbx s VAL 102 Cb -0.23 -3.66 0.42 0.00 0.00 0.00 0.00 36.38 32.92 2kbx s VAL 102 CO 0.29 -0.15 1.73 -0.65 0.00 0.00 0.00 175.10 176.32 2kbx h PRO 103 N 2.37 0.28 -0.04 2.72 0.11 -1.92 -0.22 132.00 135.31 2kbx h PRO 103 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kbx h PRO 103 Cb 1.18 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2kbx h PRO 103 CO 0.64 0.19 0.00 1.25 -0.21 0.00 0.00 178.00 179.88 2kbx h LEU 104 N 0.29 0.06 -0.86 2.35 5.85 -1.94 0.51 115.31 121.56 2kbx h LEU 104 Ca 0.66 -0.27 0.22 0.00 0.84 0.00 0.00 57.88 59.33 2kbx h LEU 104 Cb 1.84 -0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.72 2kbx h LEU 104 CO -0.33 0.31 0.28 0.45 -0.34 0.00 0.00 178.44 178.82 2kbx h HIS 105 N -0.20 0.45 0.03 1.25 3.86 -1.41 0.38 115.15 119.52 2kbx h HIS 105 Ca 0.01 0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 2kbx h HIS 105 Cb 0.28 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 28.69 2kbx h HIS 105 CO 0.02 -0.13 -0.35 -0.92 0.86 0.00 0.00 177.93 177.41 2kbx h TYR 106 N 0.29 0.29 -0.64 2.45 5.03 -1.30 -1.72 116.97 121.36 2kbx h TYR 106 Ca 0.53 -0.18 0.12 0.00 2.58 0.00 0.00 58.73 61.79 2kbx h TYR 106 Cb 1.04 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 39.25 2kbx h TYR 106 CO -0.22 1.05 0.43 0.00 -1.32 0.00 0.00 178.16 178.11 2kbx h ALA 107 N 0.16 2.12 0.04 1.82 0.00 0.13 -0.88 119.26 122.66 2kbx h ALA 107 Ca -0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 2kbx h ALA 107 Cb 1.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2kbx h ALA 107 CO 0.07 -0.28 -1.42 0.00 0.00 0.00 0.00 179.25 177.61 2kbx h PHE 109 N 0.02 0.00 0.01 0.00 3.57 -0.20 -2.20 116.94 118.13 2kbx h PHE 109 Ca -0.18 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 2kbx h PHE 109 Cb 1.93 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.67 2kbx h PHE 109 CO 0.02 0.00 -0.00 -1.49 -2.23 0.00 0.00 178.31 174.61 2kbx h TRP 110 N 0.00 -0.01 0.00 0.41 4.06 -1.50 -3.49 115.95 115.43 2kbx h TRP 110 Ca 0.06 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 2kbx h TRP 110 Cb 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 2kbx h TRP 110 CO 0.00 0.73 0.00 0.41 -3.56 0.00 0.00 178.44 176.02 2kbx n GLY 111 N 1.59 0.97 2.73 1.49 0.00 -0.83 -5.12 105.19 106.02 2kbx n GLY 111 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2kbx n GLY 111 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kbx s GLN 112 N 0.06 0.91 0.16 1.61 0.74 -1.24 -5.02 119.66 116.88 2kbx s GLN 112 Ca 0.00 -1.41 -0.15 0.00 0.05 0.00 0.00 55.36 53.86 2kbx s GLN 112 Cb 0.00 -2.12 0.03 0.00 1.10 0.00 0.00 33.01 32.03 2kbx s GLN 112 CO 0.00 -1.05 1.76 -0.44 -0.55 0.00 0.00 175.29 175.01 2kbx h ASP 113 N 7.60 0.61 -0.48 6.67 3.32 -1.97 -3.07 116.42 129.10 2kbx h ASP 113 Ca -0.08 -0.10 0.14 0.00 0.02 0.00 0.00 57.03 57.00 2kbx h ASP 113 Cb 0.99 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 2kbx h ASP 113 CO 0.47 0.53 0.41 0.06 -1.72 0.00 0.00 179.24 179.00 2kbx h GLN 114 N 0.63 0.00 0.00 3.56 -0.00 -1.99 0.13 115.11 117.44 2kbx h GLN 114 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 2kbx h GLN 114 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.55 2kbx h GLN 114 CO -0.03 0.00 -0.60 1.33 -0.00 0.00 0.00 178.83 179.53 2kbx n VAL 115 N -4.03 0.29 0.09 1.86 0.24 -1.16 -2.93 118.33 112.68 2kbx n VAL 115 Ca 0.09 -0.22 -0.16 0.00 -2.04 0.00 0.00 64.34 62.01 2kbx n VAL 115 Cb 0.62 -0.07 -0.10 0.00 -1.47 0.00 0.00 33.84 32.82 2kbx n VAL 115 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kbx h ALA 116 N 2.60 0.20 0.14 2.33 0.00 -0.78 -2.91 119.26 120.83 2kbx h ALA 116 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 2kbx h ALA 116 Cb 0.70 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kbx h ALA 116 CO 0.00 0.87 -0.07 0.93 0.00 0.00 0.00 179.25 180.98 2kbx h GLU 117 N 0.16 -0.18 -0.78 0.00 4.39 -1.49 -1.98 114.58 114.71 2kbx h GLU 117 Ca -0.12 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.74 2kbx h GLU 117 Cb 1.81 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 30.35 2kbx h GLU 117 CO 0.19 -0.04 -0.23 0.22 -1.16 0.00 0.00 179.01 178.00 2kbx h ASP 118 N -0.29 -0.83 0.16 1.42 3.58 -1.41 2.50 116.42 121.55 2kbx h ASP 118 Ca -0.02 0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2kbx h ASP 118 Cb 0.23 0.52 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2kbx h ASP 118 CO 0.03 -0.27 -0.08 -0.07 -2.88 0.00 0.00 179.24 175.98 2kbx h LEU 119 N -0.02 -0.18 -0.45 2.28 3.38 -1.31 -3.21 115.31 115.80 2kbx h LEU 119 Ca 0.36 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2kbx h LEU 119 Cb 0.58 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2kbx h LEU 119 CO -0.81 0.24 -0.07 1.62 0.09 0.00 0.00 178.44 179.52 2kbx h VAL 120 N -0.64 0.13 0.00 1.22 3.04 -0.86 -2.76 116.25 116.38 2kbx h VAL 120 Ca -0.02 -1.01 0.00 0.00 -1.01 0.00 0.00 66.70 64.66 2kbx h VAL 120 Cb 0.47 1.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 2kbx h VAL 120 CO 0.04 0.06 0.00 0.00 -1.01 0.00 0.00 177.57 176.66 2kbx n ALA 121 N -2.12 1.24 -0.01 3.17 0.00 0.84 -1.18 120.51 122.44 2kbx n ALA 121 Ca 0.03 0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.32 2kbx n ALA 121 Cb 0.49 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 2kbx n ALA 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kbx n ASN 122 N -1.86 2.11 0.00 0.00 4.13 -1.04 -4.97 115.26 113.63 2kbx n ASN 122 Ca 0.01 0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.44 2kbx n ASN 122 Cb 0.08 -0.81 0.00 0.00 -1.54 0.00 0.00 39.78 37.50 2kbx n ASN 122 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kbx n GLY 123 N 2.03 -0.76 0.06 7.41 0.00 -0.33 -4.98 105.19 108.62 2kbx n GLY 123 Ca -0.33 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.71 2kbx n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx n ALA 124 N 0.00 0.74 -1.83 4.61 0.00 -1.21 -4.89 120.51 117.93 2kbx n ALA 124 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2kbx n ALA 124 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2kbx n ALA 124 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2kbx n LEU 125 N -1.64 -6.02 -0.07 0.00 -0.00 -1.26 -4.62 117.00 103.39 2kbx n LEU 125 Ca -0.00 3.05 0.14 0.00 -0.00 0.00 0.00 56.01 59.20 2kbx n LEU 125 Cb 0.17 -2.92 0.57 0.00 -0.00 0.00 0.00 43.42 41.24 2kbx n LEU 125 CO 0.03 -1.00 0.84 0.55 -0.00 0.00 0.00 177.39 177.80 2kbx n VAL 126 N 0.97 0.00 -1.41 1.96 3.14 -1.26 -3.49 118.33 118.23 2kbx n VAL 126 Ca 0.00 -0.04 -0.21 0.00 -2.96 0.00 0.00 64.34 61.14 2kbx n VAL 126 Cb 0.00 -0.14 0.15 0.00 -1.06 0.00 0.00 33.84 32.79 2kbx n VAL 126 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2kbx n SER 127 N -1.14 4.41 0.17 6.55 2.88 -1.26 -4.67 113.62 120.55 2kbx n SER 127 Ca 0.12 -3.73 -0.14 0.00 -1.33 0.00 0.00 58.87 53.79 2kbx n SER 127 Cb 0.29 -0.76 -0.08 0.00 -0.75 0.00 0.00 64.21 62.92 2kbx n SER 127 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 2kbx h ILE 128 N 1.12 0.74 -0.92 2.46 3.07 -1.81 -3.49 117.51 118.68 2kbx h ILE 128 Ca 0.48 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.77 2kbx h ILE 128 Cb 1.87 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 39.24 2kbx h ILE 128 CO 0.97 0.03 0.00 0.00 -1.05 0.00 0.00 178.15 178.09 2kbx s ASN 130 N 0.00 2.67 0.64 0.00 2.47 -1.24 -4.73 114.94 114.76 2kbx s ASN 130 Ca 0.00 1.26 0.41 0.00 0.42 0.00 0.00 52.86 54.95 2kbx s ASN 130 Cb 0.00 -1.93 2.25 0.00 -1.45 0.00 0.00 41.25 40.12 2kbx s ASN 130 CO 0.00 -3.11 2.33 0.11 -3.72 0.00 0.00 177.10 172.71 2kbx h LYS 131 N -1.88 0.00 -0.06 0.43 1.57 -1.87 0.56 116.57 115.32 2kbx h LYS 131 Ca -0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2kbx h LYS 131 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2kbx h LYS 131 CO 0.57 0.00 0.00 0.98 -0.57 0.00 0.00 179.45 180.43 2kbx n TYR 132 N -3.25 0.06 -0.87 -1.35 9.36 -1.26 -4.93 117.16 114.93 2kbx n TYR 132 Ca -0.03 -0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.15 2kbx n TYR 132 Cb 0.09 -0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 2kbx n TYR 132 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2kbx n GLY 133 N 0.96 0.57 3.56 2.98 0.00 0.20 -4.95 105.19 108.49 2kbx n GLY 133 Ca 0.10 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2kbx n GLY 133 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kbx s GLU 134 N -0.16 2.58 -0.01 1.61 -6.30 -1.26 -4.46 118.70 110.70 2kbx s GLU 134 Ca 0.00 0.09 0.01 0.00 -2.50 0.00 0.00 54.97 52.57 2kbx s GLU 134 Cb 0.00 -4.78 -0.04 0.00 0.00 0.00 0.00 34.13 29.31 2kbx s GLU 134 CO 0.00 -3.12 0.02 1.41 0.02 0.00 0.00 175.26 173.59 2kbx s MET 135 N 7.04 2.87 0.47 4.30 -2.45 -1.26 -3.67 119.30 126.60 2kbx s MET 135 Ca 0.69 -0.56 0.26 0.00 -1.25 0.00 0.00 55.69 54.83 2kbx s MET 135 Cb -0.09 -2.73 1.29 0.00 1.25 0.00 0.00 34.83 34.55 2kbx s MET 135 CO 0.08 0.64 1.82 -1.35 1.05 0.00 0.00 175.02 177.26 2kbx h PRO 136 N 4.40 0.21 -1.00 4.11 0.11 -1.92 0.31 132.00 138.21 2kbx h PRO 136 Ca -0.49 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.78 2kbx h PRO 136 Cb 1.18 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.14 2kbx h PRO 136 CO 0.58 0.14 0.62 0.28 -0.21 0.00 0.00 178.00 179.40 2kbx h VAL 137 N 0.21 0.74 0.07 3.15 2.07 -1.94 1.07 116.25 121.63 2kbx h VAL 137 Ca 0.53 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 2kbx h VAL 137 Cb 1.69 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2kbx h VAL 137 CO -0.15 0.14 -0.03 -0.78 0.02 0.00 0.00 177.57 176.77 2kbx h ASP 138 N 0.79 -0.08 0.00 0.57 1.82 -1.31 1.30 116.42 119.51 2kbx h ASP 138 Ca 0.56 -0.51 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2kbx h ASP 138 Cb 0.84 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.87 2kbx h ASP 138 CO -0.35 0.60 0.11 1.17 -1.61 0.00 0.00 179.24 179.16 2kbx n LYS 139 N -4.79 0.12 -0.12 0.28 0.00 -0.84 -0.98 118.16 111.82 2kbx n LYS 139 Ca -0.07 0.61 -0.26 0.00 0.00 0.00 0.00 58.31 58.59 2kbx n LYS 139 Cb 0.29 -1.99 -0.11 0.00 0.00 0.00 0.00 35.03 33.22 2kbx n LYS 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kbx n ALA 140 N -1.69 0.98 0.00 3.14 0.00 0.36 -3.90 120.51 119.41 2kbx n ALA 140 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2kbx n ALA 140 Cb 0.14 -0.23 0.01 0.00 0.00 0.00 0.00 19.45 19.36 2kbx n ALA 140 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kbx n LYS 141 N -4.34 0.00 -0.02 0.00 0.00 0.44 -2.28 118.16 111.97 2kbx n LYS 141 Ca -0.43 0.29 -0.00 0.00 0.00 0.00 0.00 58.31 58.16 2kbx n LYS 141 Cb 0.78 -1.73 -0.00 0.00 0.00 0.00 0.00 35.03 34.08 2kbx n LYS 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kbx h ALA 142 N 1.12 0.00 -0.85 3.14 0.00 -1.46 -3.38 119.26 117.83 2kbx h ALA 142 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.95 2kbx h ALA 142 Cb 0.44 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.14 2kbx h ALA 142 CO 0.00 0.05 -0.42 -1.35 0.00 0.00 0.00 179.25 177.53 2kbx h PRO 143 N -0.41 -0.07 0.00 0.00 0.10 -1.62 -3.45 132.00 126.54 2kbx h PRO 143 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.10 2kbx h PRO 143 Cb 0.05 0.02 0.00 0.00 0.10 0.00 0.00 31.00 31.16 2kbx h PRO 143 CO 0.00 -0.05 0.00 1.47 0.10 0.00 0.00 178.00 179.52 2kbx n LEU 144 N -5.42 0.00 0.00 2.35 -0.00 -1.19 -5.10 117.00 107.65 2kbx n LEU 144 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 2kbx n LEU 144 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.78 2kbx n LEU 144 CO -0.09 0.00 0.49 -2.11 -0.00 0.00 0.00 177.39 175.68 2kbx n ARG 145 N 0.00 0.00 0.00 1.47 0.00 -1.25 -4.69 116.66 112.18 2kbx n ARG 145 Ca 0.00 0.54 0.00 0.00 -0.00 0.00 0.00 57.85 58.39 2kbx n ARG 145 Cb 0.00 -1.49 0.00 0.00 -0.00 0.00 0.00 32.46 30.97 2kbx n ARG 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2kbx n GLU 146 N -2.06 0.00 -0.04 2.89 -0.58 -1.26 -4.56 120.64 115.03 2kbx n GLU 146 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2kbx n GLU 146 Cb 0.00 -2.60 -0.00 0.00 -0.57 0.00 0.00 31.44 28.27 2kbx n GLU 146 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2kbx h LEU 147 N 0.00 0.00 -1.49 -4.62 4.07 -2.00 -2.79 115.31 108.48 2kbx h LEU 147 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kbx h LEU 147 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2kbx h LEU 147 CO 0.00 0.39 0.04 0.17 -1.08 0.00 0.00 178.44 177.96 2kbx h LEU 148 N -0.77 0.00 0.01 1.67 8.10 -1.98 -0.71 115.31 121.62 2kbx h LEU 148 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kbx h LEU 148 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 2kbx h LEU 148 CO 0.00 0.00 -0.01 -0.09 -4.11 0.00 0.00 178.44 174.23 2kbx h ARG 149 N 0.00 -0.02 0.00 0.17 1.12 -1.89 -2.19 114.38 111.57 2kbx h ARG 149 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.81 2kbx h ARG 149 Cb 0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.04 2kbx h ARG 149 CO 0.00 0.65 -0.29 1.05 -3.11 0.00 0.00 179.97 178.26 2kbx h GLU 150 N -0.70 0.00 -0.03 0.20 -0.00 -0.93 -1.92 114.58 111.21 2kbx h GLU 150 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.27 2kbx h GLU 150 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.41 2kbx h GLU 150 CO 0.00 0.29 -0.41 -0.09 -0.00 0.00 0.00 179.01 178.80 2kbx h ARG 151 N 0.00 0.06 0.09 1.06 9.65 -1.14 -2.63 114.38 121.47 2kbx h ARG 151 Ca -0.00 -0.03 -0.28 0.00 -1.10 0.00 0.00 59.98 58.57 2kbx h ARG 151 Cb 0.80 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.37 2kbx h ARG 151 CO 0.04 0.46 -1.39 0.00 2.80 0.00 0.00 179.97 181.88 2kbx h ALA 152 N 1.54 0.28 -0.79 2.80 0.00 -0.93 -3.02 119.26 119.15 2kbx h ALA 152 Ca 0.00 -1.05 0.07 0.00 0.00 0.00 0.00 54.91 53.93 2kbx h ALA 152 Cb 0.75 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2kbx h ALA 152 CO 0.06 1.15 0.52 0.93 0.00 0.00 0.00 179.25 181.90 2kbx h GLU 153 N 0.05 0.80 -0.27 0.00 5.08 -1.05 0.89 114.58 120.08 2kbx h GLU 153 Ca -0.18 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2kbx h GLU 153 Cb 1.97 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2kbx h GLU 153 CO 0.16 0.53 0.00 0.36 -1.00 0.00 0.00 179.01 179.06 2kbx n LYS 154 N -4.49 2.09 0.09 2.33 2.85 -1.02 -2.69 118.16 117.32 2kbx n LYS 154 Ca 0.12 -1.65 0.12 0.00 -1.05 0.00 0.00 58.31 55.85 2kbx n LYS 154 Cb 0.24 -1.45 0.23 0.00 -0.65 0.00 0.00 35.03 33.40 2kbx n LYS 154 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 2kbx h MET 155 N 3.27 0.00 0.00 -1.58 4.05 -0.67 -3.47 114.93 116.53 2kbx h MET 155 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kbx h MET 155 Cb 0.72 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 2kbx h MET 155 CO 0.00 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.55 2kbx n GLY 156 N 1.30 0.75 0.00 1.39 0.00 -1.20 -5.07 105.19 102.36 2kbx n GLY 156 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2kbx n GLY 156 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kbx n GLN 157 N 0.00 0.00 -0.00 1.61 7.27 -1.26 -4.97 117.38 120.03 2kbx n GLN 157 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.07 2kbx n GLN 157 Cb 0.00 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 32.65 2kbx n GLN 157 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2kbx n ASN 158 N -0.42 4.41 -4.09 1.69 4.13 -1.22 -4.81 115.26 114.95 2kbx n ASN 158 Ca 0.00 -0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.83 2kbx n ASN 158 Cb 0.00 0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 2kbx n ASN 158 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kbx n LEU 159 N -2.29 6.14 -4.43 3.41 7.99 -1.10 -4.95 117.00 121.78 2kbx n LEU 159 Ca -0.00 -4.77 -0.42 0.00 -0.01 0.00 0.00 56.01 50.81 2kbx n LEU 159 Cb 0.50 -1.47 -0.11 0.00 -0.11 0.00 0.00 43.42 42.24 2kbx n LEU 159 CO 0.00 1.29 -0.12 0.54 -1.51 0.00 0.00 177.39 177.60 2kbx s ASN 160 N 0.79 5.93 0.82 -1.43 2.20 -1.26 -4.86 114.94 117.12 2kbx s ASN 160 Ca 0.37 -0.89 -0.15 0.00 -0.94 0.00 0.00 52.86 51.25 2kbx s ASN 160 Cb 0.03 -2.09 -0.01 0.00 -2.00 0.00 0.00 41.25 37.18 2kbx s ASN 160 CO 0.02 -0.40 0.48 -2.11 -2.94 0.00 0.00 177.10 172.14 2kbx n ARG 161 N 5.08 0.06 -1.58 3.55 1.85 -1.26 -4.72 116.66 119.64 2kbx n ARG 161 Ca -0.12 0.07 -0.44 0.00 -1.00 0.00 0.00 57.85 56.36 2kbx n ARG 161 Cb 0.47 -1.84 -0.04 0.00 -1.05 0.00 0.00 32.46 30.00 2kbx n ARG 161 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 2kbx n ILE 162 N -2.89 0.35 -2.02 8.89 -5.35 -1.26 -4.91 119.36 112.17 2kbx n ILE 162 Ca 0.09 -0.42 -0.38 0.00 -0.27 0.00 0.00 62.75 61.77 2kbx n ILE 162 Cb 0.51 -2.43 0.01 0.00 -1.74 0.00 0.00 39.64 36.00 2kbx n ILE 162 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2kbx s PRO 163 N 6.21 3.56 0.41 6.28 0.05 -1.26 -4.97 135.00 145.28 2kbx s PRO 163 Ca 1.01 2.05 -0.24 0.00 0.05 0.00 0.00 61.00 63.87 2kbx s PRO 163 Cb -0.41 -2.43 -0.09 0.00 0.05 0.00 0.00 34.50 31.63 2kbx s PRO 163 CO 0.38 -0.79 1.07 0.71 0.05 0.00 0.00 177.00 178.41 2kbx s TYR 164 N -1.38 3.19 -1.80 0.56 2.02 -1.26 -2.57 117.35 116.11 2kbx s TYR 164 Ca 0.65 1.62 0.00 0.00 -0.37 0.00 0.00 57.07 58.97 2kbx s TYR 164 Cb -0.35 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.04 2kbx s TYR 164 CO 0.43 -0.79 0.00 1.63 -1.57 0.00 0.00 175.55 175.25 2kbx n LYS 165 N -0.18 -1.46 -0.05 -0.62 4.76 -1.26 -4.87 118.16 114.49 2kbx n LYS 165 Ca 0.06 1.09 -0.08 0.00 -2.87 0.00 0.00 58.31 56.51 2kbx n LYS 165 Cb 0.49 -5.45 -0.05 0.00 -1.84 0.00 0.00 35.03 28.18 2kbx n LYS 165 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 2kbx h ASP 166 N 0.00 -0.95 0.00 4.39 3.58 -1.88 -3.41 116.42 118.15 2kbx h ASP 166 Ca -0.35 0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.19 2kbx h ASP 166 Cb 1.25 0.38 -0.03 0.00 1.72 0.00 0.00 39.33 42.65 2kbx h ASP 166 CO 0.51 -0.23 -0.07 0.41 -2.88 0.00 0.00 179.24 176.98 2kbx n THR 167 N -4.08 0.00 -3.14 2.25 -1.04 -1.26 -5.05 114.28 101.96 2kbx n THR 167 Ca -0.02 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.94 2kbx n THR 167 Cb 0.19 0.12 -0.02 0.00 -1.82 0.00 0.00 70.33 68.80 2kbx n THR 167 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2kbx s PHE 168 N 0.00 -1.36 0.00 -1.42 -0.12 -1.26 -4.91 117.98 108.91 2kbx s PHE 168 Ca 0.00 -0.21 0.00 0.00 -0.05 0.00 0.00 56.93 56.67 2kbx s PHE 168 Cb 0.00 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.54 2kbx s PHE 168 CO 0.00 -1.15 0.00 0.91 -0.05 0.00 0.00 175.22 174.93 2kbx n TRP 169 N 3.99 0.00 0.49 3.49 7.02 -1.26 -4.84 117.44 126.33 2kbx n TRP 169 Ca 0.13 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.67 2kbx n TRP 169 Cb 0.54 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.43 2kbx n TRP 169 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2kbx n LYS 170 N -0.33 2.13 0.00 -0.99 4.81 -1.26 -5.13 118.16 117.40 2kbx n LYS 170 Ca 0.00 -0.59 0.00 0.00 -0.87 0.00 0.00 58.31 56.85 2kbx n LYS 170 Cb 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 33.94 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98