#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbx s ASP 2 N 0.00 -0.11 1.39 6.12 1.47 -1.26 -4.67 116.67 119.60 2kbx s ASP 2 Ca 0.00 -0.25 0.00 0.00 1.18 0.00 0.00 52.55 53.48 2kbx s ASP 2 Cb 0.00 0.31 0.00 0.00 -0.34 0.00 0.00 42.92 42.89 2kbx s ASP 2 CO 0.00 -0.57 0.00 0.47 0.68 0.00 0.00 175.17 175.75 2kbx n ASP 3 N -0.48 0.00 -0.06 2.11 8.00 -1.26 -1.75 116.55 123.12 2kbx n ASP 3 Ca -0.07 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 2kbx n ASP 3 Cb 0.62 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.66 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 1.31 -0.68 0.53 3.07 -1.99 0.23 117.51 119.97 2kbx h ILE 4 Ca 0.00 -1.09 0.14 0.00 1.55 0.00 0.00 64.86 65.46 2kbx h ILE 4 Cb 0.00 1.68 -0.13 0.00 -0.27 0.00 0.00 36.82 38.10 2kbx h ILE 4 CO 0.00 0.32 -0.17 -0.26 -1.05 0.00 0.00 178.15 176.99 2kbx h PHE 5 N 0.02 -0.37 0.11 0.16 0.04 -1.74 1.65 116.94 116.80 2kbx h PHE 5 Ca 0.04 0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 2kbx h PHE 5 Cb 0.53 0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.95 2kbx h PHE 5 CO 0.06 -0.30 -0.05 1.15 -0.60 0.00 0.00 178.31 178.57 2kbx h THR 6 N -0.00 0.95 0.00 -1.55 2.02 -1.43 -2.87 112.91 110.02 2kbx h THR 6 Ca 0.33 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 66.19 2kbx h THR 6 Cb 0.50 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2kbx h THR 6 CO -0.71 0.27 0.00 0.00 0.37 0.00 0.00 175.52 175.45 2kbx n GLN 7 N -4.85 0.12 -0.07 6.66 6.02 0.79 -1.62 117.38 124.42 2kbx n GLN 7 Ca -0.07 0.07 -0.22 0.00 -0.01 0.00 0.00 57.00 56.76 2kbx n GLN 7 Cb 0.27 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.91 2kbx n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kbx n ARG 9 N -3.87 0.21 0.00 0.00 1.74 -0.64 -3.19 116.66 110.90 2kbx n ARG 9 Ca -0.37 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 2kbx n ARG 9 Cb 0.90 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 2kbx n ARG 9 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kbx n GLU 10 N -2.16 0.00 -0.18 5.56 -0.58 -0.72 -4.57 120.64 117.99 2kbx n GLU 10 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 2kbx n GLU 10 Cb 0.34 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 2kbx n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kbx n GLY 11 N -0.86 0.91 2.28 0.62 0.00 -1.21 -4.95 105.19 101.98 2kbx n GLY 11 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 8.23 -0.09 1.61 3.02 -1.19 -4.65 115.26 122.19 2kbx n ASN 12 Ca 0.00 -2.60 0.21 0.00 -0.03 0.00 0.00 54.58 52.16 2kbx n ASN 12 Cb 0.00 -1.52 0.33 0.00 -0.61 0.00 0.00 39.78 37.97 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbx n ALA 13 N 3.28 0.76 0.08 5.41 0.00 -1.26 0.36 120.51 129.14 2kbx n ALA 13 Ca 0.73 0.26 -0.09 0.00 0.00 0.00 0.00 53.44 54.33 2kbx n ALA 13 Cb 0.33 -0.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 2kbx n ALA 13 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2kbx h VAL 14 N 0.00 1.51 0.11 0.00 3.04 -1.93 -3.07 116.25 115.91 2kbx h VAL 14 Ca 0.37 -2.71 -0.28 0.00 -1.01 0.00 0.00 66.70 63.07 2kbx h VAL 14 Cb 2.71 2.54 0.02 0.00 -2.01 0.00 0.00 31.29 34.55 2kbx h VAL 14 CO -0.00 0.79 -1.21 0.00 -1.01 0.00 0.00 177.57 176.14 2kbx h ALA 15 N 0.93 0.09 -0.86 3.17 0.00 0.61 -2.56 119.26 120.63 2kbx h ALA 15 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2kbx h ALA 15 Cb 1.57 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 2kbx h ALA 15 CO 0.14 0.80 0.55 -0.39 0.00 0.00 0.00 179.25 180.36 2kbx h VAL 16 N 0.19 1.23 -0.14 0.00 -1.51 -1.42 -1.08 116.25 113.52 2kbx h VAL 16 Ca -0.16 -0.44 -0.11 0.00 -1.23 0.00 0.00 66.70 64.76 2kbx h VAL 16 Cb 1.89 -0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 31.02 2kbx h VAL 16 CO 0.22 0.23 -0.41 0.08 -1.23 0.00 0.00 177.57 176.45 2kbx h ARG 17 N 1.17 0.31 -0.28 5.19 0.11 -1.56 -2.07 114.38 117.25 2kbx h ARG 17 Ca 0.31 -0.15 0.05 0.00 0.10 0.00 0.00 59.98 60.29 2kbx h ARG 17 Cb -0.11 -0.00 -0.08 0.00 1.11 0.00 0.00 29.97 30.89 2kbx h ARG 17 CO -0.06 0.68 -0.49 1.25 0.10 0.00 0.00 179.97 181.44 2kbx h LEU 18 N 0.26 -1.61 -0.48 0.08 5.85 -0.76 1.33 115.31 119.98 2kbx h LEU 18 Ca 0.02 0.21 -0.17 0.00 0.84 0.00 0.00 57.88 58.79 2kbx h LEU 18 Cb 0.84 0.66 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 2kbx h LEU 18 CO 0.07 -0.42 -0.75 4.11 -0.34 0.00 0.00 178.44 181.11 2kbx h TRP 19 N -0.45 0.21 -0.20 1.25 5.08 -1.49 -3.11 115.95 117.24 2kbx h TRP 19 Ca 0.08 -0.10 -0.11 0.00 1.08 0.00 0.00 58.89 59.85 2kbx h TRP 19 Cb 0.63 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 26.74 2kbx h TRP 19 CO -0.62 0.84 -0.33 1.25 -1.28 0.00 0.00 178.44 178.30 2kbx h LEU 20 N 0.10 0.44 -3.23 0.11 6.46 -0.55 -2.97 115.31 115.66 2kbx h LEU 20 Ca -0.02 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.55 2kbx h LEU 20 Cb 1.31 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 2kbx h LEU 20 CO 0.11 0.75 -0.04 -0.67 -0.62 0.00 0.00 178.44 177.97 2kbx n ASP 21 N -4.07 4.85 -4.73 1.25 2.03 0.45 -4.84 116.55 111.48 2kbx n ASP 21 Ca -0.01 -2.30 -0.37 0.00 0.52 0.00 0.00 54.79 52.64 2kbx n ASP 21 Cb 0.45 -1.06 -0.07 0.00 -0.72 0.00 0.00 41.12 39.72 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 2.01 6.52 0.00 1.67 0.02 -1.13 -4.94 114.94 119.10 2kbx s ASN 22 Ca 0.08 0.62 0.29 0.00 -1.02 0.00 0.00 52.86 52.83 2kbx s ASN 22 Cb 0.04 -2.22 1.54 0.00 0.02 0.00 0.00 41.25 40.63 2kbx s ASN 22 CO 0.00 0.07 2.02 0.35 0.02 0.00 0.00 177.10 179.56 2kbx n THR 23 N 3.56 0.05 0.08 1.60 -2.24 -1.26 -3.07 114.28 113.00 2kbx n THR 23 Ca -0.10 0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 2kbx n THR 23 Cb 0.52 -0.55 -0.13 0.00 -2.10 0.00 0.00 70.33 68.07 2kbx n THR 23 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2kbx h GLU 24 N 0.00 0.13 -5.64 -0.78 5.08 -1.97 -3.48 114.58 107.92 2kbx h GLU 24 Ca 0.00 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 57.98 2kbx h GLU 24 Cb 0.17 0.08 0.05 0.00 0.50 0.00 0.00 28.75 29.56 2kbx h GLU 24 CO 0.00 1.08 -0.40 0.09 -1.00 0.00 0.00 179.01 178.78 2kbx n ASN 25 N -3.42 -6.97 0.00 1.42 5.03 -1.17 -4.91 115.26 105.23 2kbx n ASN 25 Ca -0.05 -0.41 0.00 0.00 0.87 0.00 0.00 54.58 54.99 2kbx n ASN 25 Cb 0.99 -4.67 0.00 0.00 -1.02 0.00 0.00 39.78 35.08 2kbx n ASN 25 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kbx n ASP 26 N -2.27 0.00 0.00 6.41 8.00 -1.26 -4.80 116.55 122.63 2kbx n ASP 26 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2kbx n ASP 26 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 2kbx n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kbx n LEU 27 N -1.37 0.00 -1.30 0.64 4.77 -1.26 -1.97 117.00 116.52 2kbx n LEU 27 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2kbx n LEU 27 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2kbx n LEU 27 CO 0.00 -0.27 0.50 0.59 -1.33 0.00 0.00 177.39 176.89 2kbx n ASN 28 N -1.24 2.82 -4.76 -1.43 4.13 -1.26 -4.81 115.26 108.71 2kbx n ASN 28 Ca 0.00 -1.66 -0.40 0.00 1.68 0.00 0.00 54.58 54.21 2kbx n ASN 28 Cb 0.18 -0.55 -0.05 0.00 -1.54 0.00 0.00 39.78 37.82 2kbx n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kbx s GLN 29 N 0.45 4.54 0.00 3.52 -2.07 -0.83 -4.89 119.66 120.37 2kbx s GLN 29 Ca 0.00 1.13 0.00 0.00 -1.82 0.00 0.00 55.36 54.67 2kbx s GLN 29 Cb 0.00 -3.32 0.00 0.00 -1.09 0.00 0.00 33.01 28.60 2kbx s GLN 29 CO 0.00 0.40 0.00 0.41 -1.32 0.00 0.00 175.29 174.78 2kbx n GLY 30 N 2.03 -0.14 3.26 2.60 0.00 -1.26 -4.75 105.19 106.93 2kbx n GLY 30 Ca -0.03 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 2kbx n GLY 30 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kbx n ASP 31 N 0.00 0.59 0.03 1.61 5.75 -0.11 -4.87 116.55 119.56 2kbx n ASP 31 Ca 0.00 -3.15 0.02 0.00 -0.01 0.00 0.00 54.79 51.65 2kbx n ASP 31 Cb 0.00 1.22 0.36 0.00 -1.03 0.00 0.00 41.12 41.68 2kbx n ASP 31 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2kbx h ASP 32 N 1.74 0.42 0.19 -1.12 3.32 -1.99 -0.83 116.42 118.14 2kbx h ASP 32 Ca -0.29 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2kbx h ASP 32 Cb 1.19 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2kbx h ASP 32 CO 0.44 0.44 -0.01 1.41 -1.72 0.00 0.00 179.24 179.81 2kbx n HIS 33 N -4.34 0.00 -0.41 4.55 8.25 -1.26 -4.86 115.22 117.15 2kbx n HIS 33 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2kbx n HIS 33 Cb 0.19 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 1.11 0.79 3.71 -1.41 0.00 -0.32 -4.35 105.19 104.72 2kbx n GLY 34 Ca 0.20 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 2.99 0.20 1.61 0.08 -1.26 -4.64 117.98 114.96 2kbx s PHE 35 Ca 0.00 0.67 0.04 0.00 0.12 0.00 0.00 56.93 57.77 2kbx s PHE 35 Cb 0.00 -3.85 -0.03 0.00 -0.57 0.00 0.00 43.02 38.57 2kbx s PHE 35 CO 0.00 -3.15 0.29 -1.54 -0.10 0.00 0.00 175.22 170.72 2kbx s SER 36 N 1.41 6.15 0.20 1.36 1.04 -1.26 -0.94 113.70 121.66 2kbx s SER 36 Ca 0.69 0.05 -0.10 0.00 0.48 0.00 0.00 55.95 57.07 2kbx s SER 36 Cb -0.40 -1.78 0.25 0.00 0.10 0.00 0.00 66.02 64.19 2kbx s SER 36 CO 0.31 -0.01 1.76 -0.65 0.98 0.00 0.00 173.24 175.63 2kbx h PRO 37 N 1.70 0.46 -0.85 4.02 0.11 -1.90 -0.90 132.00 134.64 2kbx h PRO 37 Ca -0.50 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.72 2kbx h PRO 37 Cb 1.21 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.13 2kbx h PRO 37 CO 0.64 0.31 0.44 -0.07 -0.21 0.00 0.00 178.00 179.11 2kbx h LEU 38 N 0.48 0.56 0.26 2.35 3.38 -1.97 0.45 115.31 120.81 2kbx h LEU 38 Ca 0.30 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 2kbx h LEU 38 Cb 0.31 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2kbx h LEU 38 CO -0.26 0.25 -0.18 0.45 0.09 0.00 0.00 178.44 178.79 2kbx h HIS 39 N 0.65 -0.48 -0.58 1.13 3.86 -1.56 1.21 115.15 119.39 2kbx h HIS 39 Ca 0.45 -0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.78 2kbx h HIS 39 Cb 0.60 0.18 -0.10 0.00 1.06 0.00 0.00 27.41 29.15 2kbx h HIS 39 CO -0.09 -0.26 -0.01 -1.49 0.86 0.00 0.00 177.93 176.95 2kbx h TRP 40 N -0.41 -0.06 0.20 2.45 4.06 -1.14 -1.51 115.95 119.54 2kbx h TRP 40 Ca -0.03 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.96 2kbx h TRP 40 Cb 0.34 0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.60 2kbx h TRP 40 CO -0.02 -0.16 -0.20 0.00 -3.56 0.00 0.00 178.44 174.50 2kbx h ALA 41 N 1.53 -0.41 -1.18 1.49 0.00 0.24 0.13 119.26 121.06 2kbx h ALA 41 Ca 0.30 -0.06 0.34 0.00 0.00 0.00 0.00 54.91 55.49 2kbx h ALA 41 Cb 0.47 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2kbx h ALA 41 CO -0.50 -0.76 0.89 0.00 0.00 0.00 0.00 179.25 178.88 2kbx h ARG 43 N 0.00 0.00 0.23 0.00 2.47 -0.76 -3.39 114.38 112.93 2kbx h ARG 43 Ca 0.56 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.28 2kbx h ARG 43 Cb 2.33 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.62 2kbx h ARG 43 CO -0.01 0.73 -0.39 0.93 0.56 0.00 0.00 179.97 181.79 2kbx h GLU 44 N -1.00 -0.63 0.00 0.04 4.39 0.57 -3.47 114.58 114.47 2kbx h GLU 44 Ca -0.08 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kbx h GLU 44 Cb 0.84 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2kbx h GLU 44 CO -0.05 -0.42 0.00 0.41 -1.16 0.00 0.00 179.01 177.79 2kbx n GLY 45 N -1.39 0.99 3.58 -3.84 0.00 -0.25 -5.03 105.19 99.25 2kbx n GLY 45 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 2kbx n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kbx s ARG 46 N -0.06 1.75 0.28 1.61 0.52 -1.26 -4.74 118.95 117.05 2kbx s ARG 46 Ca 0.00 -0.75 -0.01 0.00 -0.52 0.00 0.00 55.73 54.45 2kbx s ARG 46 Cb 0.00 -5.10 0.63 0.00 0.52 0.00 0.00 34.95 31.01 2kbx s ARG 46 CO 0.00 -4.84 1.61 1.03 0.02 0.00 0.00 175.30 173.12 2kbx h SER 47 N 10.79 -0.30 0.00 0.23 0.87 -1.95 -2.77 113.55 120.41 2kbx h SER 47 Ca 0.10 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 2kbx h SER 47 Cb 0.97 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2kbx h SER 47 CO 1.11 -0.24 0.00 0.00 -0.53 0.00 0.00 176.83 177.17 2kbx n ALA 48 N -2.95 -0.07 -0.19 6.23 0.00 -1.26 0.67 120.51 122.94 2kbx n ALA 48 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.60 2kbx n ALA 48 Cb 0.64 0.26 0.03 0.00 0.00 0.00 0.00 19.45 20.38 2kbx n ALA 48 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2kbx h VAL 49 N 0.00 0.27 0.00 0.00 -1.51 -1.91 0.19 116.25 113.28 2kbx h VAL 49 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2kbx h VAL 49 Cb 0.00 0.27 -0.00 0.00 -2.13 0.00 0.00 31.29 29.42 2kbx h VAL 49 CO 0.00 0.00 -0.04 1.62 -1.23 0.00 0.00 177.57 177.92 2kbx h VAL 50 N -0.11 0.15 0.05 7.19 3.04 -1.27 -2.06 116.25 123.23 2kbx h VAL 50 Ca 0.25 -0.42 -0.00 0.00 -1.01 0.00 0.00 66.70 65.52 2kbx h VAL 50 Cb 0.51 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 2kbx h VAL 50 CO -0.64 0.04 -0.02 -0.08 -1.01 0.00 0.00 177.57 175.86 2kbx h GLU 51 N 0.00 -0.06 0.00 4.17 4.22 0.32 -2.91 114.58 120.32 2kbx h GLU 51 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2kbx h GLU 51 Cb 0.35 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2kbx h GLU 51 CO 0.01 0.45 0.00 0.00 -2.18 0.00 0.00 179.01 177.29 2kbx h MET 52 N -0.96 0.00 0.00 1.92 -0.00 -1.06 -3.11 114.93 111.72 2kbx h MET 52 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.62 2kbx h MET 52 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.13 2kbx h MET 52 CO 0.01 0.00 -0.38 1.25 -0.00 0.00 0.00 176.91 177.79 2kbx h LEU 53 N 0.00 0.00 -1.63 -0.10 6.46 -1.44 -3.06 115.31 115.55 2kbx h LEU 53 Ca 0.00 -0.81 0.28 0.00 -0.12 0.00 0.00 57.88 57.24 2kbx h LEU 53 Cb 0.29 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 2kbx h LEU 53 CO 0.00 1.13 0.93 0.40 -0.62 0.00 0.00 178.44 180.28 2kbx h ILE 54 N -1.00 0.19 0.00 4.05 1.08 -1.44 1.20 117.51 121.60 2kbx h ILE 54 Ca -0.10 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2kbx h ILE 54 Cb 1.05 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 35.08 2kbx h ILE 54 CO -0.06 0.00 -1.26 0.23 -0.69 0.00 0.00 178.15 176.37 2kbx n MET 55 N -3.64 0.62 -0.36 2.37 2.81 -1.24 -4.05 117.12 113.62 2kbx n MET 55 Ca 0.21 0.05 -0.01 0.00 -1.81 0.00 0.00 57.70 56.15 2kbx n MET 55 Cb 1.25 -1.75 0.13 0.00 -0.71 0.00 0.00 33.22 32.14 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 1.21 0.00 0.03 2.47 0.16 -3.44 114.38 114.80 2kbx h ARG 56 Ca -0.01 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2kbx h ARG 56 Cb 1.02 -0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 2kbx h ARG 56 CO 0.00 0.80 0.00 0.41 0.56 0.00 0.00 179.97 181.74 2kbx n GLY 57 N -1.36 0.00 3.76 0.04 0.00 -1.21 -5.13 105.19 101.30 2kbx n GLY 57 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 3.60 0.41 4.61 0.00 -1.26 -5.09 121.76 124.03 2kbx s ALA 58 Ca 0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.10 2kbx s ALA 58 Cb 0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 23.12 21.20 2kbx s ALA 58 CO 0.00 0.48 0.85 1.03 0.00 0.00 0.00 175.76 178.11 2kbx s ARG 59 N -0.57 3.97 0.06 0.00 3.00 -1.26 -4.88 118.95 119.27 2kbx s ARG 59 Ca 0.11 0.77 0.25 0.00 0.00 0.00 0.00 55.73 56.86 2kbx s ARG 59 Cb -0.12 -2.30 0.53 0.00 0.00 0.00 0.00 34.95 33.06 2kbx s ARG 59 CO 0.02 -0.03 1.45 -0.89 0.00 0.00 0.00 175.30 175.84 2kbx n ILE 60 N -0.97 0.17 1.25 1.52 2.08 -1.26 -3.69 119.36 118.46 2kbx n ILE 60 Ca 0.05 -0.12 0.14 0.00 0.56 0.00 0.00 62.75 63.37 2kbx n ILE 60 Cb 0.54 -0.02 0.66 0.00 -0.75 0.00 0.00 39.64 40.06 2kbx n ILE 60 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2kbx n ASN 61 N -1.78 0.09 -4.52 4.38 0.23 -1.26 -4.69 115.26 107.71 2kbx n ASN 61 Ca 0.05 0.02 -0.47 0.00 -0.53 0.00 0.00 54.58 53.65 2kbx n ASN 61 Cb 0.38 -0.30 -0.03 0.00 -2.08 0.00 0.00 39.78 37.75 2kbx n ASN 61 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 2kbx n VAL 62 N -1.33 1.64 -5.18 3.53 0.24 -1.24 -4.96 118.33 111.03 2kbx n VAL 62 Ca 0.11 -0.41 -0.31 0.00 -2.04 0.00 0.00 64.34 61.69 2kbx n VAL 62 Cb 0.29 -0.61 -0.17 0.00 -1.47 0.00 0.00 33.84 31.88 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 -1.04 2.87 0.75 7.34 -1.94 -1.26 -4.54 119.30 121.48 2kbx s MET 63 Ca 0.65 -0.85 -0.13 0.00 -1.71 0.00 0.00 55.69 53.65 2kbx s MET 63 Cb -0.83 -2.21 0.05 0.00 2.01 0.00 0.00 34.83 33.84 2kbx s MET 63 CO 0.57 0.20 1.13 1.21 -0.01 0.00 0.00 175.02 178.12 2kbx s ASN 64 N 0.28 4.40 0.00 3.03 3.04 -1.04 -4.79 114.94 119.86 2kbx s ASN 64 Ca -0.16 2.05 0.00 0.00 0.04 0.00 0.00 52.86 54.79 2kbx s ASN 64 Cb -0.17 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 36.99 2kbx s ASN 64 CO 0.08 -2.11 0.59 -2.11 -3.04 0.00 0.00 177.10 170.51 2kbx n ARG 65 N -3.09 0.00 -2.53 0.43 -4.01 -1.26 -1.12 116.66 105.07 2kbx n ARG 65 Ca 0.11 0.17 -0.18 0.00 -1.04 0.00 0.00 57.85 56.91 2kbx n ARG 65 Cb 0.52 -1.61 0.02 0.00 -3.04 0.00 0.00 32.46 28.35 2kbx n ARG 65 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kbx n GLY 66 N -1.09 4.09 3.24 2.89 0.00 -1.26 -5.02 105.19 108.03 2kbx n GLY 66 Ca 0.00 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 2kbx n GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kbx n ASP 67 N -0.35 -6.41 -3.18 1.61 5.75 -0.28 -4.99 116.55 108.70 2kbx n ASP 67 Ca 0.26 0.32 0.02 0.00 -0.01 0.00 0.00 54.79 55.38 2kbx n ASP 67 Cb 0.75 -1.94 -0.02 0.00 -1.03 0.00 0.00 41.12 38.89 2kbx n ASP 67 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kbx s ASP 68 N -1.21 -1.13 0.38 -1.12 -1.08 -1.26 -4.86 116.67 106.40 2kbx s ASP 68 Ca 0.11 0.65 -0.04 0.00 -0.52 0.00 0.00 52.55 52.75 2kbx s ASP 68 Cb -0.01 1.97 -0.04 0.00 -1.46 0.00 0.00 42.92 43.37 2kbx s ASP 68 CO 0.31 -0.27 0.65 0.42 0.52 0.00 0.00 175.17 176.79 2kbx s THR 69 N 2.80 4.99 0.29 1.71 -4.23 -1.26 -2.51 115.64 117.43 2kbx s THR 69 Ca 0.18 -0.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.71 2kbx s THR 69 Cb -0.14 -3.82 0.29 0.00 1.34 0.00 0.00 72.50 70.16 2kbx s THR 69 CO -0.21 -0.60 1.80 -0.65 -0.54 0.00 0.00 174.62 174.41 2kbx h PRO 70 N 0.83 0.81 -0.03 3.99 0.10 -1.83 -2.06 132.00 133.81 2kbx h PRO 70 Ca -0.48 -0.05 0.04 0.00 0.10 0.00 0.00 66.00 65.61 2kbx h PRO 70 Cb 1.20 -0.18 -0.06 0.00 0.10 0.00 0.00 31.00 32.06 2kbx h PRO 70 CO 0.63 0.54 -0.38 -0.07 0.10 0.00 0.00 178.00 178.82 2kbx h LEU 71 N 0.84 -1.15 0.03 2.35 4.07 -1.93 2.21 115.31 121.73 2kbx h LEU 71 Ca 0.54 0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.65 2kbx h LEU 71 Cb 0.73 0.46 -0.02 0.00 1.08 0.00 0.00 40.66 42.92 2kbx h LEU 71 CO -0.34 -0.42 -0.18 0.45 -1.08 0.00 0.00 178.44 176.87 2kbx h HIS 72 N -0.51 -0.53 -0.76 1.13 3.86 -1.76 0.21 115.15 116.79 2kbx h HIS 72 Ca 0.06 0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.45 2kbx h HIS 72 Cb 0.61 0.23 -0.11 0.00 1.06 0.00 0.00 27.41 29.20 2kbx h HIS 72 CO -0.41 -0.20 0.21 -0.07 0.86 0.00 0.00 177.93 178.32 2kbx h LEU 73 N -0.25 0.06 -0.10 2.43 3.38 -1.15 0.36 115.31 120.03 2kbx h LEU 73 Ca -0.00 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2kbx h LEU 73 Cb 0.26 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2kbx h LEU 73 CO -0.11 -0.03 -0.20 0.00 0.09 0.00 0.00 178.44 178.20 2kbx h ALA 74 N 1.62 -0.17 -0.22 1.53 0.00 0.47 0.26 119.26 122.76 2kbx h ALA 74 Ca 0.43 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 2kbx h ALA 74 Cb 0.75 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2kbx h ALA 74 CO -0.51 -0.66 -0.23 0.00 0.00 0.00 0.00 179.25 177.85 2kbx h ALA 75 N 0.72 1.20 0.00 0.00 0.00 0.77 -1.19 119.26 120.76 2kbx h ALA 75 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kbx h ALA 75 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kbx h ALA 75 CO -0.26 0.52 0.00 0.43 0.00 0.00 0.00 179.25 179.94 2kbx n SER 76 N -4.14 0.00 -0.07 0.00 7.64 0.11 -3.57 113.62 113.59 2kbx n SER 76 Ca -0.00 -0.69 -0.04 0.00 1.01 0.00 0.00 58.87 59.15 2kbx n SER 76 Cb 0.38 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.54 2kbx n SER 76 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2kbx h HIS 77 N 0.00 0.00 0.00 1.43 2.76 0.75 -3.49 115.15 116.60 2kbx h HIS 77 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2kbx h HIS 77 Cb 0.02 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.98 2kbx h HIS 77 CO 0.00 0.01 0.00 0.41 -1.30 0.00 0.00 177.93 177.05 2kbx n GLY 78 N 1.65 0.93 3.56 5.26 0.00 -1.22 -5.05 105.19 110.32 2kbx n GLY 78 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.58 2.37 0.56 1.61 3.76 -1.26 -4.80 115.29 116.95 2kbx s HIS 79 Ca 0.00 -0.53 0.34 0.00 -0.15 0.00 0.00 55.06 54.72 2kbx s HIS 79 Cb 0.00 -4.56 1.49 0.00 1.11 0.00 0.00 32.58 30.62 2kbx s HIS 79 CO 0.00 -1.89 1.79 0.07 -0.85 0.00 0.00 174.74 173.86 2kbx h ARG 80 N 10.10 0.00 0.55 1.40 -0.00 -1.97 -1.75 114.38 122.71 2kbx h ARG 80 Ca 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.14 2kbx h ARG 80 Cb 1.01 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.96 2kbx h ARG 80 CO 1.38 0.00 -0.42 0.22 -0.00 0.00 0.00 179.97 181.15 2kbx h ASP 81 N 0.00 -1.12 -0.98 0.08 3.58 -1.98 -1.14 116.42 114.86 2kbx h ASP 81 Ca 0.48 0.08 0.27 0.00 0.42 0.00 0.00 57.03 58.28 2kbx h ASP 81 Cb 2.06 0.35 -0.05 0.00 1.72 0.00 0.00 39.33 43.41 2kbx h ASP 81 CO -0.01 -0.61 0.69 -0.29 -2.88 0.00 0.00 179.24 176.14 2kbx h ILE 82 N -0.95 0.53 0.48 2.25 2.10 -1.70 -1.69 117.51 118.53 2kbx h ILE 82 Ca -0.06 -0.03 -0.02 0.00 1.08 0.00 0.00 64.86 65.82 2kbx h ILE 82 Cb 0.80 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 2kbx h ILE 82 CO 0.01 0.02 -0.23 0.58 -1.08 0.00 0.00 178.15 177.44 2kbx h VAL 83 N 0.09 0.36 -1.00 2.19 2.07 -1.25 -2.62 116.25 116.08 2kbx h VAL 83 Ca 0.48 -0.49 0.17 0.00 0.82 0.00 0.00 66.70 67.68 2kbx h VAL 83 Cb 1.75 0.52 -0.10 0.00 -1.52 0.00 0.00 31.29 31.93 2kbx h VAL 83 CO -0.06 0.06 0.62 0.06 0.02 0.00 0.00 177.57 178.27 2kbx h GLN 84 N -0.99 0.81 -0.04 1.57 -0.00 -0.60 1.64 115.11 117.50 2kbx h GLN 84 Ca -0.07 -0.05 -0.19 0.00 -0.00 0.00 0.00 58.65 58.34 2kbx h GLN 84 Cb 0.59 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.48 27.88 2kbx h GLN 84 CO 0.11 0.53 -0.80 1.57 -0.00 0.00 0.00 178.83 180.24 2kbx h LYS 85 N 0.83 0.34 0.00 0.06 2.10 -1.54 -0.14 116.57 118.21 2kbx h LYS 85 Ca 0.56 -0.31 -0.08 0.00 -2.00 0.00 0.00 60.65 58.82 2kbx h LYS 85 Cb 0.78 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 2kbx h LYS 85 CO -0.35 0.97 -1.08 1.25 -2.00 0.00 0.00 179.45 178.25 2kbx h LEU 86 N 0.21 0.00 0.00 7.07 7.12 -0.90 -3.31 115.31 125.50 2kbx h LEU 86 Ca -0.04 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.96 2kbx h LEU 86 Cb 1.39 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.52 2kbx h LEU 86 CO 0.13 0.29 -0.78 0.25 -0.13 0.00 0.00 178.44 178.21 2kbx h LEU 87 N 0.00 0.00 -1.18 2.25 6.46 0.24 -3.30 115.31 119.78 2kbx h LEU 87 Ca -0.07 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2kbx h LEU 87 Cb 1.29 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 2kbx h LEU 87 CO 0.03 0.05 0.00 1.67 -0.62 0.00 0.00 178.44 179.56 2kbx n GLN 88 N -2.80 1.77 0.00 1.25 7.27 -0.07 -2.14 117.38 122.66 2kbx n GLN 88 Ca 0.00 -1.16 -0.15 0.00 0.07 0.00 0.00 57.00 55.76 2kbx n GLN 88 Cb 0.57 -1.38 -0.14 0.00 2.41 0.00 0.00 30.24 31.70 2kbx n GLN 88 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 2kbx h TYR 89 N 2.25 0.25 0.00 3.69 -1.99 -1.67 -3.43 116.97 116.07 2kbx h TYR 89 Ca 0.00 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.54 2kbx h TYR 89 Cb 0.50 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.22 2kbx h TYR 89 CO 0.14 1.37 0.00 0.36 -0.00 0.00 0.00 178.16 180.02 2kbx n LYS 90 N -3.28 0.00 -3.75 4.88 2.85 -1.26 -5.03 118.16 112.58 2kbx n LYS 90 Ca -0.23 -0.09 -0.23 0.00 -1.05 0.00 0.00 58.31 56.71 2kbx n LYS 90 Cb 1.05 -0.17 0.02 0.00 -0.65 0.00 0.00 35.03 35.28 2kbx n LYS 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kbx n ALA 91 N 0.00 -2.09 0.62 0.58 0.00 -0.91 -4.75 120.51 113.96 2kbx n ALA 91 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2kbx n ALA 91 Cb 0.39 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 -3.00 1.67 0.07 0.00 2.03 -1.26 -3.19 116.55 112.87 2kbx n ASP 92 Ca -0.27 -1.25 -0.14 0.00 0.52 0.00 0.00 54.79 53.65 2kbx n ASP 92 Cb 0.67 -0.31 -0.06 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.32 1.41 -0.29 5.18 -0.00 -1.91 -2.90 117.51 119.31 2kbx h ILE 93 Ca 0.00 -2.55 -0.15 0.00 -0.00 0.00 0.00 64.86 62.16 2kbx h ILE 93 Cb 0.57 2.51 -0.09 0.00 -0.00 0.00 0.00 36.82 39.82 2kbx h ILE 93 CO 0.00 0.76 0.20 -0.46 -0.00 0.00 0.00 178.15 178.64 2kbx n ASN 94 N -3.71 3.36 -3.43 2.19 0.23 -1.19 -4.52 115.26 108.18 2kbx n ASN 94 Ca -0.07 -2.49 -0.22 0.00 -0.53 0.00 0.00 54.58 51.28 2kbx n ASN 94 Cb 0.87 -0.62 -0.11 0.00 -2.08 0.00 0.00 39.78 37.84 2kbx n ASN 94 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kbx s ALA 95 N -0.97 0.02 1.10 -2.53 0.00 -1.10 -5.14 121.76 113.14 2kbx s ALA 95 Ca 0.17 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 51.03 2kbx s ALA 95 Cb 0.14 -1.76 0.20 0.00 0.00 0.00 0.00 23.12 21.70 2kbx s ALA 95 CO 0.03 -1.90 0.91 1.33 0.00 0.00 0.00 175.76 176.13 2kbx n VAL 96 N 4.74 0.00 -0.10 0.00 0.24 -1.26 -4.97 118.33 116.99 2kbx n VAL 96 Ca 0.04 -0.54 -0.19 0.00 -2.04 0.00 0.00 64.34 61.61 2kbx n VAL 96 Cb 0.43 -1.39 -0.10 0.00 -1.47 0.00 0.00 33.84 31.32 2kbx n VAL 96 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2kbx h ASN 97 N -1.85 0.00 0.00 -1.34 -0.26 -1.93 -3.49 115.58 106.71 2kbx h ASN 97 Ca -0.32 -0.45 0.00 0.00 -0.56 0.00 0.00 56.30 54.98 2kbx h ASN 97 Cb 0.92 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.18 2kbx h ASN 97 CO 0.21 1.35 0.00 -1.84 -1.06 0.00 0.00 177.43 176.10 2kbx n GLU 98 N -4.47 0.00 -0.15 0.81 0.28 -1.26 -4.94 120.64 110.91 2kbx n GLU 98 Ca -0.27 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 56.85 2kbx n GLU 98 Cb 0.60 0.00 0.22 0.00 1.43 0.00 0.00 31.44 33.69 2kbx n GLU 98 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kbx n HIS 99 N 0.00 0.40 -0.63 -1.84 -0.00 -1.26 -4.91 115.22 106.97 2kbx n HIS 99 Ca 0.00 -0.20 0.00 0.00 0.46 0.00 0.00 57.72 57.98 2kbx n HIS 99 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 1.46 0.66 3.55 1.57 0.00 -1.26 -4.67 105.19 106.50 2kbx n GLY 100 Ca 0.18 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.21 5.15 0.17 1.61 4.22 -1.26 -4.84 114.94 117.77 2kbx s ASN 101 Ca 0.00 0.25 -0.14 0.00 -2.14 0.00 0.00 52.86 50.83 2kbx s ASN 101 Cb 0.00 -2.53 -0.07 0.00 1.28 0.00 0.00 41.25 39.93 2kbx s ASN 101 CO 0.00 -2.51 0.56 -0.69 -2.04 0.00 0.00 177.10 172.42 2kbx s VAL 102 N 9.63 4.86 0.38 3.54 1.01 -1.26 -4.30 120.40 134.25 2kbx s VAL 102 Ca 0.71 0.78 0.16 0.00 0.00 0.00 0.00 61.98 63.63 2kbx s VAL 102 Cb -0.12 -3.71 0.37 0.00 0.00 0.00 0.00 36.38 32.92 2kbx s VAL 102 CO 0.18 0.17 1.75 -0.65 0.00 0.00 0.00 175.10 176.55 2kbx h PRO 103 N 3.33 0.43 -0.32 2.72 0.11 -1.93 -0.12 132.00 136.21 2kbx h PRO 103 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2kbx h PRO 103 Cb 1.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2kbx h PRO 103 CO 0.66 0.28 0.16 1.25 -0.21 0.00 0.00 178.00 180.15 2kbx h LEU 104 N 0.44 0.42 -0.80 2.35 5.85 -1.95 1.09 115.31 122.70 2kbx h LEU 104 Ca 0.62 -0.12 0.18 0.00 0.84 0.00 0.00 57.88 59.40 2kbx h LEU 104 Cb 1.46 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 42.27 2kbx h LEU 104 CO -0.35 0.42 0.28 0.45 -0.34 0.00 0.00 178.44 178.90 2kbx h HIS 105 N 0.39 0.46 0.23 1.25 3.86 -1.39 0.19 115.15 120.13 2kbx h HIS 105 Ca 0.11 0.04 -0.31 0.00 -1.16 0.00 0.00 60.37 59.05 2kbx h HIS 105 Cb 0.10 -0.08 0.04 0.00 1.06 0.00 0.00 27.41 28.53 2kbx h HIS 105 CO -0.02 -0.04 -1.35 -0.92 0.86 0.00 0.00 177.93 176.46 2kbx h TYR 106 N 0.36 0.92 -0.66 2.45 5.03 -1.29 -2.36 116.97 121.42 2kbx h TYR 106 Ca 0.47 -0.66 0.10 0.00 2.58 0.00 0.00 58.73 61.21 2kbx h TYR 106 Cb 0.81 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 39.01 2kbx h TYR 106 CO -0.20 1.52 0.44 0.00 -1.32 0.00 0.00 178.16 178.60 2kbx h ALA 107 N 0.14 1.93 0.00 1.82 0.00 0.25 -0.45 119.26 122.96 2kbx h ALA 107 Ca -0.23 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 2kbx h ALA 107 Cb 2.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 2kbx h ALA 107 CO 0.25 -0.08 -1.12 0.00 0.00 0.00 0.00 179.25 178.31 2kbx h PHE 109 N 0.00 0.20 0.12 0.00 3.57 -0.51 -1.92 116.94 118.40 2kbx h PHE 109 Ca -0.10 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 2kbx h PHE 109 Cb 1.67 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.35 2kbx h PHE 109 CO 0.00 0.09 -0.06 -1.49 -2.23 0.00 0.00 178.31 174.62 2kbx h TRP 110 N 0.18 -0.15 0.00 0.41 4.06 -1.51 -3.49 115.95 115.45 2kbx h TRP 110 Ca 0.28 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.23 2kbx h TRP 110 Cb 0.86 0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 2kbx h TRP 110 CO -0.00 0.14 0.00 0.41 -3.56 0.00 0.00 178.44 175.43 2kbx n GLY 111 N 1.18 1.00 2.78 1.49 0.00 -0.72 -5.12 105.19 105.79 2kbx n GLY 111 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 2kbx n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kbx s GLN 112 N 0.00 0.84 0.33 1.61 -0.21 -1.25 -4.99 119.66 115.99 2kbx s GLN 112 Ca 0.00 -1.18 0.01 0.00 0.02 0.00 0.00 55.36 54.21 2kbx s GLN 112 Cb 0.00 -2.18 0.56 0.00 1.00 0.00 0.00 33.01 32.39 2kbx s GLN 112 CO 0.00 -0.97 1.97 0.22 -2.12 0.00 0.00 175.29 174.40 2kbx h ASP 113 N 8.02 0.78 -0.10 5.90 3.58 -1.98 -3.07 116.42 129.54 2kbx h ASP 113 Ca -0.12 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.31 2kbx h ASP 113 Cb 1.02 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 41.82 2kbx h ASP 113 CO 0.48 0.60 -0.48 1.56 -2.88 0.00 0.00 179.24 178.51 2kbx h GLN 114 N 0.90 -0.51 -0.79 0.28 7.50 -1.99 0.14 115.11 120.64 2kbx h GLN 114 Ca 0.24 0.03 0.08 0.00 0.50 0.00 0.00 58.65 59.50 2kbx h GLN 114 Cb -0.04 0.12 -0.05 0.00 0.05 0.00 0.00 27.48 27.55 2kbx h GLN 114 CO -0.05 -0.34 0.52 -0.39 -1.50 0.00 0.00 178.83 177.07 2kbx h VAL 115 N -0.53 1.00 -0.25 -0.54 -1.51 -1.94 -0.59 116.25 111.90 2kbx h VAL 115 Ca 0.03 -0.28 -0.06 0.00 -1.23 0.00 0.00 66.70 65.16 2kbx h VAL 115 Cb 0.61 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 29.88 2kbx h VAL 115 CO -0.38 0.15 -0.10 0.00 -1.23 0.00 0.00 177.57 176.01 2kbx h ALA 116 N 1.58 1.36 0.43 5.19 0.00 -1.10 -2.66 119.26 124.06 2kbx h ALA 116 Ca 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2kbx h ALA 116 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kbx h ALA 116 CO -0.13 0.44 -0.21 1.49 0.00 0.00 0.00 179.25 180.84 2kbx h GLU 117 N 0.39 -0.56 -0.92 0.00 4.81 0.84 -1.79 114.58 117.35 2kbx h GLU 117 Ca 0.08 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.51 2kbx h GLU 117 Cb 0.42 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.85 2kbx h GLU 117 CO 0.02 -0.30 0.59 0.22 -0.73 0.00 0.00 179.01 178.82 2kbx h ASP 118 N -0.72 0.62 0.40 1.04 3.58 -1.31 0.58 116.42 120.60 2kbx h ASP 118 Ca -0.06 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2kbx h ASP 118 Cb 0.52 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2kbx h ASP 118 CO 0.10 0.27 -0.19 -0.07 -2.88 0.00 0.00 179.24 176.47 2kbx h LEU 119 N 0.63 -0.45 0.00 2.28 3.38 -1.21 -2.98 115.31 116.96 2kbx h LEU 119 Ca 0.48 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2kbx h LEU 119 Cb 0.89 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kbx h LEU 119 CO -0.23 -0.02 0.00 0.55 0.09 0.00 0.00 178.44 178.83 2kbx n VAL 120 N -5.15 0.93 0.68 1.22 3.14 -0.70 -2.25 118.33 116.20 2kbx n VAL 120 Ca -0.09 0.23 0.09 0.00 -2.96 0.00 0.00 64.34 61.62 2kbx n VAL 120 Cb 0.27 -1.00 0.41 0.00 -1.06 0.00 0.00 33.84 32.46 2kbx n VAL 120 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kbx n ALA 121 N -1.44 1.87 -0.12 1.55 0.00 0.20 -3.09 120.51 119.49 2kbx n ALA 121 Ca 0.04 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 2kbx n ALA 121 Cb 0.15 -1.30 -0.12 0.00 0.00 0.00 0.00 19.45 18.18 2kbx n ALA 121 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kbx n ASN 122 N -1.47 1.98 0.00 0.00 2.85 -0.95 -4.98 115.26 112.69 2kbx n ASN 122 Ca 0.05 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 2kbx n ASN 122 Cb 0.21 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.60 2kbx n ASN 122 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kbx n GLY 123 N 1.87 -0.43 0.41 8.20 0.00 -1.18 -4.99 105.19 109.07 2kbx n GLY 123 Ca -0.46 0.00 0.21 0.00 0.00 0.00 0.00 46.02 45.77 2kbx n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx h ALA 124 N 0.00 2.20 -2.86 4.61 0.00 -1.76 -3.47 119.26 117.99 2kbx h ALA 124 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kbx h ALA 124 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kbx h ALA 124 CO 0.00 -0.86 -0.65 -0.11 0.00 0.00 0.00 179.25 177.64 2kbx n LEU 125 N -3.48 -4.97 0.10 0.00 -0.00 -1.26 -4.57 117.00 102.81 2kbx n LEU 125 Ca 0.09 2.21 0.13 0.00 -0.00 0.00 0.00 56.01 58.44 2kbx n LEU 125 Cb 0.79 -1.91 0.42 0.00 -0.00 0.00 0.00 43.42 42.73 2kbx n LEU 125 CO 0.24 -0.56 0.89 0.55 -0.00 0.00 0.00 177.39 178.52 2kbx n VAL 126 N 0.37 0.56 -1.20 1.96 3.14 -1.26 -3.41 118.33 118.48 2kbx n VAL 126 Ca 0.00 -0.25 -0.28 0.00 -2.96 0.00 0.00 64.34 60.85 2kbx n VAL 126 Cb 0.00 -0.60 0.12 0.00 -1.06 0.00 0.00 33.84 32.30 2kbx n VAL 126 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2kbx n SER 127 N -2.20 5.82 0.00 6.55 3.41 -1.26 -4.65 113.62 121.29 2kbx n SER 127 Ca 0.06 -3.63 -0.10 0.00 -0.26 0.00 0.00 58.87 54.94 2kbx n SER 127 Cb 0.42 -0.91 -0.04 0.00 -0.26 0.00 0.00 64.21 63.42 2kbx n SER 127 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2kbx h ILE 128 N 0.98 0.34 -1.11 -1.33 1.08 -1.80 -3.48 117.51 112.19 2kbx h ILE 128 Ca 0.59 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.06 2kbx h ILE 128 Cb 1.71 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2kbx h ILE 128 CO 1.30 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.76 2kbx n ASN 130 N -0.07 -3.08 0.31 0.00 4.05 -1.26 -4.41 115.26 110.79 2kbx n ASN 130 Ca 0.00 -0.42 0.18 0.00 0.45 0.00 0.00 54.58 54.79 2kbx n ASN 130 Cb 0.00 -0.79 0.94 0.00 1.23 0.00 0.00 39.78 41.16 2kbx n ASN 130 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 2kbx h LYS 131 N -2.76 0.00 0.00 1.20 -0.00 -1.88 0.79 116.57 113.92 2kbx h LYS 131 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.39 2kbx h LYS 131 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.05 2kbx h LYS 131 CO 0.16 0.00 -0.16 0.98 -0.00 0.00 0.00 179.45 180.43 2kbx n TYR 132 N -2.84 0.00 -1.02 0.07 9.36 -1.26 -4.94 117.16 116.53 2kbx n TYR 132 Ca -0.02 -0.61 -0.01 0.00 3.32 0.00 0.00 57.90 60.58 2kbx n TYR 132 Cb 0.20 -0.11 -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 -0.86 0.41 3.57 2.98 0.00 0.27 -4.90 105.19 106.66 2kbx n GLY 133 Ca 0.09 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2kbx n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kbx s GLU 134 N -0.71 2.19 0.17 1.61 0.41 -1.26 -4.40 118.70 116.72 2kbx s GLU 134 Ca 0.00 -0.51 0.07 0.00 -0.41 0.00 0.00 54.97 54.12 2kbx s GLU 134 Cb 0.00 -5.08 -0.04 0.00 -1.78 0.00 0.00 34.13 27.23 2kbx s GLU 134 CO 0.00 -4.06 0.04 -1.64 -0.49 0.00 0.00 175.26 169.11 2kbx s MET 135 N 7.30 2.53 0.44 1.61 -1.94 -1.26 -4.13 119.30 123.85 2kbx s MET 135 Ca 0.74 -1.05 0.20 0.00 -1.71 0.00 0.00 55.69 53.87 2kbx s MET 135 Cb -0.05 -2.43 1.16 0.00 2.01 0.00 0.00 34.83 35.52 2kbx s MET 135 CO 0.08 0.46 1.85 -1.35 -0.01 0.00 0.00 175.02 176.06 2kbx h PRO 136 N 2.60 0.32 -0.95 2.03 0.11 -1.91 -0.75 132.00 133.45 2kbx h PRO 136 Ca -0.47 -0.02 0.27 0.00 0.11 0.00 0.00 66.00 65.89 2kbx h PRO 136 Cb 1.20 -0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.10 2kbx h PRO 136 CO 0.59 0.21 0.45 0.28 -0.21 0.00 0.00 178.00 179.33 2kbx h VAL 137 N 0.33 0.36 0.00 3.15 2.07 -1.94 1.80 116.25 122.01 2kbx h VAL 137 Ca 0.47 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.80 2kbx h VAL 137 Cb 1.30 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2kbx h VAL 137 CO -0.16 0.06 -0.47 -0.78 0.02 0.00 0.00 177.57 176.24 2kbx h ASP 138 N 0.34 0.00 0.00 0.57 3.58 -1.49 0.11 116.42 119.52 2kbx h ASP 138 Ca 0.65 -0.56 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2kbx h ASP 138 Cb 1.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.42 2kbx h ASP 138 CO -0.59 1.05 0.06 0.11 -2.88 0.00 0.00 179.24 176.99 2kbx h LYS 139 N -1.00 0.00 0.03 0.28 1.57 -1.13 -0.37 116.57 115.94 2kbx h LYS 139 Ca -0.11 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.30 2kbx h LYS 139 Cb 0.88 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.13 2kbx h LYS 139 CO -0.07 0.00 -2.28 0.00 -0.57 0.00 0.00 179.45 176.53 2kbx n ALA 140 N -1.88 1.35 0.25 3.86 0.00 0.61 -3.88 120.51 120.81 2kbx n ALA 140 Ca -0.02 -1.02 0.03 0.00 0.00 0.00 0.00 53.44 52.43 2kbx n ALA 140 Cb 0.11 -0.32 0.15 0.00 0.00 0.00 0.00 19.45 19.39 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 -3.16 0.02 0.02 0.00 4.81 0.37 -3.02 118.16 117.20 2kbx n LYS 141 Ca -0.37 0.35 -0.02 0.00 -0.87 0.00 0.00 58.31 57.40 2kbx n LYS 141 Cb 1.05 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.59 2kbx n LYS 141 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kbx h ALA 142 N 2.25 -0.18 -0.87 3.14 0.00 -1.41 -3.36 119.26 118.83 2kbx h ALA 142 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.03 2kbx h ALA 142 Cb 0.10 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.79 2kbx h ALA 142 CO 0.00 -0.17 -0.34 -1.35 0.00 0.00 0.00 179.25 177.39 2kbx h PRO 143 N -0.68 -0.04 0.00 0.00 0.10 -1.72 -3.44 132.00 126.21 2kbx h PRO 143 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.09 2kbx h PRO 143 Cb 0.10 0.01 0.00 0.00 0.10 0.00 0.00 31.00 31.21 2kbx h PRO 143 CO 0.02 -0.03 0.00 1.47 0.10 0.00 0.00 178.00 179.56 2kbx n LEU 144 N -5.49 0.00 0.00 2.35 -0.00 -1.23 -5.10 117.00 107.54 2kbx n LEU 144 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 2kbx n LEU 144 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 2kbx n LEU 144 CO -0.08 0.00 0.37 -2.11 -0.00 0.00 0.00 177.39 175.56 2kbx n ARG 145 N 0.00 0.00 0.00 1.47 -4.01 -1.22 -4.64 116.66 108.26 2kbx n ARG 145 Ca 0.00 0.24 0.00 0.00 -1.04 0.00 0.00 57.85 57.05 2kbx n ARG 145 Cb 0.00 -1.24 0.00 0.00 -3.04 0.00 0.00 32.46 28.18 2kbx n ARG 145 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 2kbx n GLU 146 N -1.21 0.00 -0.05 2.89 0.28 -1.26 -4.25 120.64 117.04 2kbx n GLU 146 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.86 2kbx n GLU 146 Cb 0.00 -1.40 -0.12 0.00 1.43 0.00 0.00 31.44 31.35 2kbx n GLU 146 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2kbx h LEU 147 N 0.00 0.05 -1.75 -1.84 3.38 -2.00 -2.86 115.31 110.29 2kbx h LEU 147 Ca 0.00 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.11 2kbx h LEU 147 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2kbx h LEU 147 CO 0.00 0.90 0.00 0.17 0.09 0.00 0.00 178.44 179.60 2kbx h LEU 148 N -0.80 0.00 0.04 1.67 8.10 -1.96 -1.23 115.31 121.12 2kbx h LEU 148 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 2kbx h LEU 148 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.14 2kbx h LEU 148 CO 0.01 0.00 -0.02 -0.09 -4.11 0.00 0.00 178.44 174.23 2kbx h ARG 149 N 0.00 -0.05 -0.08 0.17 2.43 -1.83 -2.30 114.38 112.72 2kbx h ARG 149 Ca 0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 2kbx h ARG 149 Cb 0.33 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2kbx h ARG 149 CO 0.00 0.26 -0.64 1.05 -1.51 0.00 0.00 179.97 179.13 2kbx h GLU 150 N -0.36 0.29 -0.33 0.20 4.11 -1.23 -0.81 114.58 116.45 2kbx h GLU 150 Ca -0.01 -0.21 0.05 0.00 0.07 0.00 0.00 59.36 59.26 2kbx h GLU 150 Cb 0.33 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2kbx h GLU 150 CO 0.01 0.83 0.22 -0.09 0.07 0.00 0.00 179.01 180.06 2kbx h ARG 151 N 0.21 0.22 0.06 1.06 2.43 -1.12 0.77 114.38 118.01 2kbx h ARG 151 Ca -0.01 -0.01 -0.32 0.00 -0.81 0.00 0.00 59.98 58.82 2kbx h ARG 151 Cb 1.16 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 2kbx h ARG 151 CO 0.10 0.14 -1.84 0.00 -1.51 0.00 0.00 179.97 176.87 2kbx n ALA 152 N -2.54 1.22 0.78 2.80 0.00 -0.88 -3.78 120.51 118.11 2kbx n ALA 152 Ca 0.04 -0.68 0.12 0.00 0.00 0.00 0.00 53.44 52.91 2kbx n ALA 152 Cb 0.24 -0.78 0.50 0.00 0.00 0.00 0.00 19.45 19.41 2kbx n ALA 152 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kbx n GLU 153 N -3.24 0.04 0.00 0.00 4.07 -0.33 -2.49 120.64 118.68 2kbx n GLU 153 Ca -0.24 0.12 0.12 0.00 -0.06 0.00 0.00 57.16 57.10 2kbx n GLU 153 Cb 1.05 -1.55 0.14 0.00 -0.06 0.00 0.00 31.44 31.02 2kbx n GLU 153 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2kbx n LYS 154 N -1.62 0.66 0.22 5.31 3.00 0.26 0.10 118.16 126.10 2kbx n LYS 154 Ca 0.06 -0.48 0.11 0.00 -0.00 0.00 0.00 58.31 57.99 2kbx n LYS 154 Cb 0.29 -1.49 0.38 0.00 0.00 0.00 0.00 35.03 34.21 2kbx n LYS 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kbx h MET 155 N 1.18 0.00 0.00 1.64 -0.00 -1.58 -3.44 114.93 112.72 2kbx h MET 155 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kbx h MET 155 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.19 2kbx h MET 155 CO 0.00 0.17 0.00 0.41 -0.00 0.00 0.00 176.91 177.49 2kbx n GLY 156 N 0.49 -1.15 1.77 -3.00 0.00 -1.25 -5.08 105.19 96.97 2kbx n GLY 156 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.13 1.61 -0.06 -1.17 -4.97 117.38 112.92 2kbx n GLN 157 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.87 2kbx n GLN 157 Cb 0.00 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.10 2kbx n GLN 157 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 2kbx h ASN 158 N 0.00 -1.22 -1.31 1.69 -1.24 -0.68 -2.93 115.58 109.89 2kbx h ASN 158 Ca 0.00 0.12 -0.73 0.00 0.71 0.00 0.00 56.30 56.40 2kbx h ASN 158 Cb 0.00 0.44 -0.13 0.00 0.73 0.00 0.00 38.32 39.36 2kbx h ASN 158 CO 0.00 -0.47 2.04 0.00 -1.29 0.00 0.00 177.43 177.71 2kbx n LEU 159 N -4.85 6.08 -4.43 0.34 -0.00 -1.26 -4.93 117.00 107.94 2kbx n LEU 159 Ca -0.08 -4.42 -0.42 0.00 -0.00 0.00 0.00 56.01 51.09 2kbx n LEU 159 Cb 0.34 -1.58 -0.10 0.00 -0.00 0.00 0.00 43.42 42.07 2kbx n LEU 159 CO 0.15 1.00 -0.10 0.54 -0.00 0.00 0.00 177.39 178.98 2kbx s ASN 160 N 2.21 5.98 0.86 1.45 4.22 -1.11 -4.99 114.94 123.56 2kbx s ASN 160 Ca 0.43 -0.91 -0.13 0.00 -2.14 0.00 0.00 52.86 50.11 2kbx s ASN 160 Cb 0.06 -2.11 0.04 0.00 1.28 0.00 0.00 41.25 40.52 2kbx s ASN 160 CO -0.00 -0.42 0.68 0.54 -2.04 0.00 0.00 177.10 175.86 2kbx n ARG 161 N 5.10 -0.06 -1.60 3.55 5.12 -1.26 -4.75 116.66 122.76 2kbx n ARG 161 Ca -0.11 0.04 -0.44 0.00 -1.93 0.00 0.00 57.85 55.41 2kbx n ARG 161 Cb 0.47 -2.03 -0.03 0.00 -1.16 0.00 0.00 32.46 29.70 2kbx n ARG 161 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 2kbx n ILE 162 N -3.31 0.41 -1.98 0.55 3.06 -1.26 -4.92 119.36 111.92 2kbx n ILE 162 Ca 0.10 -0.38 -0.37 0.00 -2.50 0.00 0.00 62.75 59.59 2kbx n ILE 162 Cb 0.52 -2.43 0.03 0.00 0.54 0.00 0.00 39.64 38.30 2kbx n ILE 162 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 2kbx s PRO 163 N 5.97 3.20 -0.10 9.51 0.02 -1.26 -5.02 135.00 147.31 2kbx s PRO 163 Ca 0.99 1.97 0.04 0.00 0.02 0.00 0.00 61.00 64.02 2kbx s PRO 163 Cb -0.41 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 31.96 2kbx s PRO 163 CO 0.38 -1.07 -0.22 -0.47 -0.33 0.00 0.00 177.00 175.29 2kbx s TYR 164 N -1.47 2.41 -0.24 6.54 6.14 -1.26 -4.99 117.35 124.48 2kbx s TYR 164 Ca 0.72 -0.99 0.09 0.00 0.64 0.00 0.00 57.07 57.54 2kbx s TYR 164 Cb -0.34 -1.62 0.29 0.00 0.42 0.00 0.00 41.96 40.71 2kbx s TYR 164 CO 0.39 -0.41 1.32 0.36 0.64 0.00 0.00 175.55 177.85 2kbx n LYS 165 N 3.58 0.97 0.00 4.97 2.85 -1.26 -5.10 118.16 124.17 2kbx n LYS 165 Ca -0.20 -1.03 0.00 0.00 -1.05 0.00 0.00 58.31 56.04 2kbx n LYS 165 Cb 0.53 0.40 0.00 0.00 -0.65 0.00 0.00 35.03 35.31 2kbx n LYS 165 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2kbx n ASP 166 N -1.11 0.00 -2.66 -5.58 5.68 -1.26 -5.09 116.55 106.54 2kbx n ASP 166 Ca -0.17 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.09 2kbx n ASP 166 Cb 0.80 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.89 2kbx n ASP 166 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2kbx n THR 167 N 0.00 0.00 0.00 2.12 5.66 -1.26 -5.09 114.28 115.71 2kbx n THR 167 Ca 0.00 -0.65 0.00 0.00 -3.05 0.00 0.00 64.05 60.35 2kbx n THR 167 Cb 0.00 1.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 2kbx n THR 167 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 2kbx n PHE 168 N 0.47 0.00 0.00 1.09 -1.74 -1.26 -4.32 117.46 111.70 2kbx n PHE 168 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.83 2kbx n PHE 168 Cb 0.76 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.76 2kbx n PHE 168 CO 0.00 0.00 0.00 0.91 -0.56 0.00 0.00 176.76 177.11 2kbx n TRP 169 N 0.00 0.00 0.00 2.97 7.02 -1.26 -3.68 117.44 122.49 2kbx n TRP 169 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2kbx n TRP 169 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2kbx n TRP 169 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2kbx n LYS 170 N 0.00 0.00 -0.55 -0.99 5.02 -1.26 -5.35 118.16 115.04 2kbx n LYS 170 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2kbx n LYS 170 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29