#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shz s LEU 18 N 0.00 3.48 -0.08 0.99 1.43 -1.26 -5.14 118.68 118.10 1shz s LEU 18 Ca 0.00 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.46 1shz s LEU 18 Cb 0.00 -2.46 0.04 0.00 0.03 0.00 0.00 46.19 43.80 1shz s LEU 18 CO 0.00 -0.96 0.44 -0.69 0.23 0.00 0.00 176.35 175.37 1shz s VAL 19 N -2.49 0.02 0.05 -1.59 1.01 -1.26 -5.16 120.40 110.98 1shz s VAL 19 Ca 0.57 -0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.13 1shz s VAL 19 Cb -0.09 -0.70 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 1shz s VAL 19 CO 0.35 -0.11 0.67 -2.16 0.00 0.00 0.00 175.10 173.85 1shz s PRO 20 N -0.69 4.38 0.10 2.72 0.04 -1.26 -5.02 135.00 135.27 1shz s PRO 20 Ca -0.08 0.89 -0.33 0.00 0.04 0.00 0.00 61.00 61.52 1shz s PRO 20 Cb -0.03 -3.32 -0.13 0.00 0.04 0.00 0.00 34.50 31.06 1shz s PRO 20 CO 0.04 0.42 1.69 0.28 0.04 0.00 0.00 177.00 179.47 1shz n VAL 21 N 2.42 0.19 0.51 -0.36 0.31 -1.26 -4.92 118.33 115.22 1shz n VAL 21 Ca -0.06 -0.03 -0.20 0.00 -0.01 0.00 0.00 64.34 64.04 1shz n VAL 21 Cb 0.50 -1.72 -0.09 0.00 -0.91 0.00 0.00 33.84 31.62 1shz n VAL 21 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1shz h SER 22 N 7.12 -1.09 -3.21 4.52 0.87 -2.08 -3.42 113.55 116.26 1shz h SER 22 Ca -0.46 0.04 -0.54 0.00 -1.23 0.00 0.00 61.79 59.59 1shz h SER 22 Cb 1.25 0.28 -0.36 0.00 -0.44 0.00 0.00 62.40 63.13 1shz h SER 22 CO 0.91 -0.77 -0.81 -0.63 -0.53 0.00 0.00 176.83 175.00 1shz s ILE 23 N -5.78 1.19 0.29 2.23 1.01 -1.26 -5.12 121.20 113.76 1shz s ILE 23 Ca -0.19 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 1shz s ILE 23 Cb 0.02 -1.16 -0.10 0.00 0.01 0.00 0.00 42.46 41.24 1shz s ILE 23 CO 0.56 0.39 1.10 -0.63 0.00 0.00 0.00 174.94 176.36 1shz s ILE 24 N 1.44 3.48 0.31 2.92 1.01 -1.26 -5.05 121.20 124.06 1shz s ILE 24 Ca 0.01 1.46 0.05 0.00 0.00 0.00 0.00 60.65 62.17 1shz s ILE 24 Cb -0.13 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 1shz s ILE 24 CO -0.06 0.32 0.02 -0.83 0.00 0.00 0.00 174.94 174.39 1shz s GLY 25 N -0.93 1.99 0.78 6.18 0.00 -1.26 -5.11 107.32 108.97 1shz s GLY 25 Ca 0.46 -2.01 -0.13 0.00 0.00 0.00 0.00 44.72 43.03 1shz s GLY 25 CO 0.40 -1.83 1.19 0.00 0.00 0.00 0.00 173.10 172.86 1shz s ALA 26 N -3.19 1.94 0.00 3.20 0.00 -1.26 -2.74 121.76 119.71 1shz s ALA 26 Ca 0.34 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1shz s ALA 26 Cb 0.07 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1shz s ALA 26 CO 0.14 -2.14 0.00 0.39 0.00 0.00 0.00 175.76 174.15 1shz n GLU 27 N -3.16 -0.26 -0.02 0.00 1.02 -1.26 -4.84 120.64 112.11 1shz n GLU 27 Ca 0.13 0.07 0.09 0.00 -0.02 0.00 0.00 57.16 57.43 1shz n GLU 27 Cb 0.51 -3.25 0.49 0.00 -0.02 0.00 0.00 31.44 29.17 1shz n GLU 27 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1shz n ASP 28 N -0.13 0.44 -0.00 1.62 10.43 -1.11 -2.81 116.55 124.99 1shz n ASP 28 Ca 0.00 -1.51 0.03 0.00 2.57 0.00 0.00 54.79 55.88 1shz n ASP 28 Cb 0.07 -0.03 -0.04 0.00 1.84 0.00 0.00 41.12 42.96 1shz n ASP 28 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1shz n GLU 29 N -0.49 3.14 0.00 -1.24 4.07 -1.26 -4.34 120.64 120.53 1shz n GLU 29 Ca 0.14 -0.02 0.14 0.00 -0.06 0.00 0.00 57.16 57.36 1shz n GLU 29 Cb 0.13 -0.92 0.60 0.00 -0.06 0.00 0.00 31.44 31.20 1shz n GLU 29 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1shz n ASP 30 N -1.36 0.04 -2.80 4.31 8.00 -1.12 -3.66 116.55 119.96 1shz n ASP 30 Ca 0.00 0.47 -0.02 0.00 0.71 0.00 0.00 54.79 55.96 1shz n ASP 30 Cb 0.11 -0.48 0.05 0.00 -0.02 0.00 0.00 41.12 40.79 1shz n ASP 30 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1shz n PHE 31 N -1.52 1.04 0.27 1.24 3.01 -1.25 -4.84 117.46 115.40 1shz n PHE 31 Ca 0.07 -2.22 0.16 0.00 1.01 0.00 0.00 57.45 56.47 1shz n PHE 31 Cb 0.34 -0.15 0.83 0.00 -0.01 0.00 0.00 39.48 40.49 1shz n PHE 31 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1shz h GLU 32 N 2.59 0.00 -4.28 -1.08 4.57 -1.75 -3.30 114.58 111.33 1shz h GLU 32 Ca -0.15 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.35 1shz h GLU 32 Cb 1.26 0.00 -0.37 0.00 -0.16 0.00 0.00 28.75 29.48 1shz h GLU 32 CO 0.21 0.00 -0.57 -0.80 -1.18 0.00 0.00 179.01 176.67 1shz s ASN 33 N -4.66 5.03 0.00 1.04 0.01 -1.26 -5.13 114.94 109.96 1shz s ASN 33 Ca -0.02 -2.30 0.00 0.00 -0.71 0.00 0.00 52.86 49.82 1shz s ASN 33 Cb 0.09 -1.76 0.00 0.00 0.41 0.00 0.00 41.25 39.99 1shz s ASN 33 CO 0.34 -0.44 0.00 1.21 -1.51 0.00 0.00 177.10 176.70 1shz n GLU 34 N 4.17 0.00 -3.59 -0.60 4.07 -1.25 -5.16 120.64 118.28 1shz n GLU 34 Ca 0.02 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.75 1shz n GLU 34 Cb 0.40 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.69 1shz n GLU 34 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1shz s SER 44 N -1.00 6.25 0.03 4.31 1.04 -1.26 -5.23 113.70 117.84 1shz s SER 44 Ca 0.00 0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.68 1shz s SER 44 Cb 0.00 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.96 1shz s SER 44 CO 0.00 0.05 -0.06 0.00 0.98 0.00 0.00 173.24 174.22 1shz n GLN 45 N 4.12 0.09 -2.75 4.02 1.13 -1.26 -4.86 117.38 117.87 1shz n GLN 45 Ca -0.13 0.04 -0.43 0.00 -1.94 0.00 0.00 57.00 54.53 1shz n GLN 45 Cb 0.52 -0.65 0.00 0.00 0.11 0.00 0.00 30.24 30.22 1shz n GLN 45 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1shz n PHE 46 N -3.53 3.55 -0.09 1.08 3.01 -1.26 -4.67 117.46 115.56 1shz n PHE 46 Ca -0.04 -3.01 -0.23 0.00 1.01 0.00 0.00 57.45 55.17 1shz n PHE 46 Cb 0.21 -1.82 -0.12 0.00 -0.01 0.00 0.00 39.48 37.74 1shz n PHE 46 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1shz n GLN 47 N 3.58 0.63 -4.09 -1.08 1.13 -1.26 -4.86 117.38 111.43 1shz n GLN 47 Ca 0.34 0.35 -0.11 0.00 -1.94 0.00 0.00 57.00 55.64 1shz n GLN 47 Cb 0.37 -1.63 -0.11 0.00 0.11 0.00 0.00 30.24 28.99 1shz n GLN 47 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1shz s SER 48 N -7.02 0.81 0.45 1.08 1.04 -1.26 -5.02 113.70 103.78 1shz s SER 48 Ca -0.31 -0.76 0.11 0.00 0.48 0.00 0.00 55.95 55.47 1shz s SER 48 Cb 0.09 0.09 1.02 0.00 0.10 0.00 0.00 66.02 67.32 1shz s SER 48 CO 0.60 -0.36 2.09 0.25 0.98 0.00 0.00 173.24 176.80 1shz h LEU 49 N 3.82 0.29 -0.68 2.42 5.85 -1.96 -1.41 115.31 123.65 1shz h LEU 49 Ca -0.35 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.42 1shz h LEU 49 Cb 1.18 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 1shz h LEU 49 CO 0.52 0.21 0.38 -0.08 -0.34 0.00 0.00 178.44 179.13 1shz h GLU 50 N 0.34 0.69 -0.00 1.25 4.57 -1.99 -1.24 114.58 118.19 1shz h GLU 50 Ca 0.11 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1shz h GLU 50 Cb 0.01 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1shz h GLU 50 CO -0.02 0.46 -0.00 1.96 -1.18 0.00 0.00 179.01 180.22 1shz h GLN 51 N 0.71 0.01 0.00 1.92 1.08 -1.64 -3.35 115.11 113.83 1shz h GLN 51 Ca 0.30 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.46 1shz h GLN 51 Cb 0.17 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1shz h GLN 51 CO -0.17 0.50 -0.15 -0.24 -0.95 0.00 0.00 178.83 177.82 1shz h VAL 52 N -0.48 0.25 0.00 -0.54 3.04 -1.44 -3.31 116.25 113.79 1shz h VAL 52 Ca 0.00 -1.35 0.00 0.00 -1.01 0.00 0.00 66.70 64.34 1shz h VAL 52 Cb 0.49 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1shz h VAL 52 CO 0.00 0.14 0.00 2.29 -1.01 0.00 0.00 177.57 178.99 1shz n LYS 53 N -3.14 0.04 -0.03 4.17 2.85 -0.48 -1.70 118.16 119.88 1shz n LYS 53 Ca 0.03 0.29 0.05 0.00 -1.05 0.00 0.00 58.31 57.63 1shz n LYS 53 Cb 0.59 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.31 1shz n LYS 53 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1shz n ARG 54 N -1.44 0.66 -3.08 -1.58 1.74 -1.24 -4.84 116.66 106.88 1shz n ARG 54 Ca 0.03 -0.11 -0.43 0.00 -0.77 0.00 0.00 57.85 56.58 1shz n ARG 54 Cb 0.11 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 29.93 1shz n ARG 54 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1shz s ARG 55 N -3.19 3.30 0.19 5.56 1.81 -0.69 -4.96 118.95 120.98 1shz s ARG 55 Ca -0.08 -0.32 -0.12 0.00 -1.72 0.00 0.00 55.73 53.49 1shz s ARG 55 Cb 0.11 -3.95 0.11 0.00 -0.45 0.00 0.00 34.95 30.77 1shz s ARG 55 CO 0.88 -1.04 1.84 -1.00 -0.68 0.00 0.00 175.30 175.30 1shz h PRO 56 N 8.90 0.86 0.45 3.54 0.13 -1.83 -1.45 132.00 142.61 1shz h PRO 56 Ca -0.25 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1shz h PRO 56 Cb 1.09 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1shz h PRO 56 CO 0.91 0.60 -0.21 0.00 -0.23 0.00 0.00 178.00 179.06 1shz h ALA 57 N 1.22 -0.60 -0.92 -0.56 0.00 -1.93 -2.24 119.26 114.23 1shz h ALA 57 Ca 0.23 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1shz h ALA 57 Cb -0.06 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1shz h ALA 57 CO -0.05 -0.67 0.60 0.45 0.00 0.00 0.00 179.25 179.58 1shz h HIS 58 N -0.93 1.05 -0.40 0.00 3.86 -1.90 -0.92 115.15 115.90 1shz h HIS 58 Ca -0.06 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.10 1shz h HIS 58 Cb 0.57 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1shz h HIS 58 CO 0.01 0.52 -0.05 1.25 0.86 0.00 0.00 177.93 180.52 1shz h LEU 59 N 1.00 0.65 -0.59 2.43 5.85 -1.26 -2.31 115.31 121.07 1shz h LEU 59 Ca 0.41 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1shz h LEU 59 Cb 0.28 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1shz h LEU 59 CO -0.17 0.75 0.32 0.24 -0.34 0.00 0.00 178.44 179.24 1shz h MET 60 N 0.63 0.59 0.46 1.25 2.86 -0.53 -0.30 114.93 119.89 1shz h MET 60 Ca 0.12 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1shz h MET 60 Cb 0.46 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1shz h MET 60 CO 0.02 0.39 -0.24 0.00 1.06 0.00 0.00 176.91 178.15 1shz h ALA 61 N 1.31 -0.64 -0.66 6.32 0.00 -1.28 0.12 119.26 124.44 1shz h ALA 61 Ca 0.26 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.18 1shz h ALA 61 Cb 0.15 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1shz h ALA 61 CO -0.16 -0.86 0.07 1.25 0.00 0.00 0.00 179.25 179.54 1shz h LEU 62 N -0.64 -0.15 -0.12 0.00 5.85 -0.95 -0.15 115.31 119.14 1shz h LEU 62 Ca -0.06 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1shz h LEU 62 Cb 0.50 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1shz h LEU 62 CO 0.09 -0.08 0.02 -0.07 -0.34 0.00 0.00 178.44 178.06 1shz h LEU 63 N 0.18 0.20 -2.15 2.25 -0.00 -0.77 0.50 115.31 115.51 1shz h LEU 63 Ca 0.35 -0.27 0.06 0.00 -0.00 0.00 0.00 57.88 58.02 1shz h LEU 63 Cb 0.58 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 1shz h LEU 63 CO -0.51 0.42 0.18 -0.61 -0.00 0.00 0.00 178.44 177.91 1shz h GLN 64 N -0.03 0.00 0.02 1.13 -0.00 -0.06 0.36 115.11 116.52 1shz h GLN 64 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1shz h GLN 64 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.79 1shz h GLN 64 CO 0.00 0.00 -0.01 1.25 0.00 0.00 0.00 178.83 180.08 1shz h HIS 65 N 0.00 -0.02 0.00 3.99 2.76 -0.61 -3.14 115.15 118.13 1shz h HIS 65 Ca 0.10 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1shz h HIS 65 Cb 0.45 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1shz h HIS 65 CO 0.00 0.36 0.00 0.28 -1.30 0.00 0.00 177.93 177.27 1shz h VAL 66 N -1.00 0.00 -0.00 5.26 2.07 -0.47 -1.62 116.25 120.50 1shz h VAL 66 Ca -0.00 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1shz h VAL 66 Cb 0.39 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1shz h VAL 66 CO 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.35 1shz h ALA 67 N 2.00 0.03 -0.00 1.67 0.00 -0.36 -2.55 119.26 120.05 1shz h ALA 67 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1shz h ALA 67 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1shz h ALA 67 CO 0.00 0.08 -0.08 1.28 0.00 0.00 0.00 179.25 180.53 1shz n LEU 68 N -4.51 0.08 0.00 0.00 7.99 -0.91 -4.38 117.00 115.26 1shz n LEU 68 Ca -0.10 0.42 0.00 0.00 -0.01 0.00 0.00 56.01 56.32 1shz n LEU 68 Cb 0.50 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 1shz n LEU 68 CO 0.39 0.02 -0.44 0.00 -1.51 0.00 0.00 177.39 175.85 1shz n GLN 69 N -1.49 2.69 -1.27 3.23 1.13 -0.66 -5.10 117.38 115.91 1shz n GLN 69 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1shz n GLN 69 Cb 0.34 -0.94 0.00 0.00 0.11 0.00 0.00 30.24 29.75 1shz n GLN 69 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1shz n PHE 70 N -1.67 0.00 -3.09 1.08 3.01 -0.96 -5.06 117.46 110.76 1shz n PHE 70 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 1shz n PHE 70 Cb 0.31 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.72 1shz n PHE 70 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1shz s GLU 71 N -0.90 4.12 0.00 -1.08 0.41 -1.26 -4.62 118.70 115.38 1shz s GLU 71 Ca 0.00 0.59 0.04 0.00 -0.41 0.00 0.00 54.97 55.19 1shz s GLU 71 Cb 0.00 -3.65 0.25 0.00 -1.78 0.00 0.00 34.13 28.96 1shz s GLU 71 CO 0.00 -0.41 0.64 -0.35 -0.49 0.00 0.00 175.26 174.64 1shz n PRO 72 N 5.70 0.36 0.00 0.39 -0.04 -1.26 -4.17 135.00 135.98 1shz n PRO 72 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1shz n PRO 72 Cb 0.49 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1shz n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1shz n GLY 73 N -0.20 -2.20 0.32 0.55 0.00 -1.26 -2.61 105.19 99.78 1shz n GLY 73 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1shz n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1shz n PRO 74 N -0.35 -0.07 -0.02 1.61 -0.02 -1.26 -1.44 135.00 133.45 1shz n PRO 74 Ca 0.00 1.37 -0.13 0.00 -2.02 0.00 0.00 63.50 62.72 1shz n PRO 74 Cb 0.00 -2.17 -0.09 0.00 -0.02 0.00 0.00 33.50 31.22 1shz n PRO 74 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1shz h LEU 75 N 0.00 0.09 -2.20 2.45 5.85 -1.82 -2.62 115.31 117.06 1shz h LEU 75 Ca 0.55 -0.48 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1shz h LEU 75 Cb 1.14 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1shz h LEU 75 CO -0.86 0.55 0.17 -0.07 -0.34 0.00 0.00 178.44 177.89 1shz h LEU 76 N -0.38 0.00 0.45 2.25 3.38 -0.99 -2.58 115.31 117.44 1shz h LEU 76 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1shz h LEU 76 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1shz h LEU 76 CO 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.32 1shz h LEU 79 N 0.85 0.31 -0.90 0.00 3.38 -1.54 -2.26 115.31 115.14 1shz h LEU 79 Ca 0.54 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1shz h LEU 79 Cb 0.73 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1shz h LEU 79 CO -0.34 0.55 0.51 0.45 0.09 0.00 0.00 178.44 179.71 1shz h HIS 80 N 0.07 1.21 -0.46 1.13 3.86 -1.04 -2.46 115.15 117.46 1shz h HIS 80 Ca 0.05 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1shz h HIS 80 Cb 0.39 -0.39 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 1shz h HIS 80 CO 0.04 0.83 0.15 0.00 0.86 0.00 0.00 177.93 179.80 1shz h ALA 81 N 1.28 0.54 -0.13 2.45 0.00 -0.97 -0.89 119.26 121.54 1shz h ALA 81 Ca 0.32 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.31 1shz h ALA 81 Cb -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1shz h ALA 81 CO -0.05 -0.25 0.09 0.22 0.00 0.00 0.00 179.25 179.25 1shz h ASP 82 N 0.31 0.11 -0.28 0.00 -0.00 -0.94 -2.24 116.42 113.38 1shz h ASP 82 Ca 0.22 -0.00 0.08 0.00 -0.00 0.00 0.00 57.03 57.33 1shz h ASP 82 Cb 0.24 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 39.53 1shz h ASP 82 CO -0.24 0.08 0.33 0.24 -0.00 0.00 0.00 179.24 179.65 1shz h MET 83 N 0.12 0.00 0.00 0.28 2.86 -0.90 -3.34 114.93 113.96 1shz h MET 83 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1shz h MET 83 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1shz h MET 83 CO -0.01 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.24 1shz n LEU 84 N -3.66 0.00 0.00 1.22 4.32 -0.84 -5.14 117.00 112.90 1shz n LEU 84 Ca 0.04 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.87 1shz n LEU 84 Cb 0.47 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.25 1shz n LEU 84 CO 0.26 0.00 -0.07 0.61 -1.22 0.00 0.00 177.39 176.97 1shz n GLY 85 N 3.44 3.51 2.72 -0.72 0.00 -1.25 -5.17 105.19 107.72 1shz n GLY 85 Ca 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 46.02 43.70 1shz n GLY 85 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1shz n PRO 89 N -0.85 0.43 0.00 1.61 -0.02 -1.26 -4.68 135.00 130.23 1shz n PRO 89 Ca -0.07 -1.44 0.00 0.00 -2.02 0.00 0.00 63.50 59.96 1shz n PRO 89 Cb 0.33 -0.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 1shz n PRO 89 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1shz n LYS 90 N 2.31 0.00 -0.27 -0.52 4.81 -1.26 -4.25 118.16 118.97 1shz n LYS 90 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.51 1shz n LYS 90 Cb 0.62 -0.20 0.03 0.00 0.02 0.00 0.00 35.03 35.50 1shz n LYS 90 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1shz n GLU 91 N -0.09 1.23 -0.34 1.64 1.02 -1.26 -4.39 120.64 118.45 1shz n GLU 91 Ca 0.00 -0.54 0.15 0.00 -0.02 0.00 0.00 57.16 56.75 1shz n GLU 91 Cb 0.00 -1.21 0.37 0.00 -0.02 0.00 0.00 31.44 30.58 1shz n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1shz h ALA 92 N 1.74 1.80 0.00 0.62 0.00 -2.03 0.33 119.26 121.72 1shz h ALA 92 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1shz h ALA 92 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1shz h ALA 92 CO 0.21 -0.17 0.00 -0.22 0.00 0.00 0.00 179.25 179.07 1shz h LYS 93 N 0.68 0.00 0.00 0.00 3.64 -1.91 -2.77 116.57 116.21 1shz h LYS 93 Ca 0.57 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.84 1shz h LYS 93 Cb 1.01 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1shz h LYS 93 CO -0.35 0.00 -0.55 0.87 -2.27 0.00 0.00 179.45 177.15 1shz h LYS 94 N 0.00 0.00 0.10 1.90 1.79 -0.68 -3.11 116.57 116.56 1shz h LYS 94 Ca 0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 1shz h LYS 94 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1shz h LYS 94 CO 0.00 0.55 -1.06 0.00 -1.08 0.00 0.00 179.45 177.86 1shz h ALA 95 N 1.45 0.09 0.00 3.86 0.00 -1.43 -3.31 119.26 119.93 1shz h ALA 95 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1shz h ALA 95 Cb 1.08 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1shz h ALA 95 CO 0.07 0.59 0.27 0.35 0.00 0.00 0.00 179.25 180.53 1shz h PHE 96 N -0.48 0.00 0.89 0.00 3.57 -1.55 -2.01 116.94 117.36 1shz h PHE 96 Ca -0.23 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.23 1shz h PHE 96 Cb 1.59 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.33 1shz h PHE 96 CO 0.16 0.00 -0.43 1.25 -2.23 0.00 0.00 178.31 177.06 1shz h LEU 97 N 0.00 -1.02 0.66 0.59 5.85 -1.62 -2.32 115.31 117.45 1shz h LEU 97 Ca 0.00 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1shz h LEU 97 Cb 0.53 0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.83 1shz h LEU 97 CO 0.00 -0.70 -0.32 0.44 -0.34 0.00 0.00 178.44 177.52 1shz h ASP 98 N -1.25 -0.75 -1.58 1.25 3.32 -1.55 -2.13 116.42 113.73 1shz h ASP 98 Ca -0.12 -0.01 0.47 0.00 0.02 0.00 0.00 57.03 57.39 1shz h ASP 98 Cb 0.92 0.19 -0.08 0.00 0.22 0.00 0.00 39.33 40.58 1shz h ASP 98 CO 0.20 -0.46 1.11 0.15 -1.72 0.00 0.00 179.24 178.52 1shz h PHE 99 N -1.01 0.13 0.20 4.55 3.57 -1.59 1.10 116.94 123.90 1shz h PHE 99 Ca -0.09 0.01 -0.32 0.00 3.53 0.00 0.00 57.97 61.09 1shz h PHE 99 Cb 0.71 -0.03 0.02 0.00 2.79 0.00 0.00 35.95 39.44 1shz h PHE 99 CO -0.01 -0.04 -1.49 -0.92 -2.23 0.00 0.00 178.31 173.62 1shz h TYR 100 N 0.03 0.78 0.00 0.41 3.20 -1.06 -2.98 116.97 117.35 1shz h TYR 100 Ca 0.79 -0.57 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1shz h TYR 100 Cb 3.01 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 41.25 1shz h TYR 100 CO -0.00 1.51 0.00 0.72 -1.64 0.00 0.00 178.16 178.75 1shz n HIS 101 N -3.63 0.27 -0.08 -3.82 8.25 0.36 -0.37 115.22 116.20 1shz n HIS 101 Ca -0.17 0.08 -0.08 0.00 -0.26 0.00 0.00 57.72 57.30 1shz n HIS 101 Cb 1.08 -0.64 -0.13 0.00 1.12 0.00 0.00 29.99 31.42 1shz n HIS 101 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1shz n SER 102 N -1.73 0.89 0.01 0.41 7.64 0.32 -4.44 113.62 116.72 1shz n SER 102 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1shz n SER 102 Cb 0.33 0.95 0.00 0.00 -1.01 0.00 0.00 64.21 64.48 1shz n SER 102 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1shz n PHE 103 N -2.60 -0.05 0.17 1.43 3.01 -1.12 -1.85 117.46 116.45 1shz n PHE 103 Ca -0.26 0.01 0.04 0.00 1.01 0.00 0.00 57.45 58.24 1shz n PHE 103 Cb 1.02 0.07 0.29 0.00 -0.01 0.00 0.00 39.48 40.85 1shz n PHE 103 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1shz h LEU 104 N 0.00 0.00 -9.55 4.37 3.38 -1.62 -2.76 115.31 109.13 1shz h LEU 104 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1shz h LEU 104 Cb 0.74 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.64 1shz h LEU 104 CO 0.00 0.44 -0.10 1.21 0.09 0.00 0.00 178.44 180.08 1shz n GLU 105 N -3.64 0.91 0.21 1.13 4.07 0.50 -4.87 120.64 118.95 1shz n GLU 105 Ca -0.01 0.34 0.06 0.00 -0.06 0.00 0.00 57.16 57.49 1shz n GLU 105 Cb 0.53 -1.84 0.47 0.00 -0.06 0.00 0.00 31.44 30.54 1shz n GLU 105 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1shz h LYS 106 N 0.95 0.00 -0.34 5.31 3.64 -1.90 -3.12 116.57 121.12 1shz h LYS 106 Ca -0.44 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.68 1shz h LYS 106 Cb 1.37 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 32.88 1shz h LYS 106 CO 0.53 0.28 -0.86 0.25 -2.27 0.00 0.00 179.45 177.38 1shz n THR 107 N -3.87 1.62 -1.36 1.00 -2.24 -1.26 -5.06 114.28 103.10 1shz n THR 107 Ca -0.02 -3.00 -0.31 0.00 -2.27 0.00 0.00 64.05 58.45 1shz n THR 107 Cb 0.36 0.14 0.08 0.00 -2.10 0.00 0.00 70.33 68.81 1shz n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shz s ALA 108 N -2.83 2.37 0.03 6.98 0.00 -1.18 -4.97 121.76 122.16 1shz s ALA 108 Ca 0.38 0.24 -0.25 0.00 0.00 0.00 0.00 51.96 52.33 1shz s ALA 108 Cb 0.37 -3.25 -0.18 0.00 0.00 0.00 0.00 23.12 20.07 1shz s ALA 108 CO -0.05 -1.61 1.42 0.28 0.00 0.00 0.00 175.76 175.80 1shz h VAL 109 N -0.97 1.02 -2.24 0.00 2.07 -1.78 -3.23 116.25 111.14 1shz h VAL 109 Ca -0.44 -0.59 -0.80 0.00 0.82 0.00 0.00 66.70 65.70 1shz h VAL 109 Cb 1.23 1.39 -0.28 0.00 -1.52 0.00 0.00 31.29 32.11 1shz h VAL 109 CO 0.53 0.14 0.98 0.18 0.02 0.00 0.00 177.57 179.42 1shz n LEU 110 N -5.03 7.27 -4.73 2.57 4.77 -0.77 -5.02 117.00 116.06 1shz n LEU 110 Ca -0.09 -5.38 -0.42 0.00 -0.03 0.00 0.00 56.01 50.10 1shz n LEU 110 Cb 0.19 -1.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.11 1shz n LEU 110 CO 0.33 2.05 1.20 -0.60 -1.33 0.00 0.00 177.39 179.04 1shz s ARG 111 N -4.30 4.22 0.12 3.23 3.52 -1.22 -3.89 118.95 120.63 1shz s ARG 111 Ca 0.40 2.37 0.10 0.00 -0.13 0.00 0.00 55.73 58.47 1shz s ARG 111 Cb 0.20 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.43 1shz s ARG 111 CO -0.14 -0.57 -0.24 0.14 -0.81 0.00 0.00 175.30 173.68 1shz s VAL 112 N 0.75 2.01 0.11 7.11 -7.23 -1.04 -4.89 120.40 117.21 1shz s VAL 112 Ca 0.67 -1.65 -0.31 0.00 -1.81 0.00 0.00 61.98 58.88 1shz s VAL 112 Cb -0.44 -1.79 -0.09 0.00 0.56 0.00 0.00 36.38 34.62 1shz s VAL 112 CO 0.36 0.03 1.60 -2.16 -0.31 0.00 0.00 175.10 174.62 1shz s PRO 113 N -1.97 4.21 0.09 4.82 0.04 -1.26 -4.85 135.00 136.08 1shz s PRO 113 Ca 0.10 2.32 0.09 0.00 0.04 0.00 0.00 61.00 63.56 1shz s PRO 113 Cb -0.10 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 1shz s PRO 113 CO 0.05 -0.67 -0.25 0.14 0.04 0.00 0.00 177.00 176.32 1shz s VAL 114 N 1.99 2.03 0.56 -0.36 -7.23 -1.26 -4.85 120.40 111.27 1shz s VAL 114 Ca 0.72 -1.52 -0.20 0.00 -1.81 0.00 0.00 61.98 59.16 1shz s VAL 114 Cb -0.41 -1.78 -0.06 0.00 0.56 0.00 0.00 36.38 34.69 1shz s VAL 114 CO 0.32 0.16 1.07 -2.65 -0.31 0.00 0.00 175.10 173.69 1shz n PRO 115 N 1.35 1.17 0.26 4.82 -0.02 -1.26 -4.81 135.00 136.50 1shz n PRO 115 Ca -0.18 0.44 0.13 0.00 -2.02 0.00 0.00 63.50 61.87 1shz n PRO 115 Cb 0.53 -2.25 0.67 0.00 -0.02 0.00 0.00 33.50 32.43 1shz n PRO 115 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1shz h PRO 116 N 0.90 0.00 -0.02 0.52 0.13 -2.00 -1.47 132.00 130.05 1shz h PRO 116 Ca -0.48 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.43 1shz h PRO 116 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1shz h PRO 116 CO 0.53 0.13 -0.89 -2.95 -0.23 0.00 0.00 178.00 174.59 1shz h ASN 117 N 0.00 0.55 0.18 1.44 7.08 -1.99 -2.94 115.58 119.89 1shz h ASN 117 Ca -0.00 -0.42 -0.33 0.00 -3.08 0.00 0.00 56.30 52.47 1shz h ASN 117 Cb 0.48 -0.17 0.01 0.00 -2.08 0.00 0.00 38.32 36.56 1shz h ASN 117 CO 0.02 1.20 -1.65 0.58 -2.08 0.00 0.00 177.43 175.50 1shz h VAL 118 N 0.26 0.99 -0.11 6.14 2.07 -1.90 -3.16 116.25 120.53 1shz h VAL 118 Ca -0.07 -2.50 0.03 0.00 0.82 0.00 0.00 66.70 64.98 1shz h VAL 118 Cb 1.51 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 34.06 1shz h VAL 118 CO 0.16 0.83 0.12 0.00 0.02 0.00 0.00 177.57 178.69 1shz h ALA 119 N 0.08 1.75 0.00 1.67 0.00 -1.38 0.46 119.26 121.85 1shz h ALA 119 Ca -0.33 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1shz h ALA 119 Cb 2.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 1shz h ALA 119 CO 0.16 -0.18 -0.67 0.35 0.00 0.00 0.00 179.25 178.91 1shz h PHE 120 N 0.00 0.00 -0.58 0.00 3.57 -1.58 -3.33 116.94 115.02 1shz h PHE 120 Ca 0.05 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.22 1shz h PHE 120 Cb 0.30 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.91 1shz h PHE 120 CO 0.00 0.42 0.21 0.39 -2.23 0.00 0.00 178.31 177.10 1shz n GLU 121 N -3.10 2.01 -3.43 1.11 1.02 0.15 -5.10 120.64 113.30 1shz n GLU 121 Ca -0.00 -1.62 -0.24 0.00 -0.02 0.00 0.00 57.16 55.28 1shz n GLU 121 Cb 0.72 -1.84 -0.11 0.00 -0.02 0.00 0.00 31.44 30.19 1shz n GLU 121 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1shz s LEU 122 N -1.44 0.43 0.00 -4.62 1.43 -1.25 -5.04 118.68 108.19 1shz s LEU 122 Ca 0.46 -1.72 0.00 0.00 -1.03 0.00 0.00 54.13 51.85 1shz s LEU 122 Cb 0.29 0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.55 1shz s LEU 122 CO -0.09 -0.32 0.00 0.52 0.23 0.00 0.00 176.35 176.69 1shz n VAL 134 N 4.39 0.00 -0.28 -1.59 0.31 -1.26 -5.17 118.33 114.74 1shz n VAL 134 Ca 0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.39 1shz n VAL 134 Cb 0.41 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.44 1shz n VAL 134 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1shz h GLN 135 N 0.00 0.94 -0.15 5.55 4.15 -2.05 -0.87 115.11 122.67 1shz h GLN 135 Ca 0.00 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 1shz h GLN 135 Cb 0.00 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1shz h GLN 135 CO 0.00 0.62 -0.20 0.00 -1.93 0.00 0.00 178.83 177.32 1shz h ARG 136 N 0.96 0.25 0.00 1.69 3.08 -2.03 -1.96 114.38 116.37 1shz h ARG 136 Ca 0.32 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 1shz h ARG 136 Cb 0.03 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1shz h ARG 136 CO -0.12 0.45 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.10 1shz h ARG 137 N 0.23 0.00 0.00 0.04 2.43 -1.61 -2.21 114.38 113.27 1shz h ARG 137 Ca 0.04 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 1shz h ARG 137 Cb 0.49 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1shz h ARG 137 CO 0.03 0.04 -0.49 0.74 -1.51 0.00 0.00 179.97 178.78 1shz h PHE 138 N 0.00 0.00 -0.03 2.20 0.04 -1.12 -3.29 116.94 114.75 1shz h PHE 138 Ca -0.00 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.80 1shz h PHE 138 Cb 0.13 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 1shz h PHE 138 CO 0.00 1.06 -0.17 0.28 -0.60 0.00 0.00 178.31 178.88 1shz h VAL 139 N -1.00 0.57 -1.04 -0.55 2.07 -1.41 -0.68 116.25 114.22 1shz h VAL 139 Ca -0.13 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.66 1shz h VAL 139 Cb 1.02 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 1shz h VAL 139 CO -0.08 0.00 0.69 -0.61 0.02 0.00 0.00 177.57 177.60 1shz h GLN 140 N -0.27 0.26 -0.06 1.57 -0.00 -1.58 0.28 115.11 115.31 1shz h GLN 140 Ca 0.06 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.65 1shz h GLN 140 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.78 1shz h GLN 140 CO -0.19 0.17 -0.14 1.49 0.00 0.00 0.00 178.83 180.17 1shz h GLU 141 N 0.27 0.20 -0.62 1.69 4.57 -1.24 -1.92 114.58 117.52 1shz h GLU 141 Ca 0.55 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.58 1shz h GLU 141 Cb 1.64 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.22 1shz h GLU 141 CO -0.19 0.74 0.33 0.28 -1.18 0.00 0.00 179.01 178.98 1shz h VAL 142 N -0.32 1.21 -0.34 0.32 2.07 0.62 -2.88 116.25 116.93 1shz h VAL 142 Ca -0.00 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1shz h VAL 142 Cb 0.74 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1shz h VAL 142 CO 0.03 0.23 -0.07 0.58 0.02 0.00 0.00 177.57 178.36 1shz h VAL 143 N 0.85 1.28 0.00 2.57 2.07 -0.73 -2.56 116.25 119.72 1shz h VAL 143 Ca 0.22 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1shz h VAL 143 Cb 0.07 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1shz h VAL 143 CO -0.03 0.36 0.00 1.67 0.02 0.00 0.00 177.57 179.59 1shz n GLN 144 N -4.45 0.42 -0.00 1.57 0.00 -0.72 -1.62 117.38 112.58 1shz n GLN 144 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.00 57.00 1shz n GLN 144 Cb 0.32 -1.02 -0.04 0.00 0.00 0.00 0.00 30.24 29.51 1shz n GLN 144 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1shz n SER 145 N -0.43 3.85 0.11 1.69 2.88 -0.97 -4.55 113.62 116.19 1shz n SER 145 Ca 0.00 -0.01 0.09 0.00 -1.33 0.00 0.00 58.87 57.62 1shz n SER 145 Cb 0.01 1.22 0.01 0.00 -0.75 0.00 0.00 64.21 64.70 1shz n SER 145 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1shz h GLN 146 N 0.00 0.00 -0.28 -1.46 1.08 -1.27 -3.41 115.11 109.77 1shz h GLN 146 Ca 0.00 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1shz h GLN 146 Cb 0.22 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1shz h GLN 146 CO 0.00 0.08 -0.17 1.04 -0.95 0.00 0.00 178.83 178.83 1shz n GLN 147 N -2.80 -0.12 -0.11 1.46 1.13 -1.18 0.10 117.38 115.85 1shz n GLN 147 Ca -0.01 0.75 -0.05 0.00 -1.94 0.00 0.00 57.00 55.75 1shz n GLN 147 Cb 0.61 -1.11 0.02 0.00 0.11 0.00 0.00 30.24 29.87 1shz n GLN 147 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1shz h VAL 148 N 0.00 0.79 -0.12 5.09 2.07 -1.91 0.25 116.25 122.42 1shz h VAL 148 Ca 0.05 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1shz h VAL 148 Cb 0.12 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1shz h VAL 148 CO -0.26 0.03 0.07 0.00 0.02 0.00 0.00 177.57 177.43 1shz h ALA 149 N 1.29 0.16 0.00 1.67 0.00 -1.22 -1.16 119.26 120.00 1shz h ALA 149 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1shz h ALA 149 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1shz h ALA 149 CO -0.25 -0.31 0.00 0.28 0.00 0.00 0.00 179.25 178.97 1shz h VAL 150 N 0.12 0.00 0.03 0.00 2.07 0.01 -2.62 116.25 115.85 1shz h VAL 150 Ca 0.04 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1shz h VAL 150 Cb 0.06 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1shz h VAL 150 CO -0.01 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 178.80 1shz h GLY 151 N 1.42 -0.04 1.14 2.17 0.00 0.46 -3.00 103.07 105.23 1shz h GLY 151 Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.43 1shz h GLY 151 CO 0.00 -0.01 0.35 3.21 0.00 0.00 0.00 176.54 180.08 1shz h ARG 152 N -0.82 0.00 0.14 4.80 2.47 -0.88 -1.71 114.38 118.38 1shz h ARG 152 Ca -0.00 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.41 1shz h ARG 152 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1shz h ARG 152 CO 0.01 0.00 -1.44 1.96 0.56 0.00 0.00 179.97 181.05 1shz h GLN 153 N 0.00 0.30 -0.21 0.04 4.20 -1.50 -2.71 115.11 115.24 1shz h GLN 153 Ca 0.14 -0.52 -0.19 0.00 0.06 0.00 0.00 58.65 58.14 1shz h GLN 153 Cb 0.83 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1shz h GLN 153 CO -0.00 1.21 -0.60 -0.07 -0.67 0.00 0.00 178.83 178.70 1shz h LEU 154 N 0.08 0.88 -0.06 1.46 3.38 -1.20 0.61 115.31 120.48 1shz h LEU 154 Ca -0.21 -0.58 0.02 0.00 0.09 0.00 0.00 57.88 57.19 1shz h LEU 154 Cb 2.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 1shz h LEU 154 CO 0.19 1.31 -0.04 -0.08 0.09 0.00 0.00 178.44 179.91 1shz h GLU 155 N 0.50 -0.04 -0.02 1.13 4.81 -1.48 0.18 114.58 119.66 1shz h GLU 155 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1shz h GLU 155 Cb 1.22 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1shz h GLU 155 CO 0.13 -0.03 -0.09 0.22 -0.73 0.00 0.00 179.01 178.51 1shz h ASP 156 N -0.04 0.03 -0.04 1.04 1.82 -1.39 -0.87 116.42 116.96 1shz h ASP 156 Ca 0.04 -0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 1shz h ASP 156 Cb 0.10 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.10 1shz h ASP 156 CO -0.08 0.13 -0.07 0.15 -1.61 0.00 0.00 179.24 177.76 1shz h PHE 157 N 0.04 0.15 -0.81 0.28 3.57 0.10 -2.06 116.94 118.20 1shz h PHE 157 Ca 0.01 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.48 1shz h PHE 157 Cb 0.19 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1shz h PHE 157 CO 0.00 0.63 0.53 0.00 -2.23 0.00 0.00 178.31 177.24 1shz h ARG 158 N -0.37 1.01 0.67 1.11 3.08 -0.31 0.18 114.38 119.76 1shz h ARG 158 Ca 0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1shz h ARG 158 Cb 0.61 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.44 1shz h ARG 158 CO 0.02 0.67 -0.32 0.77 -1.07 0.00 0.00 179.97 180.03 1shz h SER 159 N 1.04 -0.77 -0.65 7.04 0.02 -1.13 -2.47 113.55 116.63 1shz h SER 159 Ca 0.31 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.30 1shz h SER 159 Cb -0.03 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1shz h SER 159 CO -0.08 -0.45 0.43 0.11 -1.14 0.00 0.00 176.83 175.69 1shz h LYS 160 N -1.07 0.69 -0.62 3.45 1.79 -1.19 -1.87 116.57 117.74 1shz h LYS 160 Ca -0.09 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.42 1shz h LYS 160 Cb 0.73 -0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 31.16 1shz h LYS 160 CO 0.15 0.45 0.26 -0.09 -1.08 0.00 0.00 179.45 179.15 1shz h ARG 161 N 0.71 0.45 -0.38 3.15 9.65 -0.42 0.38 114.38 127.92 1shz h ARG 161 Ca 0.27 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.10 1shz h ARG 161 Cb 0.17 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 1shz h ARG 161 CO -0.08 0.30 0.15 -0.07 2.80 0.00 0.00 179.97 183.07 1shz h LEU 162 N 0.46 0.53 -0.11 3.80 3.38 -0.88 -0.90 115.31 121.60 1shz h LEU 162 Ca 0.31 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1shz h LEU 162 Cb 0.35 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1shz h LEU 162 CO -0.28 0.56 0.00 0.23 0.09 0.00 0.00 178.44 179.04 1shz n MET 163 N -4.66 0.69 -3.90 1.13 2.81 -0.85 -4.85 117.12 107.50 1shz n MET 163 Ca -0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.61 1shz n MET 163 Cb 0.15 -1.04 0.01 0.00 -0.71 0.00 0.00 33.22 31.63 1shz n MET 163 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1shz n GLY 164 N 0.19 -0.36 0.51 3.03 0.00 -0.34 -4.87 105.19 103.35 1shz n GLY 164 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1shz n GLY 164 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1shz n MET 165 N -4.46 2.51 -3.15 1.61 0.00 0.03 -5.00 117.12 108.66 1shz n MET 165 Ca -0.14 -1.83 -0.33 0.00 0.00 0.00 0.00 57.70 55.40 1shz n MET 165 Cb 0.61 -1.22 -0.06 0.00 0.00 0.00 0.00 33.22 32.55 1shz n MET 165 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1shz s THR 166 N -0.97 4.68 0.77 1.12 -4.23 -1.25 -4.91 115.64 110.85 1shz s THR 166 Ca 0.18 0.96 -0.12 0.00 -1.18 0.00 0.00 61.69 61.53 1shz s THR 166 Cb 0.10 -3.64 0.05 0.00 1.34 0.00 0.00 72.50 70.35 1shz s THR 166 CO 0.13 -0.13 1.13 -2.16 -0.54 0.00 0.00 174.62 173.05 1shz s PRO 167 N -2.85 2.32 -0.34 3.99 0.04 -1.26 -4.02 135.00 132.88 1shz s PRO 167 Ca 0.52 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1shz s PRO 167 Cb -0.11 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1shz s PRO 167 CO 0.18 -1.39 0.00 0.91 0.04 0.00 0.00 177.00 176.74 1shz n TRP 168 N -3.22 -1.59 0.29 0.56 5.03 -1.26 -4.74 117.44 112.51 1shz n TRP 168 Ca 0.07 0.00 0.19 0.00 3.03 0.00 0.00 57.50 60.79 1shz n TRP 168 Cb 0.59 -1.51 0.84 0.00 -1.03 0.00 0.00 31.31 30.20 1shz n TRP 168 CO 0.00 0.00 0.00 1.49 -0.03 0.00 0.00 177.69 179.15 1shz h GLU 169 N 0.00 0.00 0.44 -0.99 4.57 -1.99 -0.02 114.58 116.59 1shz h GLU 169 Ca -0.09 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1shz h GLU 169 Cb 0.87 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1shz h GLU 169 CO 0.11 0.01 -0.21 0.37 -1.18 0.00 0.00 179.01 178.10 1shz h GLN 170 N 0.00 -0.57 -0.64 1.92 5.75 -1.92 -1.84 115.11 117.81 1shz h GLN 170 Ca -0.00 0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1shz h GLN 170 Cb 0.36 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 1shz h GLN 170 CO 0.00 -0.38 0.36 0.93 -2.65 0.00 0.00 178.83 177.10 1shz h GLU 171 N -1.16 0.88 0.26 1.69 3.07 -1.94 -1.26 114.58 116.13 1shz h GLU 171 Ca -0.06 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1shz h GLU 171 Cb 0.46 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 1shz h GLU 171 CO 0.10 0.66 -0.48 1.25 -1.40 0.00 0.00 179.01 179.13 1shz h LEU 172 N 0.87 -1.40 -1.40 1.33 5.85 -1.07 -0.48 115.31 119.01 1shz h LEU 172 Ca 0.23 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 1shz h LEU 172 Cb 0.02 0.50 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1shz h LEU 172 CO -0.04 -0.58 0.33 0.00 -0.34 0.00 0.00 178.44 177.82 1shz h ALA 173 N -0.54 1.55 -0.17 1.25 0.00 -1.24 -2.20 119.26 117.92 1shz h ALA 173 Ca -0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1shz h ALA 173 Cb 0.78 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1shz h ALA 173 CO -0.19 0.39 -0.09 0.37 0.00 0.00 0.00 179.25 179.73 1shz h GLN 174 N 0.75 0.26 0.00 0.00 4.15 -0.47 -2.31 115.11 117.48 1shz h GLN 174 Ca 0.20 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.44 1shz h GLN 174 Cb -0.03 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1shz h GLN 174 CO -0.04 0.36 -0.67 1.25 -1.93 0.00 0.00 178.83 177.80 1shz h LEU 175 N 0.25 0.00 -4.22 -2.39 5.85 -0.51 -3.36 115.31 110.93 1shz h LEU 175 Ca 0.05 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.54 1shz h LEU 175 Cb 0.32 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1shz h LEU 175 CO 0.02 0.54 0.23 -0.62 -0.34 0.00 0.00 178.44 178.27 1shz n GLU 176 N -3.18 2.06 0.00 1.25 1.02 -0.87 -2.61 120.64 118.31 1shz n GLU 176 Ca 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.06 1shz n GLU 176 Cb 0.76 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1shz n GLU 176 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1shz n ALA 177 N 2.70 0.00 -1.00 0.62 0.00 -1.26 -5.02 120.51 116.56 1shz n ALA 177 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1shz n ALA 177 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 1shz n ALA 177 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1shz n TRP 178 N -0.05 0.00 0.00 0.00 -0.00 -1.07 -5.19 117.44 111.13 1shz n TRP 178 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1shz n TRP 178 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1shz n TRP 178 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1shz n SER 185 N 0.00 0.00 -0.09 5.87 2.88 -1.26 -5.12 113.62 115.90 1shz n SER 185 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1shz n SER 185 Cb 0.00 -0.08 -0.02 0.00 -0.75 0.00 0.00 64.21 63.37 1shz n SER 185 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1shz h TYR 186 N 0.00 1.07 0.00 0.66 5.03 -2.04 -2.75 116.97 118.94 1shz h TYR 186 Ca 0.00 -0.35 0.00 0.00 2.58 0.00 0.00 58.73 60.96 1shz h TYR 186 Cb 0.00 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.07 1shz h TYR 186 CO 0.00 1.17 0.00 0.93 -1.32 0.00 0.00 178.16 178.94 1shz h GLU 187 N 0.69 0.00 -0.17 1.82 5.08 -2.04 -0.21 114.58 119.76 1shz h GLU 187 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1shz h GLU 187 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1shz h GLU 187 CO 0.11 0.00 0.07 0.00 -1.00 0.00 0.00 179.01 178.19 1shz h ALA 188 N 2.01 0.22 0.15 3.43 0.00 -1.92 -1.67 119.26 121.49 1shz h ALA 188 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 1shz h ALA 188 Cb 0.10 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.84 1shz h ALA 188 CO 0.00 -0.19 -1.04 -0.09 0.00 0.00 0.00 179.25 177.93 1shz h ARG 189 N 0.13 0.33 -0.89 0.00 2.43 -1.50 -2.82 114.38 112.05 1shz h ARG 189 Ca 0.06 -0.56 0.16 0.00 -0.81 0.00 0.00 59.98 58.84 1shz h ARG 189 Cb 0.16 0.21 -0.10 0.00 -0.42 0.00 0.00 29.97 29.82 1shz h ARG 189 CO -0.01 1.27 0.48 1.49 -1.51 0.00 0.00 179.97 181.69 1shz h GLU 190 N -0.28 0.62 0.00 0.20 4.81 -1.09 0.77 114.58 119.61 1shz h GLU 190 Ca -0.19 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1shz h GLU 190 Cb 1.75 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.98 1shz h GLU 190 CO 0.15 0.41 -0.30 0.00 -0.73 0.00 0.00 179.01 178.54 1shz h ARG 191 N 0.64 0.00 0.09 1.92 3.08 -1.42 -3.09 114.38 115.60 1shz h ARG 191 Ca 0.50 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.55 1shz h ARG 191 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1shz h ARG 191 CO -0.38 0.09 -0.04 1.25 -1.07 0.00 0.00 179.97 179.82 1shz h HIS 192 N 0.00 -0.11 -0.61 3.04 2.76 0.05 -3.12 115.15 117.16 1shz h HIS 192 Ca -0.01 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.26 1shz h HIS 192 Cb 1.09 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 30.05 1shz h HIS 192 CO 0.00 0.43 0.41 0.28 -1.30 0.00 0.00 177.93 177.75 1shz h VAL 193 N -0.84 0.90 0.29 5.26 2.07 0.18 -2.47 116.25 121.65 1shz h VAL 193 Ca -0.01 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1shz h VAL 193 Cb 0.59 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1shz h VAL 193 CO 0.02 0.08 -0.14 0.00 0.02 0.00 0.00 177.57 177.55 1shz h ALA 194 N 1.69 -0.40 -0.00 1.67 0.00 -1.57 -1.43 119.26 119.23 1shz h ALA 194 Ca 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1shz h ALA 194 Cb 0.54 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1shz h ALA 194 CO -0.08 -0.72 -0.07 1.05 0.00 0.00 0.00 179.25 179.43 1shz h GLU 195 N -0.40 0.00 -0.11 0.00 4.11 -1.38 0.53 114.58 117.34 1shz h GLU 195 Ca -0.04 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.35 1shz h GLU 195 Cb 0.30 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1shz h GLU 195 CO 0.07 0.07 -0.10 -0.09 0.07 0.00 0.00 179.01 179.03 1shz h ARG 196 N 0.00 0.26 -0.42 1.06 2.43 -1.34 -2.47 114.38 113.90 1shz h ARG 196 Ca -0.00 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 1shz h ARG 196 Cb 0.13 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1shz h ARG 196 CO 0.01 0.66 0.08 -0.07 -1.51 0.00 0.00 179.97 179.14 1shz h LEU 197 N -0.13 0.65 -2.56 3.80 3.38 -0.27 -2.57 115.31 117.60 1shz h LEU 197 Ca 0.02 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1shz h LEU 197 Cb 0.61 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1shz h LEU 197 CO 0.02 0.73 0.08 0.25 0.09 0.00 0.00 178.44 179.62 1shz h LEU 198 N 0.54 0.00 0.18 1.67 5.85 0.04 -1.45 115.31 122.15 1shz h LEU 198 Ca 0.13 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.57 1shz h LEU 198 Cb 0.35 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.40 1shz h LEU 198 CO 0.01 0.00 -1.29 0.24 -0.34 0.00 0.00 178.44 177.06 1shz h MET 199 N 0.00 0.39 -0.29 1.25 2.86 -1.05 -3.05 114.93 115.03 1shz h MET 199 Ca 0.02 -0.66 0.09 0.00 -2.06 0.00 0.00 59.70 57.08 1shz h MET 199 Cb 0.19 0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1shz h MET 199 CO -0.00 1.32 0.25 0.45 1.06 0.00 0.00 176.91 179.99 1shz h HIS 200 N -0.12 0.00 0.05 -0.22 3.86 -0.99 0.88 115.15 118.61 1shz h HIS 200 Ca -0.24 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.73 1shz h HIS 200 Cb 1.91 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.38 1shz h HIS 200 CO 0.15 0.00 -1.05 1.25 0.86 0.00 0.00 177.93 179.14 1shz h LEU 201 N 0.00 0.45 -0.01 2.43 6.46 -1.41 -3.23 115.31 120.00 1shz h LEU 201 Ca 0.14 -0.41 -0.09 0.00 -0.12 0.00 0.00 57.88 57.40 1shz h LEU 201 Cb 0.64 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1shz h LEU 201 CO -0.00 1.25 -0.34 -0.33 -0.62 0.00 0.00 178.44 178.40 1shz h GLU 202 N 0.15 0.24 0.00 1.25 5.08 -0.91 -2.82 114.58 117.58 1shz h GLU 202 Ca -0.10 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1shz h GLU 202 Cb 1.72 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.04 1shz h GLU 202 CO 0.17 0.96 0.02 0.39 -1.00 0.00 0.00 179.01 179.56 1shz n GLU 203 N -4.43 0.00 -0.22 2.33 4.71 0.11 -0.77 120.64 122.36 1shz n GLU 203 Ca -0.10 0.41 0.05 0.00 -0.01 0.00 0.00 57.16 57.51 1shz n GLU 203 Cb 0.54 -1.52 0.07 0.00 -1.01 0.00 0.00 31.44 29.52 1shz n GLU 203 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1shz n MET 204 N -1.41 0.85 0.00 3.49 2.81 -1.21 -4.77 117.12 116.88 1shz n MET 204 Ca 0.00 -1.74 0.05 0.00 -1.81 0.00 0.00 57.70 54.19 1shz n MET 204 Cb 0.02 -1.01 0.21 0.00 -0.71 0.00 0.00 33.22 31.73 1shz n MET 204 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1shz n GLN 205 N -0.71 0.00 0.00 0.03 10.64 0.05 -3.09 117.38 124.30 1shz n GLN 205 Ca 0.07 0.34 0.00 0.00 -1.83 0.00 0.00 57.00 55.58 1shz n GLN 205 Cb 0.62 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 1shz n GLN 205 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1shz n HIS 206 N -1.52 0.00 -1.57 2.61 8.25 -1.26 -2.75 115.22 118.98 1shz n HIS 206 Ca 0.02 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1shz n HIS 206 Cb 0.11 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1shz n HIS 206 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1shz n THR 207 N 0.40 0.00 -0.20 1.59 -2.24 -1.18 -4.90 114.28 107.74 1shz n THR 207 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1shz n THR 207 Cb 0.33 0.74 0.28 0.00 -2.10 0.00 0.00 70.33 69.59 1shz n THR 207 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1shz h ILE 208 N 1.53 1.14 -1.80 2.28 2.04 -1.72 -3.46 117.51 117.52 1shz h ILE 208 Ca 0.00 -0.32 0.22 0.00 1.00 0.00 0.00 64.86 65.76 1shz h ILE 208 Cb 0.63 0.13 -0.15 0.00 -0.74 0.00 0.00 36.82 36.69 1shz h ILE 208 CO 0.00 0.17 0.69 -0.55 0.00 0.00 0.00 178.15 178.46 1shz s SER 209 N -6.32 -0.19 0.19 1.72 0.15 -1.26 -4.87 113.70 103.12 1shz s SER 209 Ca -0.11 -0.07 -0.12 0.00 0.70 0.00 0.00 55.95 56.36 1shz s SER 209 Cb 0.18 0.26 0.13 0.00 -1.71 0.00 0.00 66.02 64.88 1shz s SER 209 CO 0.78 -0.43 1.85 0.00 1.20 0.00 0.00 173.24 176.63 1shz h THR 210 N 2.00 1.12 -1.81 6.45 1.03 -1.98 -3.40 112.91 116.32 1shz h THR 210 Ca -0.18 -0.28 -0.51 0.00 -0.01 0.00 0.00 66.41 65.43 1shz h THR 210 Cb 1.20 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.52 1shz h THR 210 CO 0.26 0.15 1.56 -0.62 -0.01 0.00 0.00 175.52 176.86 1shz s ASP 211 N -5.73 4.87 0.00 0.00 2.15 -1.26 -4.76 116.67 111.94 1shz s ASP 211 Ca -0.13 1.31 0.00 0.00 0.43 0.00 0.00 52.55 54.16 1shz s ASP 211 Cb 0.14 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1shz s ASP 211 CO 0.76 -2.51 0.52 -0.62 -0.17 0.00 0.00 175.17 173.16 1shz n GLU 212 N 8.92 0.00 -0.05 4.34 1.02 -1.26 -1.63 120.64 131.98 1shz n GLU 212 Ca 0.33 0.04 -0.07 0.00 -0.02 0.00 0.00 57.16 57.44 1shz n GLU 212 Cb 0.51 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.39 1shz n GLU 212 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1shz n GLU 213 N -1.02 0.31 0.27 3.49 0.00 -1.26 -4.44 120.64 117.98 1shz n GLU 213 Ca 0.00 0.05 0.14 0.00 0.00 0.00 0.00 57.16 57.36 1shz n GLU 213 Cb 0.00 -1.19 0.86 0.00 0.00 0.00 0.00 31.44 31.11 1shz n GLU 213 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1shz h LYS 214 N 0.00 0.00 0.02 5.31 3.64 -1.69 -1.81 116.57 122.04 1shz h LYS 214 Ca -0.21 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1shz h LYS 214 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1shz h LYS 214 CO -0.03 0.00 -0.01 0.66 -2.27 0.00 0.00 179.45 177.80 1shz h SER 215 N 0.00 -0.02 -0.80 4.20 4.64 -1.74 -2.07 113.55 117.75 1shz h SER 215 Ca 0.02 -0.43 0.03 0.00 -0.47 0.00 0.00 61.79 60.94 1shz h SER 215 Cb 0.10 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.15 1shz h SER 215 CO -0.00 0.42 0.53 0.00 -0.87 0.00 0.00 176.83 176.91 1shz h ALA 216 N 0.50 1.51 -0.26 5.18 0.00 -1.57 -1.94 119.26 122.68 1shz h ALA 216 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1shz h ALA 216 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1shz h ALA 216 CO 0.00 0.41 0.09 0.00 0.00 0.00 0.00 179.25 179.75 1shz h ALA 217 N 1.53 0.34 -0.75 0.00 0.00 -1.35 -2.41 119.26 116.62 1shz h ALA 217 Ca 0.32 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1shz h ALA 217 Cb 0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1shz h ALA 217 CO -0.09 -0.04 0.45 0.28 0.00 0.00 0.00 179.25 179.84 1shz h VAL 218 N 0.26 1.03 -0.18 0.00 2.07 -0.72 -1.02 116.25 117.69 1shz h VAL 218 Ca 0.09 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1shz h VAL 218 Cb 0.22 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1shz h VAL 218 CO -0.00 0.15 0.04 0.58 0.02 0.00 0.00 177.57 178.36 1shz h VAL 219 N 0.84 1.21 -0.46 2.57 2.07 -1.25 -2.75 116.25 118.47 1shz h VAL 219 Ca 0.32 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1shz h VAL 219 Cb 0.14 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1shz h VAL 219 CO -0.16 0.21 0.08 0.78 0.02 0.00 0.00 177.57 178.50 1shz h ASN 220 N 0.09 0.65 0.24 0.57 2.35 -1.25 -0.05 115.58 118.18 1shz h ASN 220 Ca 0.05 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1shz h ASN 220 Cb 0.28 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1shz h ASN 220 CO 0.00 0.67 -0.06 0.00 -1.65 0.00 0.00 177.43 176.39 1shz h ALA 221 N 1.42 1.30 0.00 -0.83 0.00 -0.98 -1.32 119.26 118.85 1shz h ALA 221 Ca 0.15 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 1shz h ALA 221 Cb 0.30 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1shz h ALA 221 CO 0.00 0.07 -1.83 -0.89 0.00 0.00 0.00 179.25 176.60 1shz n ILE 222 N -3.60 1.36 -0.10 0.00 5.41 -0.70 -4.04 119.36 117.70 1shz n ILE 222 Ca -0.02 -0.77 -0.07 0.00 1.00 0.00 0.00 62.75 62.89 1shz n ILE 222 Cb 0.17 -0.75 0.01 0.00 -0.71 0.00 0.00 39.64 38.35 1shz n ILE 222 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1shz h GLY 223 N 3.72 0.45 0.59 7.39 0.00 0.10 -1.37 103.07 113.97 1shz h GLY 223 Ca -0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1shz h GLY 223 CO 0.05 0.07 -0.33 1.41 0.00 0.00 0.00 176.54 177.74 1shz h LEU 224 N 0.32 -0.82 -1.97 3.11 4.07 -1.60 0.46 115.31 118.88 1shz h LEU 224 Ca 0.15 0.04 0.10 0.00 0.08 0.00 0.00 57.88 58.24 1shz h LEU 224 Cb 0.08 0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 1shz h LEU 224 CO -0.12 -0.53 0.25 0.22 -1.08 0.00 0.00 178.44 177.18 1shz h TYR 225 N -0.86 0.04 -0.13 1.13 3.20 -1.70 -0.09 116.97 118.56 1shz h TYR 225 Ca -0.08 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.72 1shz h TYR 225 Cb 0.67 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 1shz h TYR 225 CO 0.01 0.02 -0.19 0.52 -1.64 0.00 0.00 178.16 176.88 1shz h MET 226 N 0.04 0.37 -0.85 1.82 2.86 -1.00 -2.88 114.93 115.28 1shz h MET 226 Ca 0.17 -0.21 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1shz h MET 226 Cb 0.62 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.24 1shz h MET 226 CO -0.01 0.79 0.55 -0.09 1.06 0.00 0.00 176.91 179.22 1shz h ARG 227 N -0.03 0.89 -0.01 1.72 2.43 0.20 0.16 114.38 119.74 1shz h ARG 227 Ca 0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1shz h ARG 227 Cb 0.75 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1shz h ARG 227 CO 0.04 0.59 0.16 1.25 -1.51 0.00 0.00 179.97 180.51 1shz h HIS 228 N 0.92 0.00 -0.01 2.20 2.76 -0.84 0.15 115.15 120.33 1shz h HIS 228 Ca 0.37 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 1shz h HIS 228 Cb 0.27 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.23 1shz h HIS 228 CO -0.00 0.00 -0.21 1.28 -1.30 0.00 0.00 177.93 177.69 1shz n LEU 229 N -3.02 1.78 0.00 0.26 4.77 0.46 -4.97 117.00 116.29 1shz n LEU 229 Ca -0.02 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1shz n LEU 229 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1shz n LEU 229 CO 0.17 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1shz n GLY 230 N 1.03 0.85 3.48 -0.72 0.00 0.53 -5.04 105.19 105.32 1shz n GLY 230 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1shz n GLY 230 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1shz s VAL 231 N -2.00 4.83 0.17 1.61 1.01 -0.65 -4.96 120.40 120.41 1shz s VAL 231 Ca 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1shz s VAL 231 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1shz s VAL 231 CO 0.00 -0.72 -0.08 -0.13 0.00 0.00 0.00 175.10 174.17 1shz s ARG 232 N 2.78 2.12 0.00 2.72 0.52 -1.26 -3.05 118.95 122.78 1shz s ARG 232 Ca 0.19 -1.20 0.10 0.00 -0.52 0.00 0.00 55.73 54.30 1shz s ARG 232 Cb -0.16 -2.21 0.08 0.00 0.52 0.00 0.00 34.95 33.17 1shz s ARG 232 CO 0.15 0.45 0.81 2.41 0.02 0.00 0.00 175.30 179.15