#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssy s ASN 2 N 0.00 -0.05 0.38 6.12 2.20 -1.26 -5.02 114.94 117.31 1ssy s ASN 2 Ca 0.00 -0.96 0.07 0.00 -0.94 0.00 0.00 52.86 51.03 1ssy s ASN 2 Cb 0.00 0.77 0.81 0.00 -2.00 0.00 0.00 41.25 40.83 1ssy s ASN 2 CO 0.00 -1.51 1.98 -0.29 -2.94 0.00 0.00 177.10 174.34 1ssy h ILE 3 N 2.00 1.02 -0.30 0.54 6.09 -1.97 -0.08 117.51 124.81 1ssy h ILE 3 Ca -0.29 -0.23 -0.05 0.00 -1.37 0.00 0.00 64.86 62.92 1ssy h ILE 3 Cb 1.24 0.29 -0.01 0.00 0.47 0.00 0.00 36.82 38.82 1ssy h ILE 3 CO 0.36 0.12 -0.02 -0.26 -3.07 0.00 0.00 178.15 175.28 1ssy h PHE 4 N 0.67 0.59 -0.21 2.19 0.04 -1.99 -2.07 116.94 116.15 1ssy h PHE 4 Ca 0.28 -0.11 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 1ssy h PHE 4 Cb 0.25 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1ssy h PHE 4 CO -0.00 0.70 -0.38 0.93 -0.60 0.00 0.00 178.31 178.95 1ssy h GLU 5 N 0.32 0.47 0.98 1.51 5.08 -1.84 -2.30 114.58 118.80 1ssy h GLU 5 Ca 0.08 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1ssy h GLU 5 Cb 0.48 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ssy h GLU 5 CO 0.02 0.79 -0.47 1.98 -1.00 0.00 0.00 179.01 180.32 1ssy h MET 6 N 0.40 -1.27 0.00 2.33 4.05 -0.94 -1.77 114.93 117.72 1ssy h MET 6 Ca 0.04 0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 1ssy h MET 6 Cb 0.85 0.29 -0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1ssy h MET 6 CO 0.07 -0.85 -0.08 -0.07 0.23 0.00 0.00 176.91 176.21 1ssy h LEU 7 N -1.32 0.00 -0.21 3.39 3.38 -1.41 -1.72 115.31 117.42 1ssy h LEU 7 Ca -0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1ssy h LEU 7 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1ssy h LEU 7 CO 0.22 0.08 0.00 -0.09 0.09 0.00 0.00 178.44 178.74 1ssy h ARG 8 N 0.00 0.36 -0.59 1.13 9.65 -1.19 0.11 114.38 123.85 1ssy h ARG 8 Ca -0.00 -0.12 -0.07 0.00 -1.10 0.00 0.00 59.98 58.69 1ssy h ARG 8 Cb 0.23 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1ssy h ARG 8 CO 0.01 0.56 0.09 0.82 2.80 0.00 0.00 179.97 184.25 1ssy h ILE 9 N 0.13 1.25 0.00 1.20 2.04 -0.52 -0.11 117.51 121.49 1ssy h ILE 9 Ca 0.06 -0.98 -0.16 0.00 1.00 0.00 0.00 64.86 64.77 1ssy h ILE 9 Cb 0.39 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1ssy h ILE 9 CO 0.01 0.36 -0.87 0.44 0.00 0.00 0.00 178.15 178.09 1ssy h ASP 10 N 0.91 0.00 0.00 1.72 3.32 -1.20 -3.39 116.42 117.78 1ssy h ASP 10 Ca 0.18 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 1ssy h ASP 10 Cb 0.41 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1ssy h ASP 10 CO 0.01 0.71 -1.54 -0.62 -1.72 0.00 0.00 179.24 176.08 1ssy n GLU 11 N -3.21 2.15 0.00 3.56 -0.58 0.36 -5.06 120.64 117.86 1ssy n GLU 11 Ca -0.02 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1ssy n GLU 11 Cb 0.84 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.49 1ssy n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ssy n GLY 12 N 2.38 -1.24 2.49 0.62 0.00 -0.06 -4.74 105.19 104.65 1ssy n GLY 12 Ca -0.11 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 1ssy n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ssy s LEU 13 N -2.37 1.02 -0.01 0.99 2.96 -1.26 -4.16 118.68 115.85 1ssy s LEU 13 Ca 0.00 -2.08 -0.15 0.00 -0.22 0.00 0.00 54.13 51.68 1ssy s LEU 13 Cb 0.00 -0.43 -0.06 0.00 0.50 0.00 0.00 46.19 46.21 1ssy s LEU 13 CO 0.00 -0.33 0.41 -0.13 -1.32 0.00 0.00 176.35 174.98 1ssy s ARG 14 N 1.18 3.94 0.19 1.98 0.52 -0.68 -4.93 118.95 121.15 1ssy s ARG 14 Ca 0.17 0.41 0.23 0.00 -0.52 0.00 0.00 55.73 56.01 1ssy s ARG 14 Cb -0.22 -3.23 0.02 0.00 0.52 0.00 0.00 34.95 32.03 1ssy s ARG 14 CO -0.04 0.67 1.05 1.28 0.02 0.00 0.00 175.30 178.27 1ssy n LEU 15 N 1.92 0.82 -4.57 2.53 4.77 -1.26 -0.59 117.00 120.62 1ssy n LEU 15 Ca -0.14 0.30 -0.27 0.00 -0.03 0.00 0.00 56.01 55.87 1ssy n LEU 15 Cb 0.52 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1ssy n LEU 15 CO 0.38 -0.17 -0.42 -0.54 -1.33 0.00 0.00 177.39 175.31 1ssy s LYS 16 N -3.35 2.05 0.22 3.23 -0.14 -1.26 -1.72 119.74 118.77 1ssy s LYS 16 Ca -0.00 -1.23 -0.32 0.00 -1.36 0.00 0.00 55.97 53.06 1ssy s LYS 16 Cb 0.10 -2.18 -0.13 0.00 -1.68 0.00 0.00 37.83 33.94 1ssy s LYS 16 CO 0.79 0.45 1.48 -0.89 -0.76 0.00 0.00 175.35 176.42 1ssy n ILE 17 N 0.19 0.63 -4.19 2.17 2.08 -0.95 -4.77 119.36 114.53 1ssy n ILE 17 Ca -0.11 -0.16 -0.13 0.00 0.56 0.00 0.00 62.75 62.91 1ssy n ILE 17 Cb 0.55 -1.55 -0.09 0.00 -0.75 0.00 0.00 39.64 37.80 1ssy n ILE 17 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 1ssy s TYR 18 N 0.28 1.17 -0.06 1.39 1.13 -0.37 -4.97 117.35 115.92 1ssy s TYR 18 Ca 0.71 -1.35 -0.04 0.00 -1.41 0.00 0.00 57.07 54.98 1ssy s TYR 18 Cb -0.64 -0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 39.69 1ssy s TYR 18 CO 0.45 -0.73 0.16 0.15 -2.51 0.00 0.00 175.55 173.07 1ssy s LYS 19 N -3.99 3.41 1.32 -3.49 1.02 -1.26 -0.38 119.74 116.37 1ssy s LYS 19 Ca 0.37 -0.25 -0.21 0.00 0.02 0.00 0.00 55.97 55.89 1ssy s LYS 19 Cb 0.05 -3.12 0.33 0.00 -0.52 0.00 0.00 37.83 34.58 1ssy s LYS 19 CO 0.14 0.72 1.03 0.34 -0.92 0.00 0.00 175.35 176.66 1ssy s ASP 20 N -1.54 -0.09 0.37 2.83 2.15 0.95 -4.81 116.67 116.53 1ssy s ASP 20 Ca 0.22 0.67 0.17 0.00 0.43 0.00 0.00 52.55 54.05 1ssy s ASP 20 Cb -0.12 -0.92 0.71 0.00 -0.30 0.00 0.00 42.92 42.28 1ssy s ASP 20 CO 0.12 -4.75 1.76 0.74 -0.17 0.00 0.00 175.17 172.87 1ssy h THR 21 N -3.01 0.99 -0.51 1.71 2.02 -1.99 -2.52 112.91 109.60 1ssy h THR 21 Ca -0.43 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.27 1ssy h THR 21 Cb 1.31 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1ssy h THR 21 CO 0.29 0.38 0.00 -0.62 0.37 0.00 0.00 175.52 175.94 1ssy n GLU 22 N -3.66 2.44 -0.41 6.66 1.02 -1.26 -4.95 120.64 120.48 1ssy n GLU 22 Ca -0.01 -2.21 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 1ssy n GLU 22 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1ssy n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ssy n GLY 23 N 1.49 0.80 3.74 0.62 0.00 -0.95 -5.06 105.19 105.84 1ssy n GLY 23 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1ssy n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ssy s TYR 24 N -2.86 3.67 0.11 1.61 2.02 -1.26 -4.45 117.35 116.18 1ssy s TYR 24 Ca 0.00 1.69 -0.31 0.00 -0.37 0.00 0.00 57.07 58.08 1ssy s TYR 24 Cb 0.00 -3.21 -0.09 0.00 -0.40 0.00 0.00 41.96 38.26 1ssy s TYR 24 CO 0.00 -0.36 1.60 0.71 -1.57 0.00 0.00 175.55 175.93 1ssy s TYR 25 N -0.56 2.72 0.05 2.71 2.02 -1.24 -0.04 117.35 123.01 1ssy s TYR 25 Ca 0.47 0.48 0.01 0.00 -0.37 0.00 0.00 57.07 57.65 1ssy s TYR 25 Cb -0.29 -3.93 -0.03 0.00 -0.40 0.00 0.00 41.96 37.30 1ssy s TYR 25 CO 0.35 -3.61 -0.05 0.99 -1.57 0.00 0.00 175.55 171.67 1ssy s THR 26 N 1.96 0.38 0.21 -0.71 2.01 0.49 -1.22 115.64 118.76 1ssy s THR 26 Ca 0.72 -1.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.10 1ssy s THR 26 Cb -0.41 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1ssy s THR 26 CO 0.32 -0.74 0.38 -0.51 -0.69 0.00 0.00 174.62 173.37 1ssy s ILE 27 N -2.83 0.03 0.00 1.82 2.07 -0.42 -1.23 121.20 120.64 1ssy s ILE 27 Ca -0.00 -1.41 0.00 0.00 -1.41 0.00 0.00 60.65 57.83 1ssy s ILE 27 Cb -0.00 -2.05 0.00 0.00 0.13 0.00 0.00 42.46 40.54 1ssy s ILE 27 CO -0.05 -0.12 0.00 0.00 -1.91 0.00 0.00 174.94 172.87 1ssy n ALA 28 N -0.31 0.00 -3.25 1.50 0.00 0.25 -0.45 120.51 118.24 1ssy n ALA 28 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.96 1ssy n ALA 28 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.08 1ssy n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ssy n ALA 29 N 11.99 4.51 -3.66 0.00 0.00 -1.26 -1.68 120.51 130.40 1ssy n ALA 29 Ca 0.00 -4.71 -0.24 0.00 0.00 0.00 0.00 53.44 48.49 1ssy n ALA 29 Cb 0.00 -2.38 0.06 0.00 0.00 0.00 0.00 19.45 17.13 1ssy n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ssy n ALA 30 N 2.23 -1.60 -2.59 0.00 0.00 -1.23 -4.94 120.51 112.38 1ssy n ALA 30 Ca 0.25 0.14 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 1ssy n ALA 30 Cb 0.37 -3.90 -0.07 0.00 0.00 0.00 0.00 19.45 15.85 1ssy n ALA 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ssy s HIS 31 N -3.39 3.09 0.04 0.00 5.04 0.40 -4.91 115.29 115.56 1ssy s HIS 31 Ca 0.37 -0.32 -0.31 0.00 -1.54 0.00 0.00 55.06 53.27 1ssy s HIS 31 Cb -0.17 -3.28 -0.07 0.00 0.04 0.00 0.00 32.58 29.10 1ssy s HIS 31 CO 0.77 -0.88 1.47 -1.17 -2.34 0.00 0.00 174.74 172.60 1ssy s LEU 32 N 2.56 4.34 -0.22 8.88 2.96 -1.26 -1.30 118.68 134.63 1ssy s LEU 32 Ca 0.17 2.26 -0.12 0.00 -0.22 0.00 0.00 54.13 56.22 1ssy s LEU 32 Cb -0.17 -3.57 -0.18 0.00 0.50 0.00 0.00 46.19 42.78 1ssy s LEU 32 CO 0.15 -0.76 -0.01 0.18 -1.32 0.00 0.00 176.35 174.59 1ssy n LEU 33 N 5.17 2.23 -3.52 -0.68 4.77 -0.36 -4.97 117.00 119.64 1ssy n LEU 33 Ca 0.14 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1ssy n LEU 33 Cb 0.42 -0.94 -0.05 0.00 -2.33 0.00 0.00 43.42 40.53 1ssy n LEU 33 CO 0.60 0.60 0.34 0.28 -1.33 0.00 0.00 177.39 177.88 1ssy s THR 34 N -2.47 0.02 -1.20 -5.08 -1.32 -1.24 -4.93 115.64 99.41 1ssy s THR 34 Ca -0.32 -0.13 0.24 0.00 -1.21 0.00 0.00 61.69 60.26 1ssy s THR 34 Cb 0.09 -0.99 -0.05 0.00 -1.51 0.00 0.00 72.50 70.05 1ssy s THR 34 CO 0.60 -0.07 1.22 0.29 -2.21 0.00 0.00 174.62 174.44 1ssy n LYS 35 N 0.31 0.23 -2.19 7.08 5.02 -1.26 -3.73 118.16 123.62 1ssy n LYS 35 Ca -0.18 -0.17 -0.36 0.00 -2.02 0.00 0.00 58.31 55.58 1ssy n LYS 35 Cb 0.61 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.13 1ssy n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ssy s SER 36 N -2.88 5.75 0.00 4.39 0.15 -1.26 -4.95 113.70 114.89 1ssy s SER 36 Ca 0.12 2.29 0.28 0.00 0.70 0.00 0.00 55.95 59.35 1ssy s SER 36 Cb 0.17 -2.59 1.02 0.00 -1.71 0.00 0.00 66.02 62.90 1ssy s SER 36 CO 0.72 -1.21 1.74 -0.81 1.20 0.00 0.00 173.24 174.89 1ssy n PRO 37 N -1.06 0.44 -2.46 5.44 -0.04 -1.26 -4.73 135.00 131.33 1ssy n PRO 37 Ca 0.10 -0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 62.97 1ssy n PRO 37 Cb 0.49 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1ssy n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ssy s SER 38 N -2.68 7.08 0.51 3.54 0.15 -1.26 -4.91 113.70 116.13 1ssy s SER 38 Ca 0.22 1.88 0.30 0.00 0.70 0.00 0.00 55.95 59.05 1ssy s SER 38 Cb 0.19 -2.57 1.04 0.00 -1.71 0.00 0.00 66.02 62.97 1ssy s SER 38 CO 0.54 -0.52 1.86 0.25 1.20 0.00 0.00 173.24 176.57 1ssy h LEU 39 N 7.58 0.00 -0.14 3.45 5.85 -2.00 -2.93 115.31 127.12 1ssy h LEU 39 Ca -0.37 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 1ssy h LEU 39 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1ssy h LEU 39 CO 0.85 0.01 -0.09 0.78 -0.34 0.00 0.00 178.44 179.65 1ssy h ASN 40 N 0.00 0.32 -0.90 1.25 2.35 -1.98 -1.94 115.58 114.67 1ssy h ASN 40 Ca -0.00 -0.44 0.09 0.00 -0.55 0.00 0.00 56.30 55.40 1ssy h ASN 40 Cb 0.67 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.89 1ssy h ASN 40 CO 0.00 0.69 0.58 0.00 -1.65 0.00 0.00 177.43 177.05 1ssy h ALA 41 N 0.64 1.59 -0.12 -0.83 0.00 -1.92 0.37 119.26 118.99 1ssy h ALA 41 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ssy h ALA 41 Cb 0.58 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ssy h ALA 41 CO 0.02 0.24 0.01 0.00 0.00 0.00 0.00 179.25 179.53 1ssy h ALA 42 N 1.54 0.16 -0.38 0.00 0.00 -1.40 -0.69 119.26 118.49 1ssy h ALA 42 Ca 0.41 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1ssy h ALA 42 Cb 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1ssy h ALA 42 CO -0.17 -0.17 -0.14 0.87 0.00 0.00 0.00 179.25 179.64 1ssy h LYS 43 N -0.04 0.69 0.02 0.00 1.57 -0.54 -2.12 116.57 116.16 1ssy h LYS 43 Ca 0.04 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1ssy h LYS 43 Cb 0.31 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1ssy h LYS 43 CO 0.00 0.80 -0.01 1.03 -0.57 0.00 0.00 179.45 180.71 1ssy h SER 44 N 0.63 -0.02 0.18 0.86 0.87 -0.18 -0.96 113.55 114.93 1ssy h SER 44 Ca 0.11 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1ssy h SER 44 Cb 0.59 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1ssy h SER 44 CO 0.04 0.11 -0.13 -0.08 -0.53 0.00 0.00 176.83 176.24 1ssy h GLU 45 N -0.15 0.00 -0.01 2.24 4.57 -1.02 -2.66 114.58 117.55 1ssy h GLU 45 Ca -0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1ssy h GLU 45 Cb 0.14 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1ssy h GLU 45 CO 0.00 0.13 -0.38 1.25 -1.18 0.00 0.00 179.01 178.83 1ssy h LEU 46 N 0.00 0.35 -0.73 1.64 5.85 -1.11 -3.14 115.31 118.17 1ssy h LEU 46 Ca -0.00 -0.75 0.14 0.00 0.84 0.00 0.00 57.88 58.10 1ssy h LEU 46 Cb 0.25 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 1ssy h LEU 46 CO 0.02 1.05 0.28 0.44 -0.34 0.00 0.00 178.44 179.89 1ssy h ASP 47 N -0.32 0.24 0.55 1.25 5.19 -0.85 0.10 116.42 122.58 1ssy h ASP 47 Ca -0.04 0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 1ssy h ASP 47 Cb 1.10 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 1ssy h ASP 47 CO 0.07 0.09 -0.11 0.11 -3.12 0.00 0.00 179.24 176.29 1ssy h LYS 48 N 0.42 0.00 0.10 3.56 1.57 -1.54 0.74 116.57 121.41 1ssy h LYS 48 Ca 0.40 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.85 1ssy h LYS 48 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1ssy h LYS 48 CO -0.40 0.11 -1.82 0.00 -0.57 0.00 0.00 179.45 176.76 1ssy h ALA 49 N 1.89 0.48 0.00 3.86 0.00 -0.86 -3.34 119.26 121.29 1ssy h ALA 49 Ca -0.00 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1ssy h ALA 49 Cb 0.41 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ssy h ALA 49 CO 0.01 1.34 -0.64 -0.89 0.00 0.00 0.00 179.25 179.08 1ssy n ILE 50 N -3.37 0.24 -3.40 0.00 2.08 0.08 -4.97 119.36 110.01 1ssy n ILE 50 Ca -0.25 -0.20 -0.17 0.00 0.56 0.00 0.00 62.75 62.69 1ssy n ILE 50 Cb 1.05 0.00 0.08 0.00 -0.75 0.00 0.00 39.64 40.02 1ssy n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ssy n GLY 51 N 1.38 -0.65 3.62 7.39 0.00 0.25 -4.99 105.19 112.20 1ssy n GLY 51 Ca 0.04 0.28 -0.03 0.00 0.00 0.00 0.00 46.02 46.30 1ssy n GLY 51 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ssy s ARG 52 N -5.10 0.16 -0.86 1.61 3.52 -0.88 -5.04 118.95 112.35 1ssy s ARG 52 Ca 0.17 -0.04 -0.25 0.00 -0.13 0.00 0.00 55.73 55.48 1ssy s ARG 52 Cb -0.03 0.08 0.04 0.00 -1.56 0.00 0.00 34.95 33.48 1ssy s ARG 52 CO 0.74 -0.07 1.37 -0.80 -0.81 0.00 0.00 175.30 175.74 1ssy s ASN 53 N -1.84 6.27 0.06 -2.12 -0.87 -1.26 -4.38 114.94 110.79 1ssy s ASN 53 Ca 0.10 -0.85 -0.02 0.00 -1.57 0.00 0.00 52.86 50.52 1ssy s ASN 53 Cb -0.01 -2.56 -0.27 0.00 -0.02 0.00 0.00 41.25 38.39 1ssy s ASN 53 CO -0.04 -1.73 1.07 0.71 -2.57 0.00 0.00 177.10 174.54 1ssy h THR 54 N 6.39 1.42 -1.08 1.60 1.35 -1.91 -3.48 112.91 117.20 1ssy h THR 54 Ca -0.07 -3.04 -0.26 0.00 -0.55 0.00 0.00 66.41 62.49 1ssy h THR 54 Cb 1.04 2.86 -0.07 0.00 -1.73 0.00 0.00 68.15 70.25 1ssy h THR 54 CO 1.34 0.87 -0.27 -3.20 -0.25 0.00 0.00 175.52 174.01 1ssy n ASN 55 N -3.46 -4.30 0.00 5.36 2.85 -1.26 -2.57 115.26 111.87 1ssy n ASN 55 Ca -0.10 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.56 1ssy n ASN 55 Cb 1.02 -3.14 0.00 0.00 1.24 0.00 0.00 39.78 38.89 1ssy n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ssy n GLY 56 N -1.27 1.10 3.20 8.20 0.00 -1.26 -5.04 105.19 110.13 1ssy n GLY 56 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1ssy n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ssy s VAL 57 N -2.62 1.51 0.29 1.61 -7.23 -1.06 -2.23 120.40 110.66 1ssy s VAL 57 Ca 0.00 -0.90 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 1ssy s VAL 57 Cb 0.00 -1.28 -0.06 0.00 0.56 0.00 0.00 36.38 35.61 1ssy s VAL 57 CO 0.00 0.35 0.06 0.27 -0.31 0.00 0.00 175.10 175.48 1ssy s ILE 58 N -0.54 0.95 0.52 -0.62 -4.36 -0.70 -4.73 121.20 111.71 1ssy s ILE 58 Ca 0.07 -2.01 -0.03 0.00 -0.26 0.00 0.00 60.65 58.43 1ssy s ILE 58 Cb -0.08 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 40.95 1ssy s ILE 58 CO -0.00 -0.04 0.78 0.42 0.24 0.00 0.00 174.94 176.33 1ssy s THR 59 N -3.47 3.83 0.52 8.37 -4.23 -1.26 -4.83 115.64 114.57 1ssy s THR 59 Ca 0.36 -0.26 0.17 0.00 -1.18 0.00 0.00 61.69 60.78 1ssy s THR 59 Cb 0.08 -3.46 0.27 0.00 1.34 0.00 0.00 72.50 70.73 1ssy s THR 59 CO 0.14 -0.39 2.14 0.50 -0.54 0.00 0.00 174.62 176.47 1ssy h LYS 60 N 0.13 0.00 0.00 3.99 3.64 -1.99 -0.31 116.57 122.04 1ssy h LYS 60 Ca -0.46 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.66 1ssy h LYS 60 Cb 1.25 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.10 1ssy h LYS 60 CO 0.59 0.02 -1.03 -0.44 -2.27 0.00 0.00 179.45 176.32 1ssy h ASP 61 N 0.00 0.90 0.07 4.20 3.32 -1.99 -1.94 116.42 120.98 1ssy h ASP 61 Ca -0.00 -0.74 -0.06 0.00 0.02 0.00 0.00 57.03 56.24 1ssy h ASP 61 Cb 0.03 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1ssy h ASP 61 CO 0.00 1.52 -0.20 -0.33 -1.72 0.00 0.00 179.24 178.52 1ssy h GLU 62 N 0.36 0.24 -0.26 3.56 5.08 -1.77 -0.23 114.58 121.56 1ssy h GLU 62 Ca -0.13 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 1ssy h GLU 62 Cb 1.69 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 1ssy h GLU 62 CO 0.20 0.44 -0.40 0.00 -1.00 0.00 0.00 179.01 178.25 1ssy h ALA 63 N 1.58 0.40 -0.01 3.43 0.00 -1.01 -2.52 119.26 121.14 1ssy h ALA 63 Ca 0.04 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1ssy h ALA 63 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ssy h ALA 63 CO 0.03 0.51 -0.28 0.93 0.00 0.00 0.00 179.25 180.44 1ssy h GLU 64 N 0.48 0.01 0.46 0.00 5.08 -0.99 -0.22 114.58 119.39 1ssy h GLU 64 Ca 0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1ssy h GLU 64 Cb 0.99 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1ssy h GLU 64 CO 0.09 0.29 -0.22 -0.22 -1.00 0.00 0.00 179.01 177.96 1ssy h LYS 65 N 0.01 -0.59 -0.81 2.33 3.64 -0.81 0.59 116.57 120.93 1ssy h LYS 65 Ca -0.00 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1ssy h LYS 65 Cb 0.51 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.40 1ssy h LYS 65 CO 0.04 -0.30 0.50 -0.07 -2.27 0.00 0.00 179.45 177.34 1ssy h LEU 66 N -0.84 0.78 0.26 5.20 3.38 -1.21 -1.74 115.31 121.13 1ssy h LEU 66 Ca -0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ssy h LEU 66 Cb 0.57 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ssy h LEU 66 CO 0.10 0.50 -0.20 0.15 0.09 0.00 0.00 178.44 179.08 1ssy h PHE 67 N 0.91 -0.53 -0.92 1.13 3.57 -0.93 0.01 116.94 120.18 1ssy h PHE 67 Ca 0.35 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.93 1ssy h PHE 67 Cb 0.16 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 1ssy h PHE 67 CO -0.04 -0.31 0.60 -0.91 -2.23 0.00 0.00 178.31 175.42 1ssy h ASN 68 N -0.47 0.91 -0.34 0.41 -0.26 -0.50 -0.52 115.58 114.81 1ssy h ASN 68 Ca -0.02 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1ssy h ASN 68 Cb 0.41 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 1ssy h ASN 68 CO -0.01 0.56 0.12 1.56 -1.06 0.00 0.00 177.43 178.61 1ssy h GLN 69 N 1.02 0.52 -0.48 0.81 4.20 -0.81 -2.52 115.11 117.84 1ssy h GLN 69 Ca 0.41 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.96 1ssy h GLN 69 Cb 0.26 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1ssy h GLN 69 CO -0.16 0.53 0.07 -0.44 -0.67 0.00 0.00 178.83 178.16 1ssy h ASP 70 N 0.40 0.71 -0.31 1.46 3.32 -0.04 -1.51 116.42 120.45 1ssy h ASP 70 Ca 0.11 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1ssy h ASP 70 Cb 0.21 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1ssy h ASP 70 CO -0.01 0.73 0.02 0.58 -1.72 0.00 0.00 179.24 178.85 1ssy h VAL 71 N 0.72 1.22 -0.52 -1.35 2.07 -0.93 -1.97 116.25 115.50 1ssy h VAL 71 Ca 0.15 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1ssy h VAL 71 Cb 0.34 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1ssy h VAL 71 CO 0.01 0.30 0.04 -0.78 0.02 0.00 0.00 177.57 177.15 1ssy h ASP 72 N 0.61 0.87 -0.12 0.57 3.58 -0.96 -2.85 116.42 118.12 1ssy h ASP 72 Ca 0.13 -0.29 -0.07 0.00 0.42 0.00 0.00 57.03 57.22 1ssy h ASP 72 Cb 0.36 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1ssy h ASP 72 CO 0.01 0.94 -0.11 0.00 -2.88 0.00 0.00 179.24 177.20 1ssy h ALA 73 N 0.96 1.30 -0.32 -0.78 0.00 -0.85 -2.52 119.26 117.05 1ssy h ALA 73 Ca 0.15 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1ssy h ALA 73 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ssy h ALA 73 CO 0.02 0.47 -0.28 0.00 0.00 0.00 0.00 179.25 179.46 1ssy h ALA 74 N 1.46 0.92 -0.13 0.00 0.00 -1.18 0.22 119.26 120.56 1ssy h ALA 74 Ca 0.08 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1ssy h ALA 74 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ssy h ALA 74 CO 0.03 0.62 -0.53 0.28 0.00 0.00 0.00 179.25 179.65 1ssy h VAL 75 N 0.56 1.34 -0.16 0.00 2.07 -1.27 -2.23 116.25 116.56 1ssy h VAL 75 Ca 0.07 -1.79 -0.16 0.00 0.82 0.00 0.00 66.70 65.64 1ssy h VAL 75 Cb 0.76 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1ssy h VAL 75 CO 0.06 0.54 -0.57 -0.09 0.02 0.00 0.00 177.57 177.53 1ssy h ARG 76 N 0.28 0.49 -0.46 1.57 2.43 -1.25 -1.55 114.38 115.90 1ssy h ARG 76 Ca 0.01 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 58.82 1ssy h ARG 76 Cb 1.02 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1ssy h ARG 76 CO 0.09 0.93 0.12 0.78 -1.51 0.00 0.00 179.97 180.38 1ssy h GLY 77 N 1.13 0.72 0.72 2.80 0.00 -0.70 -2.43 103.07 105.32 1ssy h GLY 77 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1ssy h GLY 77 CO 0.10 0.37 -0.24 -2.22 0.00 0.00 0.00 176.54 174.55 1ssy h ILE 78 N 0.66 1.38 0.00 2.60 2.04 -1.11 -3.15 117.51 119.93 1ssy h ILE 78 Ca 0.15 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1ssy h ILE 78 Cb 0.23 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1ssy h ILE 78 CO -0.01 0.45 0.00 0.18 0.00 0.00 0.00 178.15 178.77 1ssy n LEU 79 N -4.48 0.31 -0.60 1.44 4.77 -0.61 -2.62 117.00 115.22 1ssy n LEU 79 Ca -0.07 0.58 0.07 0.00 -0.03 0.00 0.00 56.01 56.56 1ssy n LEU 79 Cb 0.44 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1ssy n LEU 79 CO 0.41 -0.43 0.49 0.54 -1.33 0.00 0.00 177.39 177.07 1ssy n ARG 80 N -1.85 1.13 -3.64 3.23 1.74 -0.93 -4.88 116.66 111.46 1ssy n ARG 80 Ca 0.03 -1.42 -0.39 0.00 -0.77 0.00 0.00 57.85 55.30 1ssy n ARG 80 Cb 0.18 -1.28 -0.12 0.00 -1.02 0.00 0.00 32.46 30.22 1ssy n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1ssy s ASN 81 N -1.20 5.62 0.37 0.55 3.84 -1.08 -4.98 114.94 118.06 1ssy s ASN 81 Ca 0.18 -0.46 0.12 0.00 0.21 0.00 0.00 52.86 52.91 1ssy s ASN 81 Cb 0.12 -2.02 0.92 0.00 -0.55 0.00 0.00 41.25 39.73 1ssy s ASN 81 CO 0.18 -0.18 1.82 0.00 -2.79 0.00 0.00 177.10 176.14 1ssy h ALA 82 N 8.36 1.97 -0.07 1.71 0.00 -1.91 -0.90 119.26 128.42 1ssy h ALA 82 Ca -0.33 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 1ssy h ALA 82 Cb 1.15 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ssy h ALA 82 CO 0.61 -0.28 -0.81 0.87 0.00 0.00 0.00 179.25 179.64 1ssy h LYS 83 N 0.58 0.67 0.20 0.00 1.57 -1.93 -3.38 116.57 114.27 1ssy h LYS 83 Ca 0.51 -0.63 -0.32 0.00 -1.87 0.00 0.00 60.65 58.34 1ssy h LYS 83 Cb 1.03 0.16 0.02 0.00 0.08 0.00 0.00 32.23 33.52 1ssy h LYS 83 CO -0.26 1.23 -1.50 -0.07 -0.57 0.00 0.00 179.45 178.28 1ssy h LEU 84 N 0.34 0.65 -0.17 2.94 3.38 -1.66 -3.39 115.31 117.40 1ssy h LEU 84 Ca -0.08 -0.77 0.05 0.00 0.09 0.00 0.00 57.88 57.17 1ssy h LEU 84 Cb 1.46 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 1ssy h LEU 84 CO 0.16 1.62 -0.24 0.50 0.09 0.00 0.00 178.44 180.57 1ssy h LYS 85 N 0.11 -0.27 -0.88 1.13 3.64 -0.99 -0.36 116.57 118.95 1ssy h LYS 85 Ca -0.25 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.31 1ssy h LYS 85 Cb 2.10 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.91 1ssy h LYS 85 CO 0.23 -0.18 0.57 -1.00 -2.27 0.00 0.00 179.45 176.79 1ssy h PRO 86 N -0.28 0.58 0.18 1.90 0.13 -1.75 -0.21 132.00 132.55 1ssy h PRO 86 Ca 0.11 -0.04 -0.30 0.00 -0.87 0.00 0.00 66.00 64.91 1ssy h PRO 86 Cb 0.45 -0.13 0.02 0.00 0.13 0.00 0.00 31.00 31.47 1ssy h PRO 86 CO -0.33 0.39 -1.34 -0.24 -0.23 0.00 0.00 178.00 176.24 1ssy h VAL 87 N 0.60 1.41 -0.85 1.56 3.04 -1.64 -3.23 116.25 117.14 1ssy h VAL 87 Ca 0.45 -2.92 0.04 0.00 -1.01 0.00 0.00 66.70 63.27 1ssy h VAL 87 Cb 0.84 2.99 -0.05 0.00 -2.01 0.00 0.00 31.29 33.05 1ssy h VAL 87 CO -0.20 0.86 0.54 0.22 -1.01 0.00 0.00 177.57 177.98 1ssy h TYR 88 N 0.11 1.00 0.00 3.17 3.20 -0.14 -2.12 116.97 122.18 1ssy h TYR 88 Ca -0.18 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 1ssy h TYR 88 Cb 2.06 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 40.00 1ssy h TYR 88 CO 0.09 0.55 -0.03 -0.44 -1.64 0.00 0.00 178.16 176.69 1ssy h ASP 89 N 1.02 0.00 0.76 -2.11 3.32 -1.12 -2.90 116.42 115.39 1ssy h ASP 89 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1ssy h ASP 89 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1ssy h ASP 89 CO -0.14 0.03 -0.84 -1.54 -1.72 0.00 0.00 179.24 175.04 1ssy n SER 90 N -3.16 0.70 -4.82 6.45 3.41 -0.82 -4.95 113.62 110.42 1ssy n SER 90 Ca -0.00 0.07 -0.33 0.00 -0.26 0.00 0.00 58.87 58.35 1ssy n SER 90 Cb 0.27 0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.58 1ssy n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ssy s LEU 91 N -4.40 3.95 0.00 1.04 1.43 -1.09 -5.08 118.68 114.53 1ssy s LEU 91 Ca 0.04 1.64 -0.19 0.00 -1.03 0.00 0.00 54.13 54.58 1ssy s LEU 91 Cb 0.13 -4.48 0.28 0.00 0.03 0.00 0.00 46.19 42.14 1ssy s LEU 91 CO 0.76 -0.34 1.20 -0.90 0.23 0.00 0.00 176.35 177.30 1ssy n ASP 92 N -0.62 -1.24 -0.00 2.29 5.75 -1.26 -4.78 116.55 116.68 1ssy n ASP 92 Ca 0.07 -1.30 -0.11 0.00 -0.01 0.00 0.00 54.79 53.43 1ssy n ASP 92 Cb 0.54 -1.02 -0.06 0.00 -1.03 0.00 0.00 41.12 39.55 1ssy n ASP 92 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ssy h ALA 93 N -2.38 0.11 -0.58 2.12 0.00 -1.98 -2.25 119.26 114.31 1ssy h ALA 93 Ca -0.42 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1ssy h ALA 93 Cb 1.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1ssy h ALA 93 CO 0.29 -0.36 0.10 0.28 0.00 0.00 0.00 179.25 179.56 1ssy h VAL 94 N 0.07 1.26 0.00 0.00 2.07 -1.94 -3.04 116.25 114.67 1ssy h VAL 94 Ca 0.03 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1ssy h VAL 94 Cb 0.05 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1ssy h VAL 94 CO -0.01 0.35 -0.02 0.03 0.02 0.00 0.00 177.57 177.94 1ssy h ARG 95 N 0.86 0.00 -0.04 1.57 3.08 -1.84 -2.60 114.38 115.40 1ssy h ARG 95 Ca 0.18 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.08 1ssy h ARG 95 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1ssy h ARG 95 CO 0.01 0.02 -0.63 0.00 -1.07 0.00 0.00 179.97 178.30 1ssy h ARG 96 N 0.00 0.16 -0.63 0.04 3.08 -1.29 -2.45 114.38 113.28 1ssy h ARG 96 Ca -0.00 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1ssy h ARG 96 Cb 0.75 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 1ssy h ARG 96 CO 0.00 0.74 0.10 0.00 -1.07 0.00 0.00 179.97 179.74 1ssy h ALA 97 N 1.23 0.97 -0.78 0.04 0.00 -1.38 -1.03 119.26 118.30 1ssy h ALA 97 Ca -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1ssy h ALA 97 Cb 1.14 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1ssy h ALA 97 CO 0.09 0.65 0.35 0.00 0.00 0.00 0.00 179.25 180.34 1ssy h ALA 98 N 1.12 1.01 -0.07 0.00 0.00 -1.32 -0.52 119.26 119.49 1ssy h ALA 98 Ca 0.19 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1ssy h ALA 98 Cb 0.43 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ssy h ALA 98 CO 0.01 0.60 -0.59 1.25 0.00 0.00 0.00 179.25 180.53 1ssy h LEU 99 N 1.12 0.24 -0.74 0.00 5.85 -1.01 -2.23 115.31 118.53 1ssy h LEU 99 Ca 0.27 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 1ssy h LEU 99 Cb 0.16 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1ssy h LEU 99 CO -0.03 0.77 -0.30 0.40 -0.34 0.00 0.00 178.44 178.94 1ssy h ILE 100 N 0.16 1.28 -0.19 4.05 2.04 -0.87 -2.28 117.51 121.70 1ssy h ILE 100 Ca -0.00 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 1ssy h ILE 100 Cb 1.08 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1ssy h ILE 100 CO 0.09 0.45 0.08 -1.13 0.00 0.00 0.00 178.15 177.64 1ssy h ASN 101 N 0.53 0.26 -0.49 1.72 -0.73 -0.81 0.13 115.58 116.20 1ssy h ASN 101 Ca 0.06 -0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.07 1ssy h ASN 101 Cb 0.79 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.28 1ssy h ASN 101 CO 0.06 0.35 0.26 0.24 -0.37 0.00 0.00 177.43 177.98 1ssy h MET 102 N 0.16 0.69 -0.19 6.67 2.86 -1.29 -1.90 114.93 121.95 1ssy h MET 102 Ca 0.06 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1ssy h MET 102 Cb 0.16 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1ssy h MET 102 CO -0.01 0.55 -0.18 0.28 1.06 0.00 0.00 176.91 178.61 1ssy h VAL 103 N 0.66 1.22 -0.59 -2.22 2.07 -1.24 -1.30 116.25 114.84 1ssy h VAL 103 Ca 0.17 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 1ssy h VAL 103 Cb 0.06 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1ssy h VAL 103 CO -0.03 0.31 0.13 0.15 0.02 0.00 0.00 177.57 178.16 1ssy h PHE 104 N 0.30 1.01 0.18 1.57 3.57 -0.26 0.43 116.94 123.73 1ssy h PHE 104 Ca 0.05 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1ssy h PHE 104 Cb 0.50 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1ssy h PHE 104 CO 0.01 0.86 -0.09 0.37 -2.23 0.00 0.00 178.31 177.23 1ssy h GLN 105 N 0.87 -0.24 -0.20 1.11 4.15 -0.87 -3.39 115.11 116.54 1ssy h GLN 105 Ca 0.18 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1ssy h GLN 105 Cb 0.37 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1ssy h GLN 105 CO 0.00 0.17 0.00 0.00 -1.93 0.00 0.00 178.83 177.08 1ssy n MET 106 N -4.96 2.70 -0.59 1.69 0.00 -0.54 -5.11 117.12 110.32 1ssy n MET 106 Ca -0.08 -2.19 0.07 0.00 0.00 0.00 0.00 57.70 55.50 1ssy n MET 106 Cb 0.26 -1.38 -0.04 0.00 0.00 0.00 0.00 33.22 32.06 1ssy n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ssy n GLY 107 N -0.23 -2.95 0.15 3.17 0.00 0.14 -3.63 105.19 101.85 1ssy n GLY 107 Ca 0.12 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 1ssy n GLY 107 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ssy h GLU 108 N -0.58 0.36 -0.46 1.61 4.11 -1.92 -2.28 114.58 115.42 1ssy h GLU 108 Ca -0.08 -0.02 0.08 0.00 0.07 0.00 0.00 59.36 59.40 1ssy h GLU 108 Cb 0.57 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1ssy h GLU 108 CO 0.03 0.24 0.08 1.15 0.07 0.00 0.00 179.01 180.58 1ssy h THR 109 N 0.37 0.74 -0.24 -1.06 2.02 -1.97 0.26 112.91 113.03 1ssy h THR 109 Ca 0.14 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.27 1ssy h THR 109 Cb 0.03 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1ssy h THR 109 CO -0.08 0.04 0.10 1.23 0.37 0.00 0.00 175.52 177.18 1ssy h GLY 110 N 0.21 0.31 2.00 2.16 0.00 -1.57 -2.77 103.07 103.41 1ssy h GLY 110 Ca 0.23 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.39 1ssy h GLY 110 CO -0.30 0.05 -0.43 -2.08 0.00 0.00 0.00 176.54 173.78 1ssy h VAL 111 N 0.23 1.22 0.00 4.60 2.07 -0.79 -2.44 116.25 121.15 1ssy h VAL 111 Ca 0.10 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1ssy h VAL 111 Cb 0.05 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1ssy h VAL 111 CO -0.09 0.42 0.00 0.00 0.02 0.00 0.00 177.57 177.93 1ssy n ALA 112 N -2.42 1.73 0.87 1.67 0.00 0.83 -2.36 120.51 120.84 1ssy n ALA 112 Ca -0.01 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1ssy n ALA 112 Cb 0.47 -1.31 0.46 0.00 0.00 0.00 0.00 19.45 19.08 1ssy n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ssy n GLY 113 N 0.16 -1.50 2.37 0.00 0.00 -0.92 -4.02 105.19 101.27 1ssy n GLY 113 Ca 0.03 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1ssy n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ssy n PHE 114 N -1.73 1.81 -0.30 1.61 3.01 -1.00 -4.76 117.46 116.11 1ssy n PHE 114 Ca 0.06 -2.38 -0.01 0.00 1.01 0.00 0.00 57.45 56.13 1ssy n PHE 114 Cb 0.37 -1.79 0.05 0.00 -0.01 0.00 0.00 39.48 38.11 1ssy n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ssy h THR 115 N 2.39 0.10 -0.29 4.37 2.02 -1.84 -0.86 112.91 118.81 1ssy h THR 115 Ca 0.56 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.58 1ssy h THR 115 Cb 0.63 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1ssy h THR 115 CO 1.14 0.00 -0.44 0.78 0.37 0.00 0.00 175.52 177.37 1ssy h ASN 116 N -0.05 0.79 -0.64 4.18 4.21 -1.95 -2.83 115.58 119.28 1ssy h ASN 116 Ca 0.33 -0.38 -0.09 0.00 1.21 0.00 0.00 56.30 57.38 1ssy h ASN 116 Cb 0.59 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.55 1ssy h ASN 116 CO -0.85 1.12 0.06 0.28 -1.29 0.00 0.00 177.43 176.74 1ssy h SER 117 N 0.59 1.06 -0.58 5.81 0.02 -1.73 -2.26 113.55 116.47 1ssy h SER 117 Ca 0.04 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1ssy h SER 117 Cb 1.00 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 1ssy h SER 117 CO 0.09 1.07 0.37 -0.07 -1.14 0.00 0.00 176.83 177.16 1ssy h LEU 118 N 1.02 0.67 -0.66 5.07 3.38 -1.13 -1.12 115.31 122.53 1ssy h LEU 118 Ca 0.19 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ssy h LEU 118 Cb 0.49 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1ssy h LEU 118 CO 0.02 0.50 0.41 0.03 0.09 0.00 0.00 178.44 179.49 1ssy h ARG 119 N 0.78 0.89 -0.95 1.13 3.08 -1.33 -0.85 114.38 117.13 1ssy h ARG 119 Ca 0.21 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.21 1ssy h ARG 119 Cb -0.07 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 29.74 1ssy h ARG 119 CO -0.04 0.63 0.63 0.52 -1.07 0.00 0.00 179.97 180.63 1ssy h MET 120 N 0.90 1.21 -0.56 0.04 2.86 -0.87 -2.33 114.93 116.17 1ssy h MET 120 Ca 0.24 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 1ssy h MET 120 Cb -0.04 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.33 1ssy h MET 120 CO -0.05 0.80 -0.06 -0.07 1.06 0.00 0.00 176.91 178.60 1ssy h LEU 121 N 1.25 1.02 -1.59 1.22 3.38 -0.56 -0.65 115.31 119.37 1ssy h LEU 121 Ca 0.36 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ssy h LEU 121 Cb -0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.39 1ssy h LEU 121 CO -0.10 1.10 -0.05 -0.61 0.09 0.00 0.00 178.44 178.88 1ssy h GLN 122 N 0.93 0.00 -0.46 1.13 4.15 -0.78 -2.69 115.11 117.38 1ssy h GLN 122 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1ssy h GLN 122 Cb 0.62 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1ssy h GLN 122 CO 0.04 0.05 0.00 1.04 -1.93 0.00 0.00 178.83 178.03 1ssy n GLN 123 N -3.18 2.56 -1.54 1.69 6.02 -0.91 -4.95 117.38 117.06 1ssy n GLN 123 Ca -0.00 -2.38 -0.15 0.00 -0.01 0.00 0.00 57.00 54.46 1ssy n GLN 123 Cb 0.30 -1.52 -0.06 0.00 1.02 0.00 0.00 30.24 29.97 1ssy n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ssy n LYS 124 N 1.53 -1.07 -2.74 -1.09 4.01 -1.01 -4.91 118.16 112.88 1ssy n LYS 124 Ca 0.20 0.99 -0.43 0.00 -0.51 0.00 0.00 58.31 58.57 1ssy n LYS 124 Cb 0.61 -5.16 0.00 0.00 -0.51 0.00 0.00 35.03 29.98 1ssy n LYS 124 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1ssy n ARG 125 N -2.55 3.82 0.13 1.97 1.74 -0.27 -4.86 116.66 116.63 1ssy n ARG 125 Ca -0.15 -3.98 -0.13 0.00 -0.77 0.00 0.00 57.85 52.82 1ssy n ARG 125 Cb 0.51 -2.79 -0.06 0.00 -1.02 0.00 0.00 32.46 29.10 1ssy n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1ssy h TRP 126 N 6.00 -0.79 -0.43 -1.55 -0.00 -1.91 -2.43 115.95 114.84 1ssy h TRP 126 Ca 0.30 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 59.18 1ssy h TRP 126 Cb 0.69 0.33 -0.02 0.00 -0.00 0.00 0.00 29.16 30.16 1ssy h TRP 126 CO 1.10 -0.40 0.16 -0.44 -0.00 0.00 0.00 178.44 178.86 1ssy h ASP 127 N -0.53 0.55 0.10 -3.49 5.19 -1.89 0.94 116.42 117.29 1ssy h ASP 127 Ca 0.02 -0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.26 1ssy h ASP 127 Cb 0.54 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1ssy h ASP 127 CO -0.14 0.51 -0.38 -0.33 -3.12 0.00 0.00 179.24 175.77 1ssy h GLU 128 N 0.60 0.37 -0.06 3.56 3.07 -1.94 -1.59 114.58 118.60 1ssy h GLU 128 Ca 0.15 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1ssy h GLU 128 Cb 0.13 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1ssy h GLU 128 CO -0.01 0.70 0.01 0.00 -1.40 0.00 0.00 179.01 178.30 1ssy h ALA 129 N 1.29 0.09 -0.98 3.43 0.00 -0.70 -1.67 119.26 120.71 1ssy h ALA 129 Ca 0.03 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 54.95 1ssy h ALA 129 Cb 0.81 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 1ssy h ALA 129 CO 0.06 -0.27 0.61 0.00 0.00 0.00 0.00 179.25 179.66 1ssy h ALA 130 N 0.77 1.67 -0.26 0.00 0.00 -0.52 0.15 119.26 121.06 1ssy h ALA 130 Ca 0.02 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1ssy h ALA 130 Cb 0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ssy h ALA 130 CO 0.00 0.04 -0.29 0.28 0.00 0.00 0.00 179.25 179.29 1ssy h VAL 131 N 0.84 1.31 -0.02 0.00 2.07 -1.07 -1.29 116.25 118.09 1ssy h VAL 131 Ca 0.52 -1.47 -0.15 0.00 0.82 0.00 0.00 66.70 66.42 1ssy h VAL 131 Cb 0.70 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1ssy h VAL 131 CO -0.29 0.46 -0.66 -1.13 0.02 0.00 0.00 177.57 175.97 1ssy h ASN 132 N 0.37 0.10 0.32 0.57 -0.73 -0.55 -3.09 115.58 112.57 1ssy h ASN 132 Ca 0.04 -0.06 -0.20 0.00 1.87 0.00 0.00 56.30 57.95 1ssy h ASN 132 Cb 0.86 -0.03 -0.00 0.00 0.27 0.00 0.00 38.32 39.42 1ssy h ASN 132 CO 0.07 0.73 -0.81 -0.07 -0.37 0.00 0.00 177.43 176.98 1ssy h LEU 133 N 0.06 0.48 -0.15 0.34 3.38 -0.72 -3.09 115.31 115.61 1ssy h LEU 133 Ca -0.01 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1ssy h LEU 133 Cb 1.18 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ssy h LEU 133 CO 0.09 1.11 0.00 0.00 0.09 0.00 0.00 178.44 179.73 1ssy n ALA 134 N -2.52 1.67 -2.50 1.53 0.00 -0.49 -3.05 120.51 115.16 1ssy n ALA 134 Ca -0.05 -0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 1ssy n ALA 134 Cb 0.76 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.94 1ssy n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ssy n LYS 135 N -1.66 3.76 -4.34 0.00 5.02 -1.17 -4.80 118.16 114.97 1ssy n LYS 135 Ca 0.03 -4.40 -0.17 0.00 -2.02 0.00 0.00 58.31 51.75 1ssy n LYS 135 Cb 0.19 -2.31 -0.10 0.00 -0.02 0.00 0.00 35.03 32.78 1ssy n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ssy s SER 136 N -2.33 1.97 0.33 4.39 1.04 -1.17 -5.01 113.70 112.92 1ssy s SER 136 Ca 0.47 -1.19 0.06 0.00 0.48 0.00 0.00 55.95 55.77 1ssy s SER 136 Cb 0.32 -0.02 0.57 0.00 0.10 0.00 0.00 66.02 67.00 1ssy s SER 136 CO -0.22 -0.47 1.80 -0.09 0.98 0.00 0.00 173.24 175.25 1ssy h ARG 137 N 2.47 0.35 -0.32 4.02 2.43 -1.94 -2.95 114.38 118.44 1ssy h ARG 137 Ca -0.38 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 58.71 1ssy h ARG 137 Cb 1.22 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 1ssy h ARG 137 CO 0.65 0.55 0.09 2.35 -1.51 0.00 0.00 179.97 182.10 1ssy h TRP 138 N 0.32 0.16 -0.41 2.20 7.01 -1.96 -0.51 115.95 122.76 1ssy h TRP 138 Ca 0.05 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 1ssy h TRP 138 Cb 0.55 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.57 1ssy h TRP 138 CO 0.01 0.06 0.09 -0.92 -2.79 0.00 0.00 178.44 174.90 1ssy h TYR 139 N 0.22 0.70 -0.53 2.65 5.03 -1.77 -1.67 116.97 121.60 1ssy h TYR 139 Ca 0.14 -0.09 -0.00 0.00 2.58 0.00 0.00 58.73 61.37 1ssy h TYR 139 Cb 0.13 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.19 1ssy h TYR 139 CO -0.15 0.67 0.33 -0.91 -1.32 0.00 0.00 178.16 176.77 1ssy h ASN 140 N 0.53 0.62 0.15 -2.11 2.35 -1.32 -0.17 115.58 115.63 1ssy h ASN 140 Ca 0.13 -0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 55.63 1ssy h ASN 140 Cb 0.33 -0.16 0.02 0.00 0.05 0.00 0.00 38.32 38.56 1ssy h ASN 140 CO 0.00 0.47 -1.04 -0.61 -1.65 0.00 0.00 177.43 174.60 1ssy h GLN 141 N 0.73 0.32 -2.24 0.81 4.15 -0.94 -3.40 115.11 114.54 1ssy h GLN 141 Ca 0.19 -0.54 -0.59 0.00 0.77 0.00 0.00 58.65 58.48 1ssy h GLN 141 Cb -0.04 0.20 -0.41 0.00 0.21 0.00 0.00 27.48 27.44 1ssy h GLN 141 CO -0.04 1.26 -0.78 0.25 -1.93 0.00 0.00 178.83 177.59 1ssy n THR 142 N -4.03 1.05 -0.17 2.39 -2.24 -0.64 -4.97 114.28 105.68 1ssy n THR 142 Ca -0.17 -4.67 -0.01 0.00 -2.27 0.00 0.00 64.05 56.93 1ssy n THR 142 Cb 0.88 -2.03 0.23 0.00 -2.10 0.00 0.00 70.33 67.30 1ssy n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ssy h PRO 143 N 4.35 0.90 0.05 -0.78 0.13 -1.23 -0.85 132.00 134.57 1ssy h PRO 143 Ca 0.16 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1ssy h PRO 143 Cb 0.76 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1ssy h PRO 143 CO 0.67 0.68 -0.02 -0.91 -0.23 0.00 0.00 178.00 178.19 1ssy h ASN 144 N 0.90 -0.06 -0.02 1.44 -0.26 -1.93 -0.48 115.58 115.17 1ssy h ASN 144 Ca 0.22 -0.32 -0.00 0.00 -0.56 0.00 0.00 56.30 55.65 1ssy h ASN 144 Cb 0.07 0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1ssy h ASN 144 CO -0.03 0.29 0.01 -0.09 -1.06 0.00 0.00 177.43 176.55 1ssy h ARG 145 N -0.41 0.03 -0.12 0.81 1.12 -1.96 -2.90 114.38 110.95 1ssy h ARG 145 Ca -0.01 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1ssy h ARG 145 Cb 0.37 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.32 1ssy h ARG 145 CO 0.01 0.20 0.04 0.00 -3.11 0.00 0.00 179.97 177.11 1ssy h ALA 146 N 0.83 1.85 -0.27 2.80 0.00 -1.18 -0.86 119.26 122.44 1ssy h ALA 146 Ca 0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1ssy h ALA 146 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ssy h ALA 146 CO -0.00 0.12 -0.32 -0.22 0.00 0.00 0.00 179.25 178.83 1ssy h LYS 147 N 0.16 0.56 -0.28 0.00 3.64 -0.91 -0.74 116.57 119.01 1ssy h LYS 147 Ca 0.04 -0.25 -0.12 0.00 -1.27 0.00 0.00 60.65 59.05 1ssy h LYS 147 Cb 0.05 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1ssy h LYS 147 CO -0.00 0.82 -0.30 0.00 -2.27 0.00 0.00 179.45 177.69 1ssy h ARG 148 N 0.48 0.70 -0.37 1.90 3.08 -1.00 -0.48 114.38 118.69 1ssy h ARG 148 Ca 0.06 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 1ssy h ARG 148 Cb 0.79 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1ssy h ARG 148 CO 0.06 0.99 0.08 0.28 -1.07 0.00 0.00 179.97 180.31 1ssy h VAL 149 N 0.44 1.23 -0.54 2.04 2.07 -1.20 -1.91 116.25 118.38 1ssy h VAL 149 Ca 0.04 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1ssy h VAL 149 Cb 0.87 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1ssy h VAL 149 CO 0.07 0.28 0.21 0.40 0.02 0.00 0.00 177.57 178.55 1ssy h ILE 150 N 0.46 1.22 0.00 4.57 2.04 -1.10 -1.52 117.51 123.18 1ssy h ILE 150 Ca 0.12 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1ssy h ILE 150 Cb 0.33 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1ssy h ILE 150 CO 0.00 0.26 -0.09 0.74 0.00 0.00 0.00 178.15 179.07 1ssy h THR 151 N 0.74 0.87 -0.00 -0.27 2.02 -0.95 0.51 112.91 115.84 1ssy h THR 151 Ca 0.18 -0.32 -0.25 0.00 0.77 0.00 0.00 66.41 66.79 1ssy h THR 151 Cb 0.20 1.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1ssy h THR 151 CO -0.01 0.09 -1.00 0.74 0.37 0.00 0.00 175.52 175.70 1ssy h THR 152 N 0.00 1.33 -0.43 3.16 2.02 -0.51 -1.17 112.91 117.31 1ssy h THR 152 Ca -0.00 -2.33 -0.05 0.00 0.77 0.00 0.00 66.41 64.81 1ssy h THR 152 Cb 0.18 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1ssy h THR 152 CO 0.01 0.71 0.09 -0.26 0.37 0.00 0.00 175.52 176.44 1ssy h PHE 153 N 0.33 0.74 -0.24 3.16 0.04 -0.64 0.46 116.94 120.79 1ssy h PHE 153 Ca -0.11 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.48 1ssy h PHE 153 Cb 1.65 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 39.58 1ssy h PHE 153 CO 0.09 0.70 -0.23 -0.09 -0.60 0.00 0.00 178.31 178.17 1ssy h ARG 154 N 0.56 0.44 0.00 1.51 2.43 -0.89 -3.36 114.38 115.08 1ssy h ARG 154 Ca 0.13 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1ssy h ARG 154 Cb 0.34 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1ssy h ARG 154 CO 0.00 0.65 -1.59 0.25 -1.51 0.00 0.00 179.97 177.77 1ssy n THR 155 N -4.14 0.27 -1.04 0.20 -2.24 -0.45 -4.88 114.28 102.00 1ssy n THR 155 Ca -0.00 -0.33 -0.02 0.00 -2.27 0.00 0.00 64.05 61.43 1ssy n THR 155 Cb 0.38 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.49 1ssy n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ssy n GLY 156 N 2.04 0.48 3.61 3.38 0.00 0.15 -5.00 105.19 109.85 1ssy n GLY 156 Ca -0.08 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 1ssy n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ssy s THR 157 N -1.84 1.80 -1.68 2.61 -4.23 -1.26 -4.79 115.64 106.25 1ssy s THR 157 Ca 0.00 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.70 1ssy s THR 157 Cb 0.00 -2.88 0.62 0.00 1.34 0.00 0.00 72.50 71.58 1ssy s THR 157 CO 0.00 0.00 1.52 0.79 -0.54 0.00 0.00 174.62 176.39 1ssy n TRP 158 N -0.97 1.09 -0.34 3.99 7.02 -1.26 -4.64 117.44 122.33 1ssy n TRP 158 Ca -0.06 -0.49 0.20 0.00 -1.02 0.00 0.00 57.50 56.13 1ssy n TRP 158 Cb 0.67 -0.09 0.44 0.00 -2.42 0.00 0.00 31.31 29.90 1ssy n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1ssy h ASP 159 N 3.87 0.59 0.23 -0.99 3.32 -1.96 0.99 116.42 122.47 1ssy h ASP 159 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1ssy h ASP 159 Cb 1.08 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1ssy h ASP 159 CO 0.09 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 1ssy n ALA 160 N -2.35 1.28 0.10 3.45 0.00 -1.26 -2.76 120.51 118.96 1ssy n ALA 160 Ca 0.28 0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.79 1ssy n ALA 160 Cb 0.84 -1.18 0.05 0.00 0.00 0.00 0.00 19.45 19.16 1ssy n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ssy n TYR 161 N -1.76 0.11 0.14 0.00 4.02 0.34 -4.83 117.16 115.19 1ssy n TYR 161 Ca 0.01 -0.22 -0.13 0.00 -0.01 0.00 0.00 57.90 57.55 1ssy n TYR 161 Cb 0.08 -0.02 -0.08 0.00 -0.02 0.00 0.00 39.34 39.31 1ssy n TYR 161 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1ssy h LYS 162 N 1.16 -0.37 0.00 -0.72 1.57 -1.53 -3.24 116.57 113.43 1ssy h LYS 162 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ssy h LYS 162 Cb 0.42 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1ssy h LYS 162 CO 0.00 -0.04 0.00 0.27 -0.57 0.00 0.00 179.45 179.11 1ssy n ASN 163 N -5.10 0.00 -0.52 0.86 6.94 -1.26 -5.18 115.26 111.01 1ssy n ASN 163 Ca -0.09 0.33 0.06 0.00 -0.02 0.00 0.00 54.58 54.87 1ssy n ASN 163 Cb 0.26 -0.34 0.05 0.00 -2.36 0.00 0.00 39.78 37.40 1ssy n ASN 163 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41