#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lpy h ILE 3 N 0.00 0.76 -0.03 1.53 6.09 -1.95 -1.93 117.51 121.98 1lpy h ILE 3 Ca 0.00 -0.21 -0.00 0.00 -1.37 0.00 0.00 64.86 63.28 1lpy h ILE 3 Cb 0.00 0.10 -0.00 0.00 0.47 0.00 0.00 36.82 37.39 1lpy h ILE 3 CO 0.00 0.11 -0.00 -0.26 -3.07 0.00 0.00 178.15 174.93 1lpy h PHE 4 N 0.60 0.05 0.00 2.19 -1.00 -2.02 -0.46 116.94 116.31 1lpy h PHE 4 Ca 0.48 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.24 1lpy h PHE 4 Cb 0.90 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.45 1lpy h PHE 4 CO -0.00 0.38 0.00 0.39 -1.61 0.00 0.00 178.31 177.46 1lpy n GLU 5 N -4.89 0.21 0.00 1.51 1.02 -0.73 -1.34 120.64 116.41 1lpy n GLU 5 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1lpy n GLU 5 Cb 0.19 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1lpy n GLU 5 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1lpy n LEU 7 N 0.67 0.00 -0.05 -4.62 4.77 -0.18 -1.08 117.00 116.50 1lpy n LEU 7 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1lpy n LEU 7 Cb 0.08 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1lpy n LEU 7 CO 0.00 0.00 0.41 -0.09 -1.33 0.00 0.00 177.39 176.38 1lpy h ARG 8 N 0.00 0.79 0.10 3.23 9.65 -1.45 0.25 114.38 126.95 1lpy h ARG 8 Ca 0.00 -0.53 -0.00 0.00 -1.10 0.00 0.00 59.98 58.35 1lpy h ARG 8 Cb 0.00 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1lpy h ARG 8 CO 0.00 1.15 -0.05 0.82 2.80 0.00 0.00 179.97 184.70 1lpy h ILE 9 N 0.59 1.09 0.00 1.20 2.04 -1.35 -1.70 117.51 119.38 1lpy h ILE 9 Ca -0.00 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 1lpy h ILE 9 Cb 1.20 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1lpy h ILE 9 CO 0.13 0.19 -0.29 0.44 0.00 0.00 0.00 178.15 178.61 1lpy h ASP 10 N -0.50 0.00 0.00 1.72 3.32 -1.80 -3.32 116.42 115.85 1lpy h ASP 10 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1lpy h ASP 10 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1lpy h ASP 10 CO 0.02 0.29 -1.95 -0.62 -1.72 0.00 0.00 179.24 175.26 1lpy n GLU 11 N -4.07 0.63 -0.34 3.56 -0.58 0.86 -5.07 120.64 115.63 1lpy n GLU 11 Ca -0.02 -0.19 0.05 0.00 -0.42 0.00 0.00 57.16 56.58 1lpy n GLU 11 Cb 0.35 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.70 1lpy n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lpy n GLY 12 N 1.30 -1.96 2.70 0.62 0.00 -0.64 -4.15 105.19 103.06 1lpy n GLY 12 Ca -0.04 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 1lpy n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lpy s LEU 13 N 0.00 0.43 -0.05 0.99 2.96 -1.26 -4.21 118.68 117.54 1lpy s LEU 13 Ca 0.00 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 1lpy s LEU 13 Cb 0.00 -0.31 -0.00 0.00 0.50 0.00 0.00 46.19 46.38 1lpy s LEU 13 CO 0.00 -0.25 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.47 1lpy s ARG 14 N 2.07 1.94 0.00 1.98 1.81 -0.49 -4.98 118.95 121.27 1lpy s ARG 14 Ca 0.04 -0.64 0.20 0.00 -1.72 0.00 0.00 55.73 53.61 1lpy s ARG 14 Cb -0.13 -1.65 0.26 0.00 -0.45 0.00 0.00 34.95 32.98 1lpy s ARG 14 CO -0.05 0.24 1.23 1.28 -0.68 0.00 0.00 175.30 177.31 1lpy n LEU 15 N 3.20 2.96 -4.15 2.53 4.77 -1.26 -0.10 117.00 124.95 1lpy n LEU 15 Ca -0.18 -1.24 -0.21 0.00 -0.03 0.00 0.00 56.01 54.35 1lpy n LEU 15 Cb 0.53 -0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 41.38 1lpy n LEU 15 CO 0.25 0.58 -0.47 -0.75 -1.33 0.00 0.00 177.39 175.67 1lpy s LYS 16 N -1.55 1.01 0.12 3.23 2.36 -1.26 -0.45 119.74 123.21 1lpy s LYS 16 Ca 0.29 -0.74 -0.34 0.00 -2.55 0.00 0.00 55.97 52.63 1lpy s LYS 16 Cb 0.18 -1.03 -0.13 0.00 -1.05 0.00 0.00 37.83 35.80 1lpy s LYS 16 CO 0.27 0.26 1.66 -0.89 1.55 0.00 0.00 175.35 178.20 1lpy n ILE 17 N 2.01 0.13 -4.23 5.43 5.41 -0.52 -4.77 119.36 122.82 1lpy n ILE 17 Ca -0.17 -0.02 -0.13 0.00 1.00 0.00 0.00 62.75 63.42 1lpy n ILE 17 Cb 0.55 -1.67 -0.10 0.00 -0.71 0.00 0.00 39.64 37.70 1lpy n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1lpy s TYR 18 N 1.61 1.19 -0.15 1.39 -0.85 -0.14 -4.93 117.35 115.46 1lpy s TYR 18 Ca 0.81 -1.07 -0.14 0.00 -0.52 0.00 0.00 57.07 56.15 1lpy s TYR 18 Cb -0.65 -0.68 -0.05 0.00 0.38 0.00 0.00 41.96 40.96 1lpy s TYR 18 CO 0.40 -0.27 0.30 0.15 -1.52 0.00 0.00 175.55 174.61 1lpy s LYS 19 N -3.95 4.23 0.08 -3.49 1.02 -1.26 -0.33 119.74 116.05 1lpy s LYS 19 Ca 0.25 0.12 -0.01 0.00 0.02 0.00 0.00 55.97 56.35 1lpy s LYS 19 Cb 0.06 -3.41 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1lpy s LYS 19 CO 0.04 0.26 0.11 -0.40 -0.92 0.00 0.00 175.35 174.45 1lpy n ASP 20 N 3.49 -0.04 0.33 2.83 3.85 0.64 -4.75 116.55 122.91 1lpy n ASP 20 Ca -0.12 -1.02 0.16 0.00 -0.71 0.00 0.00 54.79 53.11 1lpy n ASP 20 Cb 0.52 -0.09 0.87 0.00 -1.35 0.00 0.00 41.12 41.07 1lpy n ASP 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1lpy h THR 21 N -1.09 0.01 -0.28 2.12 1.03 -1.99 0.72 112.91 113.44 1lpy h THR 21 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.36 1lpy h THR 21 Cb 0.10 0.71 0.00 0.00 -1.07 0.00 0.00 68.15 67.89 1lpy h THR 21 CO 0.03 0.00 0.00 -0.62 -0.01 0.00 0.00 175.52 174.92 1lpy n GLU 22 N -2.94 2.11 -0.65 0.00 1.02 -1.26 -4.96 120.64 113.96 1lpy n GLU 22 Ca -0.02 -1.88 0.00 0.00 -0.02 0.00 0.00 57.16 55.24 1lpy n GLU 22 Cb 0.35 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1lpy n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lpy n GLY 23 N 0.82 0.74 3.88 0.62 0.00 0.25 -5.04 105.19 106.46 1lpy n GLY 23 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1lpy n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lpy s TYR 24 N -2.59 3.59 0.19 1.61 4.12 -1.26 -4.54 117.35 118.48 1lpy s TYR 24 Ca 0.00 0.66 -0.31 0.00 0.02 0.00 0.00 57.07 57.43 1lpy s TYR 24 Cb 0.00 -2.05 -0.11 0.00 -1.52 0.00 0.00 41.96 38.28 1lpy s TYR 24 CO 0.00 0.60 1.59 0.71 0.02 0.00 0.00 175.55 178.47 1lpy s TYR 25 N -1.28 3.01 0.14 2.71 1.51 -1.20 -0.26 117.35 121.97 1lpy s TYR 25 Ca 0.28 0.62 -0.06 0.00 -1.01 0.00 0.00 57.07 56.89 1lpy s TYR 25 Cb -0.14 -3.97 -0.02 0.00 -0.11 0.00 0.00 41.96 37.73 1lpy s TYR 25 CO 0.15 -3.54 0.20 0.99 -1.11 0.00 0.00 175.55 172.24 1lpy s THR 26 N 0.96 0.09 0.22 -0.71 2.01 0.55 -0.03 115.64 118.73 1lpy s THR 26 Ca 0.69 -1.53 -0.17 0.00 0.31 0.00 0.00 61.69 60.99 1lpy s THR 26 Cb -0.45 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.25 1lpy s THR 26 CO 0.34 -0.41 0.55 -0.51 -0.69 0.00 0.00 174.62 173.89 1lpy s ILE 27 N -3.98 0.02 0.00 1.82 2.07 -0.38 -0.97 121.20 119.78 1lpy s ILE 27 Ca 0.17 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.44 1lpy s ILE 27 Cb 0.05 -1.80 0.00 0.00 0.13 0.00 0.00 42.46 40.83 1lpy s ILE 27 CO -0.01 -0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.56 1lpy n GLY 28 N -0.37 3.20 3.25 1.50 0.00 0.86 -0.90 105.19 112.73 1lpy n GLY 28 Ca -0.07 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1lpy n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lpy n ILE 29 N 0.00 4.42 -2.42 -0.61 5.41 -1.26 -1.40 119.36 123.50 1lpy n ILE 29 Ca 0.00 -5.42 -0.15 0.00 1.00 0.00 0.00 62.75 58.18 1lpy n ILE 29 Cb 0.00 -2.49 0.00 0.00 -0.71 0.00 0.00 39.64 36.44 1lpy n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1lpy n GLY 30 N 2.42 -0.23 3.41 7.39 0.00 -1.25 -4.89 105.19 112.04 1lpy n GLY 30 Ca 0.24 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1lpy n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1lpy s HIS 31 N -2.81 2.87 0.02 1.61 5.04 -0.08 -4.93 115.29 117.01 1lpy s HIS 31 Ca 0.06 -0.79 -0.30 0.00 -1.54 0.00 0.00 55.06 52.49 1lpy s HIS 31 Cb -0.03 -4.11 -0.07 0.00 0.04 0.00 0.00 32.58 28.41 1lpy s HIS 31 CO 0.07 -1.43 1.67 -1.17 -2.34 0.00 0.00 174.74 171.54 1lpy s LEU 32 N 3.23 4.35 -0.17 8.88 2.96 -1.26 -1.25 118.68 135.42 1lpy s LEU 32 Ca 0.16 2.40 -0.18 0.00 -0.22 0.00 0.00 54.13 56.29 1lpy s LEU 32 Cb -0.21 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 42.78 1lpy s LEU 32 CO 0.08 -0.90 0.22 -0.07 -1.32 0.00 0.00 176.35 174.35 1lpy h LEU 33 N 9.24 0.00 -7.19 -0.68 3.38 -0.79 -3.48 115.31 115.78 1lpy h LEU 33 Ca -0.42 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.20 1lpy h LEU 33 Cb 1.20 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.82 1lpy h LEU 33 CO 0.94 1.12 0.41 0.28 0.09 0.00 0.00 178.44 181.28 1lpy s THR 34 N -2.22 0.00 -2.65 0.22 -1.32 -1.15 -4.94 115.64 103.59 1lpy s THR 34 Ca -0.21 -0.19 0.25 0.00 -1.21 0.00 0.00 61.69 60.33 1lpy s THR 34 Cb 0.03 -1.26 0.24 0.00 -1.51 0.00 0.00 72.50 70.00 1lpy s THR 34 CO 0.47 0.00 1.36 0.29 -2.21 0.00 0.00 174.62 174.52 1lpy n LYS 35 N -0.33 1.90 -2.10 7.08 5.02 -1.26 -3.26 118.16 125.20 1lpy n LYS 35 Ca -0.10 -1.47 -0.40 0.00 -2.02 0.00 0.00 58.31 54.33 1lpy n LYS 35 Cb 0.62 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 34.15 1lpy n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1lpy s SER 36 N -2.11 6.45 0.00 4.39 0.15 -1.26 -4.84 113.70 116.48 1lpy s SER 36 Ca 0.28 2.62 0.15 0.00 0.70 0.00 0.00 55.95 59.70 1lpy s SER 36 Cb 0.20 -2.64 0.64 0.00 -1.71 0.00 0.00 66.02 62.51 1lpy s SER 36 CO 0.37 -0.75 1.45 -0.81 1.20 0.00 0.00 173.24 174.69 1lpy n PRO 37 N 0.28 1.42 -3.42 5.44 -0.04 -1.26 -4.65 135.00 132.76 1lpy n PRO 37 Ca 0.03 -0.65 -0.41 0.00 -0.04 0.00 0.00 63.50 62.44 1lpy n PRO 37 Cb 0.44 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 1lpy n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1lpy s SER 38 N -1.36 6.16 0.27 3.54 0.15 -1.26 -4.95 113.70 116.24 1lpy s SER 38 Ca 0.24 -0.23 -0.03 0.00 0.70 0.00 0.00 55.95 56.63 1lpy s SER 38 Cb 0.12 -2.19 0.38 0.00 -1.71 0.00 0.00 66.02 62.63 1lpy s SER 38 CO 0.19 -0.31 1.90 0.25 1.20 0.00 0.00 173.24 176.46 1lpy h LEU 39 N 8.69 1.06 -0.99 3.45 5.85 -1.99 -0.94 115.31 130.44 1lpy h LEU 39 Ca -0.30 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.34 1lpy h LEU 39 Cb 1.15 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1lpy h LEU 39 CO 0.68 0.70 -0.36 0.78 -0.34 0.00 0.00 178.44 179.90 1lpy h ASN 40 N 1.22 0.00 0.00 1.25 2.35 -1.98 0.11 115.58 118.52 1lpy h ASN 40 Ca 0.42 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1lpy h ASN 40 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1lpy h ASN 40 CO -0.15 0.36 -0.00 0.00 -1.65 0.00 0.00 177.43 175.99 1lpy h ALA 41 N 1.64 -0.00 -0.69 -0.83 0.00 -1.70 0.11 119.26 117.79 1lpy h ALA 41 Ca -0.00 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1lpy h ALA 41 Cb 0.86 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1lpy h ALA 41 CO 0.05 -0.45 0.45 0.00 0.00 0.00 0.00 179.25 179.29 1lpy h ALA 42 N 0.90 1.73 -0.07 0.00 0.00 -0.26 0.52 119.26 122.09 1lpy h ALA 42 Ca -0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1lpy h ALA 42 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1lpy h ALA 42 CO 0.00 0.17 -0.60 0.87 0.00 0.00 0.00 179.25 179.69 1lpy h LYS 43 N 0.71 0.23 -0.32 0.00 1.57 0.06 0.37 116.57 119.19 1lpy h LYS 43 Ca 0.29 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1lpy h LYS 43 Cb 0.25 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1lpy h LYS 43 CO -0.09 0.76 0.09 1.03 -0.57 0.00 0.00 179.45 180.67 1lpy h SER 44 N 0.17 0.47 -0.42 0.86 0.87 0.12 0.04 113.55 115.66 1lpy h SER 44 Ca -0.01 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1lpy h SER 44 Cb 1.10 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 1lpy h SER 44 CO 0.09 0.57 0.28 -0.33 -0.53 0.00 0.00 176.83 176.91 1lpy h GLU 45 N 0.36 0.55 -0.90 2.24 4.39 -0.77 -1.32 114.58 119.12 1lpy h GLU 45 Ca 0.10 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1lpy h GLU 45 Cb 0.27 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 1lpy h GLU 45 CO -0.00 0.36 0.58 1.25 -1.16 0.00 0.00 179.01 180.04 1lpy h LEU 46 N 0.56 1.05 -1.19 1.33 5.85 -0.46 -0.05 115.31 122.41 1lpy h LEU 46 Ca 0.16 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1lpy h LEU 46 Cb -0.05 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 1lpy h LEU 46 CO -0.04 0.78 -0.01 0.44 -0.34 0.00 0.00 178.44 179.27 1lpy h ASP 47 N 1.23 0.52 -0.29 1.25 3.32 -0.52 -0.15 116.42 121.77 1lpy h ASP 47 Ca 0.33 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 1lpy h ASP 47 Cb -0.11 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1lpy h ASP 47 CO -0.07 0.60 -0.20 0.50 -1.72 0.00 0.00 179.24 178.35 1lpy h LYS 48 N 0.53 0.76 -0.13 3.56 3.64 -0.54 1.24 116.57 125.64 1lpy h LYS 48 Ca 0.11 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 1lpy h LYS 48 Cb 0.35 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1lpy h LYS 48 CO 0.01 0.90 0.03 0.00 -2.27 0.00 0.00 179.45 178.13 1lpy h ALA 49 N 1.10 0.17 0.00 5.00 0.00 -0.36 -3.25 119.26 121.91 1lpy h ALA 49 Ca 0.10 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1lpy h ALA 49 Cb 0.70 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1lpy h ALA 49 CO 0.05 -0.21 -1.44 0.82 0.00 0.00 0.00 179.25 178.48 1lpy h ILE 50 N 0.01 0.61 0.00 0.00 1.08 -0.97 -3.49 117.51 114.75 1lpy h ILE 50 Ca 0.04 -2.19 0.00 0.00 -0.39 0.00 0.00 64.86 62.32 1lpy h ILE 50 Cb 0.25 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1lpy h ILE 50 CO -0.00 0.35 0.00 0.61 -0.69 0.00 0.00 178.15 178.42 1lpy n GLY 51 N 1.42 0.88 3.74 5.37 0.00 0.42 -5.06 105.19 111.97 1lpy n GLY 51 Ca -0.11 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 1lpy n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1lpy s ARG 52 N -1.51 1.66 -0.43 1.61 1.70 -0.97 -5.03 118.95 115.99 1lpy s ARG 52 Ca 0.00 -0.91 -0.27 0.00 -0.47 0.00 0.00 55.73 54.08 1lpy s ARG 52 Cb 0.00 0.59 0.02 0.00 -0.57 0.00 0.00 34.95 34.99 1lpy s ARG 52 CO 0.00 -0.75 1.02 -0.80 -1.08 0.00 0.00 175.30 173.69 1lpy s ASN 53 N -2.89 6.64 -0.01 -2.89 -0.87 -1.26 -4.29 114.94 109.37 1lpy s ASN 53 Ca 0.10 0.47 0.11 0.00 -1.57 0.00 0.00 52.86 51.97 1lpy s ASN 53 Cb -0.04 -2.50 -0.16 0.00 -0.02 0.00 0.00 41.25 38.53 1lpy s ASN 53 CO 0.03 -1.05 0.30 0.35 -2.57 0.00 0.00 177.10 174.16 1lpy n THR 54 N 6.38 0.00 -3.00 1.60 -2.24 -1.26 -5.02 114.28 110.75 1lpy n THR 54 Ca 0.09 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.41 1lpy n THR 54 Cb 0.48 0.45 0.01 0.00 -2.10 0.00 0.00 70.33 69.18 1lpy n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1lpy n ASN 55 N -1.71 -5.00 0.00 3.42 5.15 -1.26 -3.16 115.26 112.70 1lpy n ASN 55 Ca -0.01 -0.23 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 1lpy n ASN 55 Cb 0.25 -4.10 0.00 0.00 -0.53 0.00 0.00 39.78 35.40 1lpy n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lpy n GLY 56 N -1.26 0.59 2.99 8.20 0.00 -1.26 -5.00 105.19 109.44 1lpy n GLY 56 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1lpy n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lpy s VAL 57 N -2.27 0.75 0.34 1.61 1.01 -1.19 -1.43 120.40 119.22 1lpy s VAL 57 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1lpy s VAL 57 Cb 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1lpy s VAL 57 CO 0.00 0.24 0.07 0.27 0.00 0.00 0.00 175.10 175.68 1lpy s ILE 58 N 0.29 1.02 0.43 2.22 -4.36 0.41 -4.86 121.20 116.34 1lpy s ILE 58 Ca -0.04 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1lpy s ILE 58 Cb -0.09 -2.69 -0.01 0.00 1.25 0.00 0.00 42.46 40.92 1lpy s ILE 58 CO 0.01 0.00 0.66 0.42 0.24 0.00 0.00 174.94 176.27 1lpy s THR 59 N -3.32 4.35 0.31 8.37 -4.23 -1.26 -4.79 115.64 115.08 1lpy s THR 59 Ca 0.34 -0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.46 1lpy s THR 59 Cb 0.07 -3.61 0.19 0.00 1.34 0.00 0.00 72.50 70.49 1lpy s THR 59 CO 0.15 -0.45 1.89 0.50 -0.54 0.00 0.00 174.62 176.17 1lpy h LYS 60 N 0.44 0.79 -0.32 3.99 3.64 -1.97 0.01 116.57 123.15 1lpy h LYS 60 Ca -0.47 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 58.71 1lpy h LYS 60 Cb 1.24 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1lpy h LYS 60 CO 0.59 0.66 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.86 1lpy h ASP 61 N 0.78 0.54 -0.55 4.20 3.45 -1.99 0.13 116.42 122.98 1lpy h ASP 61 Ca 0.18 -0.15 -0.04 0.00 0.43 0.00 0.00 57.03 57.45 1lpy h ASP 61 Cb 0.17 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 1lpy h ASP 61 CO -0.02 0.70 0.17 -0.33 -1.57 0.00 0.00 179.24 178.19 1lpy h GLU 62 N 0.51 0.86 -0.64 3.56 5.08 -1.75 -0.95 114.58 121.25 1lpy h GLU 62 Ca 0.09 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1lpy h GLU 62 Cb 0.52 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1lpy h GLU 62 CO 0.03 0.78 0.41 0.00 -1.00 0.00 0.00 179.01 179.23 1lpy h ALA 63 N 1.04 0.82 0.00 3.43 0.00 -0.28 -0.86 119.26 123.40 1lpy h ALA 63 Ca 0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1lpy h ALA 63 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1lpy h ALA 63 CO -0.01 0.19 -0.40 0.93 0.00 0.00 0.00 179.25 179.96 1lpy h GLU 64 N 0.82 0.00 -0.28 0.00 5.08 -0.44 -0.73 114.58 119.03 1lpy h GLU 64 Ca 0.25 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1lpy h GLU 64 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1lpy h GLU 64 CO -0.08 0.40 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.98 1lpy h LYS 65 N 0.00 0.60 -0.56 2.33 3.64 -0.49 -1.42 116.57 120.66 1lpy h LYS 65 Ca -0.00 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 1lpy h LYS 65 Cb 0.73 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 1lpy h LYS 65 CO 0.05 0.83 0.18 -0.07 -2.27 0.00 0.00 179.45 178.18 1lpy h LEU 66 N 0.34 0.77 -0.48 5.20 3.38 -0.86 -2.60 115.31 121.06 1lpy h LEU 66 Ca 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1lpy h LEU 66 Cb 0.65 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1lpy h LEU 66 CO 0.04 0.72 0.18 0.15 0.09 0.00 0.00 178.44 179.62 1lpy h PHE 67 N 0.82 0.75 -0.61 1.13 -0.00 -0.84 0.73 116.94 118.91 1lpy h PHE 67 Ca 0.19 -0.06 -0.02 0.00 -0.00 0.00 0.00 57.97 58.07 1lpy h PHE 67 Cb 0.23 -0.22 -0.03 0.00 -0.00 0.00 0.00 35.95 35.93 1lpy h PHE 67 CO 0.01 0.64 0.28 -0.97 -0.00 0.00 0.00 178.31 178.28 1lpy h ASN 68 N 0.64 0.78 -0.58 0.41 -0.00 -1.00 -0.28 115.58 115.54 1lpy h ASN 68 Ca 0.16 -0.08 -0.06 0.00 -0.00 0.00 0.00 56.30 56.31 1lpy h ASN 68 Cb 0.22 -0.20 -0.03 0.00 -0.00 0.00 0.00 38.32 38.32 1lpy h ASN 68 CO -0.01 0.68 0.13 1.56 -0.00 0.00 0.00 177.43 179.79 1lpy h GLN 69 N 0.86 0.97 -0.14 6.67 4.20 -1.04 -1.40 115.11 125.25 1lpy h GLN 69 Ca 0.21 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 1lpy h GLN 69 Cb 0.11 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1lpy h GLN 69 CO -0.03 0.88 -0.43 -0.44 -0.67 0.00 0.00 178.83 178.14 1lpy h ASP 70 N 0.93 0.34 -0.23 1.46 3.32 -0.02 0.25 116.42 122.46 1lpy h ASP 70 Ca 0.20 -0.15 -0.20 0.00 0.02 0.00 0.00 57.03 56.90 1lpy h ASP 70 Cb 0.36 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1lpy h ASP 70 CO 0.00 0.73 -0.63 0.58 -1.72 0.00 0.00 179.24 178.21 1lpy h VAL 71 N 0.26 1.28 -0.33 -1.35 2.07 -0.79 -1.75 116.25 115.65 1lpy h VAL 71 Ca 0.02 -1.82 -0.03 0.00 0.82 0.00 0.00 66.70 65.69 1lpy h VAL 71 Cb 0.87 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1lpy h VAL 71 CO 0.07 0.59 0.08 0.44 0.02 0.00 0.00 177.57 178.77 1lpy h ASP 72 N 0.59 0.49 -0.59 0.57 3.45 -1.14 -1.86 116.42 117.93 1lpy h ASP 72 Ca -0.01 -0.23 0.10 0.00 0.43 0.00 0.00 57.03 57.31 1lpy h ASP 72 Cb 1.25 -0.13 -0.07 0.00 -0.56 0.00 0.00 39.33 39.81 1lpy h ASP 72 CO 0.14 0.59 0.19 0.00 -1.57 0.00 0.00 179.24 178.59 1lpy h ALA 73 N 0.92 0.74 -0.61 3.45 0.00 -0.79 0.06 119.26 123.04 1lpy h ALA 73 Ca 0.10 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1lpy h ALA 73 Cb 0.29 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1lpy h ALA 73 CO 0.00 -0.23 0.38 0.00 0.00 0.00 0.00 179.25 179.40 1lpy h ALA 74 N 1.42 0.78 -0.16 0.00 0.00 -0.81 -0.05 119.26 120.45 1lpy h ALA 74 Ca 0.30 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 1lpy h ALA 74 Cb 0.39 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1lpy h ALA 74 CO -0.32 0.13 -0.66 0.28 0.00 0.00 0.00 179.25 178.67 1lpy h VAL 75 N 0.75 1.32 -0.90 0.00 2.07 -0.78 -2.39 116.25 116.32 1lpy h VAL 75 Ca 0.24 -1.94 0.07 0.00 0.82 0.00 0.00 66.70 65.89 1lpy h VAL 75 Cb 0.00 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 1lpy h VAL 75 CO -0.09 0.60 0.59 0.03 0.02 0.00 0.00 177.57 178.72 1lpy h ARG 76 N 0.43 0.99 -0.32 1.57 2.47 -0.64 -0.94 114.38 117.94 1lpy h ARG 76 Ca -0.02 -0.06 -0.15 0.00 -1.26 0.00 0.00 59.98 58.49 1lpy h ARG 76 Cb 1.24 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 29.33 1lpy h ARG 76 CO 0.13 0.65 -0.41 0.78 0.56 0.00 0.00 179.97 181.68 1lpy h GLY 77 N 1.02 0.85 0.95 0.04 0.00 -0.65 -1.61 103.07 103.67 1lpy h GLY 77 Ca 0.39 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1lpy h GLY 77 CO -0.15 0.79 -0.01 -2.22 0.00 0.00 0.00 176.54 174.95 1lpy h ILE 78 N 0.64 1.02 0.00 2.60 2.04 -0.90 -2.31 117.51 120.60 1lpy h ILE 78 Ca 0.05 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1lpy h ILE 78 Cb 0.97 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1lpy h ILE 78 CO 0.09 0.03 -0.01 -0.07 0.00 0.00 0.00 178.15 178.18 1lpy h LEU 79 N -0.07 0.00 0.00 1.44 3.38 -1.01 -0.08 115.31 118.96 1lpy h LEU 79 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lpy h LEU 79 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1lpy h LEU 79 CO 0.00 0.01 -0.71 0.54 0.09 0.00 0.00 178.44 178.38 1lpy n ARG 80 N -3.22 0.01 -3.05 1.13 1.74 -0.62 -4.71 116.66 107.93 1lpy n ARG 80 Ca -0.02 -0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.66 1lpy n ARG 80 Cb 0.14 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 1lpy n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1lpy s ASN 81 N -3.03 6.89 0.44 0.55 3.84 -0.06 -4.91 114.94 118.66 1lpy s ASN 81 Ca 0.10 1.07 0.11 0.00 0.21 0.00 0.00 52.86 54.35 1lpy s ASN 81 Cb 0.17 -2.39 1.00 0.00 -0.55 0.00 0.00 41.25 39.47 1lpy s ASN 81 CO 0.77 -0.19 2.04 0.00 -2.79 0.00 0.00 177.10 176.93 1lpy h ALA 82 N 7.03 1.89 -0.23 1.71 0.00 -1.87 -1.33 119.26 126.46 1lpy h ALA 82 Ca -0.37 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1lpy h ALA 82 Cb 1.17 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1lpy h ALA 82 CO 0.77 0.05 0.08 1.63 0.00 0.00 0.00 179.25 181.78 1lpy n LYS 83 N -4.48 1.93 0.00 0.00 4.01 -1.26 -4.45 118.16 113.91 1lpy n LYS 83 Ca 0.05 -0.99 0.00 0.00 -0.51 0.00 0.00 58.31 56.86 1lpy n LYS 83 Cb 0.20 -1.61 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 1lpy n LYS 83 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1lpy n LYS 85 N 0.12 0.00 -0.09 1.97 4.81 -0.50 -4.84 118.16 119.62 1lpy n LYS 85 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1lpy n LYS 85 Cb 0.67 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.72 1lpy n LYS 85 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1lpy n PRO 86 N 0.00 0.26 0.00 1.64 -0.04 -1.26 -0.54 135.00 135.06 1lpy n PRO 86 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1lpy n PRO 86 Cb 0.00 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1lpy n PRO 86 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1lpy n TYR 88 N 1.59 0.00 0.29 0.54 4.19 -1.26 -1.63 117.16 120.87 1lpy n TYR 88 Ca 0.00 0.00 0.15 0.00 3.31 0.00 0.00 57.90 61.36 1lpy n TYR 88 Cb 0.13 0.00 0.86 0.00 0.49 0.00 0.00 39.34 40.82 1lpy n TYR 88 CO 0.00 0.00 0.00 -0.44 0.91 0.00 0.00 176.86 177.33 1lpy h ASP 89 N 0.00 0.00 -0.23 2.98 3.45 -1.26 -3.44 116.42 117.92 1lpy h ASP 89 Ca 0.00 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.31 1lpy h ASP 89 Cb 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 38.70 1lpy h ASP 89 CO 0.00 0.05 0.19 -1.54 -1.57 0.00 0.00 179.24 176.37 1lpy n SER 90 N -3.70 5.23 -4.76 6.45 3.41 -0.65 -5.14 113.62 114.47 1lpy n SER 90 Ca -0.02 -2.64 -0.25 0.00 -0.26 0.00 0.00 58.87 55.69 1lpy n SER 90 Cb 0.15 -0.97 -0.07 0.00 -0.26 0.00 0.00 64.21 63.06 1lpy n SER 90 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1lpy s ASP 92 N 0.95 4.44 0.39 4.04 1.47 -1.26 -5.13 116.67 121.58 1lpy s ASP 92 Ca 0.15 -1.13 0.08 0.00 1.18 0.00 0.00 52.55 52.83 1lpy s ASP 92 Cb 0.12 -0.32 0.81 0.00 -0.34 0.00 0.00 42.92 43.19 1lpy s ASP 92 CO 0.00 -0.63 1.97 0.00 0.68 0.00 0.00 175.17 177.20 1lpy h ALA 93 N 1.34 1.58 -0.10 2.11 0.00 -1.96 0.14 119.26 122.37 1lpy h ALA 93 Ca -0.42 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1lpy h ALA 93 Cb 1.26 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1lpy h ALA 93 CO 0.69 0.31 -0.13 0.28 0.00 0.00 0.00 179.25 180.40 1lpy h VAL 94 N 0.36 1.37 -0.72 0.00 2.07 -1.96 -2.04 116.25 115.34 1lpy h VAL 94 Ca 0.08 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 1lpy h VAL 94 Cb 0.21 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1lpy h VAL 94 CO 0.00 0.38 0.31 0.03 0.02 0.00 0.00 177.57 178.31 1lpy h ARG 95 N -0.16 1.05 -0.66 1.57 3.08 -1.76 -0.08 114.38 117.42 1lpy h ARG 95 Ca 0.01 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1lpy h ARG 95 Cb 0.67 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1lpy h ARG 95 CO 0.03 0.84 0.37 0.00 -1.07 0.00 0.00 179.97 180.14 1lpy h ARG 96 N 1.04 0.90 -0.89 0.04 3.08 -0.65 -2.00 114.38 115.90 1lpy h ARG 96 Ca 0.25 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1lpy h ARG 96 Cb 0.17 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1lpy h ARG 96 CO -0.02 0.65 0.49 0.00 -1.07 0.00 0.00 179.97 180.02 1lpy h ALA 97 N 1.50 1.19 -0.02 0.04 0.00 -0.30 -3.42 119.26 118.25 1lpy h ALA 97 Ca 0.23 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.67 1lpy h ALA 97 Cb 0.01 -0.35 0.09 0.00 0.00 0.00 0.00 17.79 17.53 1lpy h ALA 97 CO -0.04 0.65 0.93 0.00 0.00 0.00 0.00 179.25 180.80 1lpy n ALA 98 N -2.41 0.55 -1.06 0.00 0.00 -0.59 -4.96 120.51 112.05 1lpy n ALA 98 Ca 0.09 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.37 1lpy n ALA 98 Cb 0.09 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 16.63 1lpy n ALA 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1lpy n ASN 101 N 10.23 -1.41 0.00 0.00 2.85 -1.26 -5.03 115.26 120.64 1lpy n ASN 101 Ca 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 1lpy n ASN 101 Cb 0.41 -0.54 0.00 0.00 1.24 0.00 0.00 39.78 40.89 1lpy n ASN 101 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1lpy n PHE 104 N -0.86 0.00 1.36 1.20 -0.00 -1.26 -5.01 117.46 112.89 1lpy n PHE 104 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.56 1lpy n PHE 104 Cb 0.35 0.00 0.63 0.00 -0.00 0.00 0.00 39.48 40.46 1lpy n PHE 104 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1lpy n GLN 105 N 0.00 0.68 0.00 -4.13 7.27 -1.26 -5.07 117.38 114.87 1lpy n GLN 105 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1lpy n GLN 105 Cb 0.00 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.16 1lpy n GLN 105 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1lpy n GLY 107 N 0.36 1.82 0.36 1.69 0.00 -1.26 -5.14 105.19 103.02 1lpy n GLY 107 Ca 0.16 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1lpy n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1lpy h GLU 108 N 0.00 -0.48 -0.08 1.61 4.81 -1.99 -3.02 114.58 115.42 1lpy h GLU 108 Ca 0.00 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1lpy h GLU 108 Cb 0.00 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 1lpy h GLU 108 CO 0.00 -0.32 -0.33 1.15 -0.73 0.00 0.00 179.01 178.77 1lpy h THR 109 N -0.50 0.27 0.00 0.32 2.02 -2.05 -1.37 112.91 111.60 1lpy h THR 109 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1lpy h THR 109 Cb 0.59 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1lpy h THR 109 CO -0.28 0.00 0.04 0.54 0.37 0.00 0.00 175.52 176.19 1lpy n ARG 110 N -5.42 0.26 0.00 6.66 1.74 -1.14 -3.83 116.66 114.93 1lpy n ARG 110 Ca -0.04 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1lpy n ARG 110 Cb 0.33 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1lpy n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lpy n ALA 112 N 2.01 0.00 0.32 7.54 0.00 -0.52 -4.15 120.51 125.72 1lpy n ALA 112 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1lpy n ALA 112 Cb 0.13 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.15 1lpy n ALA 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1lpy h GLY 113 N 0.00 0.00 -2.63 0.00 0.00 -1.86 -2.69 103.07 95.89 1lpy h GLY 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1lpy h GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 1lpy n PHE 114 N -2.36 0.91 -0.29 5.60 3.72 -1.26 -4.56 117.46 119.22 1lpy n PHE 114 Ca 0.01 -0.46 0.08 0.00 -0.05 0.00 0.00 57.45 57.03 1lpy n PHE 114 Cb 0.18 0.00 0.31 0.00 -0.94 0.00 0.00 39.48 39.03 1lpy n PHE 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1lpy h THR 115 N 4.29 0.93 -0.99 4.37 1.03 -1.86 -1.60 112.91 119.08 1lpy h THR 115 Ca 0.00 -0.29 0.02 0.00 -0.01 0.00 0.00 66.41 66.13 1lpy h THR 115 Cb 0.98 0.01 -0.05 0.00 -1.07 0.00 0.00 68.15 68.01 1lpy h THR 115 CO 0.00 0.16 0.66 0.78 -0.01 0.00 0.00 175.52 177.10 1lpy h ASN 116 N 0.85 1.12 0.00 0.00 2.35 -1.86 -1.54 115.58 116.49 1lpy h ASN 116 Ca 0.43 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1lpy h ASN 116 Cb 0.48 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1lpy h ASN 116 CO -0.19 0.79 0.00 -1.20 -1.65 0.00 0.00 177.43 175.18 1lpy n SER 117 N -4.41 0.00 -0.79 5.81 7.64 -0.60 -5.02 113.62 116.26 1lpy n SER 117 Ca 0.13 -0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.00 1lpy n SER 117 Cb 0.05 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1lpy n SER 117 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1lpy n ARG 119 N 0.43 -0.02 0.00 1.43 0.63 -0.59 -4.74 116.66 113.80 1lpy n ARG 119 Ca 0.00 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1lpy n ARG 119 Cb 0.00 -0.03 0.00 0.00 0.45 0.00 0.00 32.46 32.88 1lpy n ARG 119 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1lpy n GLN 122 N 0.27 0.00 -0.21 -0.14 7.27 -1.26 -4.72 117.38 118.59 1lpy n GLN 122 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.04 1lpy n GLN 122 Cb 0.01 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.71 1lpy n GLN 122 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1lpy n GLN 123 N 0.00 1.35 -1.35 3.69 10.64 -1.26 -4.83 117.38 125.62 1lpy n GLN 123 Ca 0.00 -0.57 -0.12 0.00 -1.83 0.00 0.00 57.00 54.48 1lpy n GLN 123 Cb 0.00 -1.32 -0.05 0.00 -0.86 0.00 0.00 30.24 28.01 1lpy n GLN 123 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1lpy n LYS 124 N 0.18 -1.27 -2.03 2.61 5.02 -1.26 -4.83 118.16 116.59 1lpy n LYS 124 Ca 0.10 0.71 -0.39 0.00 -2.02 0.00 0.00 58.31 56.71 1lpy n LYS 124 Cb 0.65 -4.94 -0.01 0.00 -0.02 0.00 0.00 35.03 30.72 1lpy n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1lpy n ARG 125 N -1.80 4.49 -0.05 1.97 1.74 -1.26 -4.81 116.66 116.95 1lpy n ARG 125 Ca -0.12 -3.51 -0.08 0.00 -0.77 0.00 0.00 57.85 53.36 1lpy n ARG 125 Cb 0.40 -2.56 -0.02 0.00 -1.02 0.00 0.00 32.46 29.25 1lpy n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1lpy h TRP 126 N 4.39 -0.08 -0.18 -1.55 4.06 -1.95 0.31 115.95 120.94 1lpy h TRP 126 Ca 0.66 0.02 -0.21 0.00 2.06 0.00 0.00 58.89 61.41 1lpy h TRP 126 Cb 0.34 0.07 0.01 0.00 -1.00 0.00 0.00 29.16 28.58 1lpy h TRP 126 CO 1.56 -0.07 -0.72 -0.44 -3.56 0.00 0.00 178.44 175.21 1lpy h ASP 127 N 0.02 0.95 -0.65 -3.49 5.19 -1.93 -1.50 116.42 115.01 1lpy h ASP 127 Ca 0.10 -0.61 0.04 0.00 -0.62 0.00 0.00 57.03 55.95 1lpy h ASP 127 Cb 0.15 -0.28 -0.05 0.00 0.18 0.00 0.00 39.33 39.33 1lpy h ASP 127 CO -0.21 1.40 0.38 -0.33 -3.12 0.00 0.00 179.24 177.36 1lpy h GLU 128 N 0.56 0.71 -0.82 3.56 5.08 -1.92 0.28 114.58 122.02 1lpy h GLU 128 Ca -0.04 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1lpy h GLU 128 Cb 1.34 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1lpy h GLU 128 CO 0.15 0.47 0.36 0.00 -1.00 0.00 0.00 179.01 178.99 1lpy h ALA 129 N 1.31 1.08 0.07 3.43 0.00 -0.86 -0.03 119.26 124.25 1lpy h ALA 129 Ca 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1lpy h ALA 129 Cb 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1lpy h ALA 129 CO -0.14 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.75 1lpy h ALA 130 N 1.20 -0.09 -0.55 0.00 0.00 -0.11 -2.56 119.26 117.14 1lpy h ALA 130 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1lpy h ALA 130 Cb 0.17 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1lpy h ALA 130 CO -0.03 -0.45 0.35 0.28 0.00 0.00 0.00 179.25 179.40 1lpy h VAL 131 N -0.30 1.15 0.00 0.00 2.07 -0.43 -2.88 116.25 115.86 1lpy h VAL 131 Ca -0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1lpy h VAL 131 Cb 0.26 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1lpy h VAL 131 CO 0.02 0.15 0.00 -3.20 0.02 0.00 0.00 177.57 174.55 1lpy n ASN 132 N -4.44 0.98 0.00 0.57 2.85 -0.03 -3.49 115.26 111.70 1lpy n ASN 132 Ca 0.05 -0.89 0.00 0.00 -0.11 0.00 0.00 54.58 53.63 1lpy n ASN 132 Cb 0.06 -0.19 0.00 0.00 1.24 0.00 0.00 39.78 40.89 1lpy n ASN 132 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1lpy n ALA 134 N 1.37 0.00 -2.84 5.20 0.00 -1.09 -4.62 120.51 118.53 1lpy n ALA 134 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1lpy n ALA 134 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1lpy n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1lpy n LYS 135 N 0.00 3.49 -3.50 0.00 5.02 -1.23 -4.62 118.16 117.33 1lpy n LYS 135 Ca 0.00 -3.86 -0.09 0.00 -2.02 0.00 0.00 58.31 52.35 1lpy n LYS 135 Cb 0.00 -2.95 -0.02 0.00 -0.02 0.00 0.00 35.03 32.04 1lpy n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1lpy s SER 136 N 2.01 -0.38 0.27 4.39 1.04 -1.26 -5.01 113.70 114.76 1lpy s SER 136 Ca 0.40 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.83 1lpy s SER 136 Cb -0.00 0.39 0.38 0.00 0.10 0.00 0.00 66.02 66.90 1lpy s SER 136 CO 0.00 -0.62 1.92 -0.09 0.98 0.00 0.00 173.24 175.42 1lpy h ARG 137 N 2.03 1.17 0.10 4.02 2.43 -1.98 -1.08 114.38 121.07 1lpy h ARG 137 Ca -0.22 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 58.89 1lpy h ARG 137 Cb 1.24 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1lpy h ARG 137 CO 0.31 0.78 -0.20 2.35 -1.51 0.00 0.00 179.97 181.70 1lpy h TRP 138 N 1.21 -0.52 -0.56 2.20 7.01 -1.95 0.59 115.95 123.94 1lpy h TRP 138 Ca 0.39 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.34 1lpy h TRP 138 Cb 0.02 0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 1lpy h TRP 138 CO -0.00 -0.29 0.12 -0.92 -2.79 0.00 0.00 178.44 174.56 1lpy h TYR 139 N -0.37 0.95 0.00 2.65 3.20 -1.76 -1.37 116.97 120.27 1lpy h TYR 139 Ca 0.03 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1lpy h TYR 139 Cb 0.39 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1lpy h TYR 139 CO -0.20 0.83 -0.05 -0.91 -1.64 0.00 0.00 178.16 176.20 1lpy h ASN 140 N 0.80 0.00 0.14 -2.11 -0.26 -0.56 -1.59 115.58 111.99 1lpy h ASN 140 Ca 0.17 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.57 1lpy h ASN 140 Cb 0.37 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 1lpy h ASN 140 CO 0.01 0.05 -1.78 1.56 -1.06 0.00 0.00 177.43 176.20 1lpy h GLN 141 N 0.00 0.29 -2.43 0.81 1.08 0.92 -3.41 115.11 112.37 1lpy h GLN 141 Ca -0.00 -0.49 -0.59 0.00 -1.45 0.00 0.00 58.65 56.11 1lpy h GLN 141 Cb 0.09 0.18 -0.40 0.00 -0.05 0.00 0.00 27.48 27.30 1lpy h GLN 141 CO 0.01 1.24 -0.78 0.25 -0.95 0.00 0.00 178.83 178.59 1lpy n THR 142 N -3.65 0.74 -0.25 -0.54 -2.24 -0.59 -4.99 114.28 102.76 1lpy n THR 142 Ca -0.29 -4.48 -0.03 0.00 -2.27 0.00 0.00 64.05 56.98 1lpy n THR 142 Cb 1.01 -2.00 0.08 0.00 -2.10 0.00 0.00 70.33 67.32 1lpy n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1lpy h PRO 143 N 4.77 0.83 -0.51 -0.78 0.13 -1.50 -0.84 132.00 134.10 1lpy h PRO 143 Ca 0.17 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.14 1lpy h PRO 143 Cb 0.79 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 1lpy h PRO 143 CO 0.62 0.55 -0.13 -0.91 -0.23 0.00 0.00 178.00 177.91 1lpy h ASN 144 N 0.86 0.99 0.15 1.44 2.35 -1.94 0.92 115.58 120.34 1lpy h ASN 144 Ca 0.28 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1lpy h ASN 144 Cb 0.02 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.12 1lpy h ASN 144 CO -0.11 1.13 -0.07 -0.09 -1.65 0.00 0.00 177.43 176.64 1lpy h ARG 145 N 0.85 -0.19 -0.88 0.81 1.12 -1.94 -2.19 114.38 111.96 1lpy h ARG 145 Ca 0.13 0.01 0.03 0.00 -1.11 0.00 0.00 59.98 59.04 1lpy h ARG 145 Cb 0.69 0.04 -0.05 0.00 -0.01 0.00 0.00 29.97 30.65 1lpy h ARG 145 CO 0.05 -0.03 0.58 0.00 -3.11 0.00 0.00 179.97 177.46 1lpy h ALA 146 N 0.53 1.43 -0.97 2.80 0.00 -1.07 -1.03 119.26 120.96 1lpy h ALA 146 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1lpy h ALA 146 Cb 0.25 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1lpy h ALA 146 CO 0.03 0.49 0.61 0.87 0.00 0.00 0.00 179.25 181.25 1lpy h LYS 147 N 1.12 1.30 -0.64 0.00 1.57 -0.58 0.32 116.57 119.66 1lpy h LYS 147 Ca 0.34 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1lpy h LYS 147 Cb -0.01 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 31.99 1lpy h LYS 147 CO -0.10 0.89 0.26 0.00 -0.57 0.00 0.00 179.45 179.94 1lpy h ARG 148 N 1.33 0.96 -0.22 3.15 3.08 -0.58 0.62 114.38 122.71 1lpy h ARG 148 Ca 0.35 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 1lpy h ARG 148 Cb -0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1lpy h ARG 148 CO -0.07 0.80 -0.13 0.28 -1.07 0.00 0.00 179.97 179.78 1lpy h VAL 149 N 0.90 1.31 -0.18 2.04 2.07 -0.62 -0.67 116.25 121.11 1lpy h VAL 149 Ca 0.22 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1lpy h VAL 149 Cb 0.19 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1lpy h VAL 149 CO -0.02 0.38 0.12 0.40 0.02 0.00 0.00 177.57 178.47 1lpy h ILE 150 N 0.19 1.05 -0.87 4.57 2.04 -0.20 -1.10 117.51 123.18 1lpy h ILE 150 Ca 0.05 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1lpy h ILE 150 Cb 0.64 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1lpy h ILE 150 CO 0.04 0.05 0.55 0.74 0.00 0.00 0.00 178.15 179.53 1lpy h THR 151 N 0.24 1.07 -0.11 -0.27 2.02 -0.76 -0.05 112.91 115.04 1lpy h THR 151 Ca 0.07 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 66.92 1lpy h THR 151 Cb -0.02 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 1lpy h THR 151 CO -0.01 0.19 -0.04 0.74 0.37 0.00 0.00 175.52 176.76 1lpy h THR 152 N 1.02 0.85 -0.61 3.16 2.02 -0.59 0.23 112.91 118.99 1lpy h THR 152 Ca 0.37 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.52 1lpy h THR 152 Cb 0.13 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1lpy h THR 152 CO -0.16 0.00 0.23 0.15 0.37 0.00 0.00 175.52 176.11 1lpy h PHE 153 N -0.03 0.90 -0.04 3.16 3.04 -0.75 0.94 116.94 124.15 1lpy h PHE 153 Ca 0.06 -0.06 -0.26 0.00 3.98 0.00 0.00 57.97 61.70 1lpy h PHE 153 Cb 0.12 -0.27 0.02 0.00 2.56 0.00 0.00 35.95 38.37 1lpy h PHE 153 CO -0.17 0.70 -0.97 -0.09 -2.02 0.00 0.00 178.31 175.76 1lpy h ARG 154 N 0.88 0.73 0.00 1.11 2.43 -0.80 -3.37 114.38 115.35 1lpy h ARG 154 Ca 0.21 -0.72 -0.23 0.00 -0.81 0.00 0.00 59.98 58.42 1lpy h ARG 154 Cb 0.19 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1lpy h ARG 154 CO -0.02 1.31 -1.99 0.25 -1.51 0.00 0.00 179.97 178.01 1lpy n THR 155 N -3.87 1.05 -0.99 0.20 -2.24 0.05 -4.96 114.28 103.52 1lpy n THR 155 Ca -0.10 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1lpy n THR 155 Cb 0.85 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1lpy n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lpy n GLY 156 N 1.53 0.49 3.73 3.38 0.00 0.32 -5.00 105.19 109.64 1lpy n GLY 156 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1lpy n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lpy s THR 157 N -2.07 1.83 -0.28 2.61 -4.23 -1.26 -4.68 115.64 107.57 1lpy s THR 157 Ca 0.00 -1.84 0.12 0.00 -1.18 0.00 0.00 61.69 58.79 1lpy s THR 157 Cb 0.00 -2.66 0.66 0.00 1.34 0.00 0.00 72.50 71.84 1lpy s THR 157 CO 0.00 0.00 1.66 0.79 -0.54 0.00 0.00 174.62 176.53 1lpy n TRP 158 N -1.24 1.84 -0.28 3.99 7.02 -1.26 -4.58 117.44 122.93 1lpy n TRP 158 Ca -0.07 -1.14 0.07 0.00 -1.02 0.00 0.00 57.50 55.34 1lpy n TRP 158 Cb 0.66 -0.55 0.30 0.00 -2.42 0.00 0.00 31.31 29.30 1lpy n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1lpy h ASP 159 N 2.30 0.80 0.26 -0.99 3.45 -1.95 -0.83 116.42 119.45 1lpy h ASP 159 Ca 0.17 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.66 1lpy h ASP 159 Cb 1.99 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 40.61 1lpy h ASP 159 CO 0.54 0.47 0.00 0.00 -1.57 0.00 0.00 179.24 178.68 1lpy n ALA 160 N -2.41 1.57 -0.11 3.45 0.00 -1.26 -2.58 120.51 119.18 1lpy n ALA 160 Ca 0.15 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.60 1lpy n ALA 160 Cb 0.31 -1.17 0.14 0.00 0.00 0.00 0.00 19.45 18.73 1lpy n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1lpy n TYR 161 N -1.37 0.40 -0.55 0.00 4.01 -0.32 -4.95 117.16 114.38 1lpy n TYR 161 Ca 0.04 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 1lpy n TYR 161 Cb 0.10 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1lpy n TYR 161 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76