#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cup n ASN 2 N 0.00 -1.63 -0.31 6.12 0.23 -1.26 -5.04 115.26 113.37 1cup n ASN 2 Ca 0.00 -2.49 0.03 0.00 -0.53 0.00 0.00 54.58 51.59 1cup n ASN 2 Cb 0.00 2.82 0.18 0.00 -2.08 0.00 0.00 39.78 40.70 1cup n ASN 2 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1cup h ILE 3 N 1.87 0.94 -0.18 1.53 6.09 -1.98 0.20 117.51 125.99 1cup h ILE 3 Ca -0.27 -0.30 -0.08 0.00 -1.37 0.00 0.00 64.86 62.84 1cup h ILE 3 Cb 1.05 -0.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.32 1cup h ILE 3 CO 0.35 0.16 -0.21 -0.26 -3.07 0.00 0.00 178.15 175.12 1cup h PHE 4 N 0.89 0.55 -0.39 2.19 -1.00 -1.98 0.54 116.94 117.73 1cup h PHE 4 Ca 0.42 -0.17 -0.10 0.00 2.81 0.00 0.00 57.97 60.92 1cup h PHE 4 Cb 0.34 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 1cup h PHE 4 CO -0.04 0.84 -0.16 0.93 -1.61 0.00 0.00 178.31 178.27 1cup h GLU 5 N 0.10 0.72 -0.16 1.51 5.08 -1.84 0.42 114.58 120.42 1cup h GLU 5 Ca 0.02 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1cup h GLU 5 Cb 0.76 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1cup h GLU 5 CO 0.05 0.85 0.02 1.98 -1.00 0.00 0.00 179.01 180.91 1cup h MET 6 N 0.65 0.26 0.00 2.33 4.05 -0.42 -1.94 114.93 119.87 1cup h MET 6 Ca 0.10 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.39 1cup h MET 6 Cb 0.64 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 1cup h MET 6 CO 0.04 0.45 -0.29 -0.07 0.23 0.00 0.00 176.91 177.27 1cup h LEU 7 N 0.04 0.00 -1.24 3.39 3.38 -0.77 -1.74 115.31 118.37 1cup h LEU 7 Ca 0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1cup h LEU 7 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1cup h LEU 7 CO 0.00 0.29 -0.36 -0.09 0.09 0.00 0.00 178.44 178.37 1cup h ARG 8 N 0.00 0.00 -0.07 1.13 9.65 -0.31 -0.31 114.38 124.47 1cup h ARG 8 Ca -0.00 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.80 1cup h ARG 8 Cb 0.63 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1cup h ARG 8 CO 0.04 0.36 -0.24 0.82 2.80 0.00 0.00 179.97 183.75 1cup h ILE 9 N 0.00 1.42 -0.09 1.20 2.04 -0.76 -1.82 117.51 119.49 1cup h ILE 9 Ca -0.00 -1.62 -0.10 0.00 1.00 0.00 0.00 64.86 64.14 1cup h ILE 9 Cb 0.70 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1cup h ILE 9 CO 0.05 0.46 -0.39 0.44 0.00 0.00 0.00 178.15 178.71 1cup h ASP 10 N -0.19 0.20 0.00 1.72 3.32 -0.88 -3.31 116.42 117.28 1cup h ASP 10 Ca -0.01 -0.08 -0.28 0.00 0.02 0.00 0.00 57.03 56.68 1cup h ASP 10 Cb 0.87 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.31 1cup h ASP 10 CO 0.05 0.58 -2.27 -0.62 -1.72 0.00 0.00 179.24 175.27 1cup n GLU 11 N -4.05 0.76 -0.02 3.56 -0.58 -0.17 -5.09 120.64 115.06 1cup n GLU 11 Ca -0.01 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1cup n GLU 11 Cb 0.46 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1cup n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cup n GLY 12 N 1.68 -2.14 2.67 0.62 0.00 -0.69 -4.49 105.19 102.85 1cup n GLY 12 Ca -0.26 -1.46 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 1cup n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cup s LEU 13 N 0.00 0.22 -0.05 0.99 2.96 -1.26 -4.29 118.68 117.25 1cup s LEU 13 Ca 0.00 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.91 1cup s LEU 13 Cb 0.00 -0.19 -0.00 0.00 0.50 0.00 0.00 46.19 46.50 1cup s LEU 13 CO 0.00 -0.26 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.47 1cup s ARG 14 N 2.14 1.88 0.00 1.98 0.52 -0.67 -5.00 118.95 119.80 1cup s ARG 14 Ca 0.05 -0.62 0.24 0.00 -0.52 0.00 0.00 55.73 54.88 1cup s ARG 14 Cb -0.13 -1.61 0.31 0.00 0.52 0.00 0.00 34.95 34.05 1cup s ARG 14 CO -0.04 0.23 1.31 1.28 0.02 0.00 0.00 175.30 178.10 1cup n LEU 15 N 3.22 2.34 -4.48 2.53 4.77 -1.26 0.29 117.00 124.40 1cup n LEU 15 Ca -0.19 -0.80 -0.26 0.00 -0.03 0.00 0.00 56.01 54.74 1cup n LEU 15 Cb 0.53 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1cup n LEU 15 CO 0.25 0.40 -0.48 -0.54 -1.33 0.00 0.00 177.39 175.69 1cup s LYS 16 N -2.17 1.73 0.41 3.23 3.01 -1.26 -1.65 119.74 123.04 1cup s LYS 16 Ca 0.27 -1.47 -0.24 0.00 -1.01 0.00 0.00 55.97 53.51 1cup s LYS 16 Cb 0.20 -1.94 -0.11 0.00 -1.01 0.00 0.00 37.83 34.97 1cup s LYS 16 CO 0.40 0.40 0.99 -0.89 0.51 0.00 0.00 175.35 176.76 1cup n ILE 17 N 0.05 2.38 -4.10 2.17 5.41 -0.96 -4.75 119.36 119.56 1cup n ILE 17 Ca -0.11 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 63.02 1cup n ILE 17 Cb 0.56 -1.12 -0.07 0.00 -0.71 0.00 0.00 39.64 38.31 1cup n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1cup s TYR 18 N -1.27 0.86 -0.12 1.39 -0.85 0.65 -4.94 117.35 113.07 1cup s TYR 18 Ca 0.63 -1.12 -0.04 0.00 -0.52 0.00 0.00 57.07 56.01 1cup s TYR 18 Cb -0.57 -0.15 -0.04 0.00 0.38 0.00 0.00 41.96 41.58 1cup s TYR 18 CO 0.57 -0.92 0.05 0.15 -1.52 0.00 0.00 175.55 173.88 1cup s LYS 19 N -3.77 3.35 0.00 -3.49 1.02 -1.26 0.31 119.74 115.90 1cup s LYS 19 Ca 0.31 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.97 1cup s LYS 19 Cb 0.02 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 1cup s LYS 19 CO 0.14 0.61 0.00 -0.40 -0.92 0.00 0.00 175.35 174.78 1cup n ASP 20 N 2.47 -0.04 0.29 2.83 3.85 0.18 -4.80 116.55 121.32 1cup n ASP 20 Ca -0.18 -0.83 0.18 0.00 -0.71 0.00 0.00 54.79 53.24 1cup n ASP 20 Cb 0.54 0.00 0.82 0.00 -1.35 0.00 0.00 41.12 41.13 1cup n ASP 20 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1cup h THR 21 N -0.88 0.10 -0.02 2.12 1.35 -1.99 -1.13 112.91 112.46 1cup h THR 21 Ca 0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1cup h THR 21 Cb 0.00 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1cup h THR 21 CO 0.00 0.03 -0.13 -0.62 -0.25 0.00 0.00 175.52 174.54 1cup n GLU 22 N -3.17 1.69 -0.72 4.72 -0.58 -1.26 -4.95 120.64 116.37 1cup n GLU 22 Ca -0.01 -1.25 0.00 0.00 -0.42 0.00 0.00 57.16 55.49 1cup n GLU 22 Cb 0.24 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1cup n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cup n GLY 23 N 1.31 0.58 3.88 0.62 0.00 -0.43 -5.07 105.19 106.08 1cup n GLY 23 Ca 0.14 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1cup n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cup s TYR 24 N -2.00 3.45 0.10 1.61 4.12 -1.26 -4.65 117.35 118.71 1cup s TYR 24 Ca 0.00 0.73 -0.31 0.00 0.02 0.00 0.00 57.07 57.51 1cup s TYR 24 Cb 0.00 -2.15 -0.07 0.00 -1.52 0.00 0.00 41.96 38.22 1cup s TYR 24 CO 0.00 0.34 1.33 0.71 0.02 0.00 0.00 175.55 177.95 1cup s TYR 25 N -1.75 3.30 0.22 2.71 4.12 -1.22 0.48 117.35 125.21 1cup s TYR 25 Ca 0.45 1.06 -0.03 0.00 0.02 0.00 0.00 57.07 58.57 1cup s TYR 25 Cb -0.12 -3.60 -0.03 0.00 -1.52 0.00 0.00 41.96 36.69 1cup s TYR 25 CO 0.23 -2.04 0.20 0.99 0.02 0.00 0.00 175.55 174.95 1cup s THR 26 N 1.08 0.00 0.25 -0.71 2.01 0.15 -0.51 115.64 117.91 1cup s THR 26 Ca 0.63 -1.89 -0.18 0.00 0.31 0.00 0.00 61.69 60.56 1cup s THR 26 Cb -0.35 -2.45 0.01 0.00 0.01 0.00 0.00 72.50 69.73 1cup s THR 26 CO 0.30 0.00 0.61 -0.51 -0.69 0.00 0.00 174.62 174.33 1cup s ILE 27 N -4.09 0.00 0.00 1.82 2.07 -0.53 -0.26 121.20 120.21 1cup s ILE 27 Ca 0.36 -1.07 0.00 0.00 -1.41 0.00 0.00 60.65 58.52 1cup s ILE 27 Cb 0.05 -1.98 0.00 0.00 0.13 0.00 0.00 42.46 40.67 1cup s ILE 27 CO 0.12 -0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.74 1cup n GLY 28 N -0.41 2.49 2.77 1.50 0.00 0.14 -1.51 105.19 110.18 1cup n GLY 28 Ca -0.04 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 1cup n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1cup n ILE 29 N 0.00 3.77 -1.56 -0.61 5.41 -1.26 -1.67 119.36 123.44 1cup n ILE 29 Ca 0.00 -5.53 -0.08 0.00 1.00 0.00 0.00 62.75 58.15 1cup n ILE 29 Cb 0.00 -2.13 -0.02 0.00 -0.71 0.00 0.00 39.64 36.78 1cup n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1cup n GLY 30 N 1.26 0.65 3.56 7.39 0.00 -1.24 -4.93 105.19 111.87 1cup n GLY 30 Ca 0.27 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1cup n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1cup s HIS 31 N -2.33 2.85 0.03 1.61 5.04 -0.57 -4.92 115.29 117.01 1cup s HIS 31 Ca 0.00 0.29 -0.30 0.00 -1.54 0.00 0.00 55.06 53.51 1cup s HIS 31 Cb 0.00 -4.08 -0.07 0.00 0.04 0.00 0.00 32.58 28.47 1cup s HIS 31 CO 0.00 -1.23 1.52 -1.17 -2.34 0.00 0.00 174.74 171.52 1cup s LEU 32 N 3.97 4.34 -0.18 8.88 2.96 -1.26 -1.46 118.68 135.93 1cup s LEU 32 Ca 0.36 2.28 -0.20 0.00 -0.22 0.00 0.00 54.13 56.35 1cup s LEU 32 Cb -0.10 -3.56 -0.17 0.00 0.50 0.00 0.00 46.19 42.86 1cup s LEU 32 CO 0.25 -0.80 0.26 -0.07 -1.32 0.00 0.00 176.35 174.67 1cup h LEU 33 N 8.50 0.00 -7.00 -0.68 3.38 -1.14 -3.48 115.31 114.89 1cup h LEU 33 Ca -0.40 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.05 1cup h LEU 33 Cb 1.19 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 1cup h LEU 33 CO 0.92 1.20 0.25 0.28 0.09 0.00 0.00 178.44 181.18 1cup s THR 34 N -2.26 0.00 -1.11 0.22 -1.32 -1.19 -4.93 115.64 105.06 1cup s THR 34 Ca -0.23 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.49 1cup s THR 34 Cb 0.03 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.95 1cup s THR 34 CO 0.52 0.00 1.20 0.29 -2.21 0.00 0.00 174.62 174.42 1cup n LYS 35 N 0.06 0.12 -2.02 7.08 5.02 -1.26 -3.44 118.16 123.72 1cup n LYS 35 Ca -0.16 -0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 55.70 1cup n LYS 35 Cb 0.62 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.15 1cup n LYS 35 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1cup s SER 36 N -2.94 5.46 0.00 4.39 1.04 -1.26 -4.89 113.70 115.50 1cup s SER 36 Ca 0.11 2.07 0.26 0.00 0.48 0.00 0.00 55.95 58.87 1cup s SER 36 Cb 0.17 -2.56 1.21 0.00 0.10 0.00 0.00 66.02 64.94 1cup s SER 36 CO 0.75 -1.39 1.86 -2.65 0.98 0.00 0.00 173.24 172.79 1cup n PRO 37 N -1.84 0.16 -3.04 4.02 -0.02 -1.26 -4.72 135.00 128.30 1cup n PRO 37 Ca 0.11 0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 1cup n PRO 37 Cb 0.52 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.44 1cup n PRO 37 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1cup s SER 38 N -2.81 6.73 0.36 2.55 0.15 -1.26 -4.96 113.70 114.46 1cup s SER 38 Ca 0.18 0.90 0.14 0.00 0.70 0.00 0.00 55.95 57.86 1cup s SER 38 Cb 0.17 -2.38 0.70 0.00 -1.71 0.00 0.00 66.02 62.81 1cup s SER 38 CO 0.44 -0.35 1.80 0.25 1.20 0.00 0.00 173.24 176.58 1cup h LEU 39 N 8.52 0.00 -0.20 3.45 5.85 -1.99 -1.84 115.31 129.10 1cup h LEU 39 Ca -0.29 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.34 1cup h LEU 39 Cb 1.13 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1cup h LEU 39 CO 0.80 0.40 -0.24 0.78 -0.34 0.00 0.00 178.44 179.83 1cup h ASN 40 N 0.00 0.56 -0.94 1.25 2.35 -1.98 0.02 115.58 116.83 1cup h ASN 40 Ca -0.00 -0.50 0.17 0.00 -0.55 0.00 0.00 56.30 55.42 1cup h ASN 40 Cb 0.72 -0.16 -0.08 0.00 0.05 0.00 0.00 38.32 38.86 1cup h ASN 40 CO 0.05 0.94 0.60 0.00 -1.65 0.00 0.00 177.43 177.37 1cup h ALA 41 N 0.63 1.86 -0.39 -0.83 0.00 -1.81 0.07 119.26 118.79 1cup h ALA 41 Ca 0.03 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1cup h ALA 41 Cb 0.81 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1cup h ALA 41 CO 0.06 -0.15 -0.32 0.00 0.00 0.00 0.00 179.25 178.84 1cup h ALA 42 N 1.61 0.71 -0.12 0.00 0.00 -0.98 -1.78 119.26 118.69 1cup h ALA 42 Ca 0.49 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1cup h ALA 42 Cb 0.87 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1cup h ALA 42 CO -0.25 0.66 -0.36 0.87 0.00 0.00 0.00 179.25 180.17 1cup h LYS 43 N 0.72 0.24 -0.09 0.00 1.57 0.14 0.84 116.57 120.00 1cup h LYS 43 Ca 0.08 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1cup h LYS 43 Cb 0.88 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1cup h LYS 43 CO 0.08 0.58 -0.01 1.03 -0.57 0.00 0.00 179.45 180.56 1cup h SER 44 N 0.21 0.17 -0.85 0.86 0.87 -0.85 -1.31 113.55 112.65 1cup h SER 44 Ca 0.02 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 1cup h SER 44 Cb 0.74 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.62 1cup h SER 44 CO 0.06 0.47 0.51 -0.33 -0.53 0.00 0.00 176.83 177.01 1cup h GLU 45 N -0.14 1.16 -0.42 2.24 4.39 -1.19 -1.28 114.58 119.33 1cup h GLU 45 Ca 0.02 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.64 1cup h GLU 45 Cb 0.39 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1cup h GLU 45 CO 0.01 0.81 0.24 1.25 -1.16 0.00 0.00 179.01 180.16 1cup h LEU 46 N 1.17 0.39 -0.56 1.33 5.85 -0.40 -0.68 115.31 122.41 1cup h LEU 46 Ca 0.31 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.89 1cup h LEU 46 Cb -0.04 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1cup h LEU 46 CO -0.06 0.28 -0.34 0.44 -0.34 0.00 0.00 178.44 178.42 1cup h ASP 47 N 0.49 0.82 -0.39 1.25 3.32 -0.80 -1.33 116.42 119.78 1cup h ASP 47 Ca 0.17 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 1cup h ASP 47 Cb 0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1cup h ASP 47 CO -0.08 1.08 0.05 0.50 -1.72 0.00 0.00 179.24 179.08 1cup h LYS 48 N 0.65 0.74 -0.12 3.56 3.64 -1.02 0.60 116.57 124.62 1cup h LYS 48 Ca 0.07 -0.17 -0.17 0.00 -1.27 0.00 0.00 60.65 59.10 1cup h LYS 48 Cb 0.89 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1cup h LYS 48 CO 0.08 0.71 -0.65 0.00 -2.27 0.00 0.00 179.45 177.32 1cup h ALA 49 N 1.36 0.63 0.00 5.00 0.00 -0.46 -3.29 119.26 122.50 1cup h ALA 49 Ca 0.15 -0.56 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 1cup h ALA 49 Cb 0.35 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1cup h ALA 49 CO 0.01 0.72 -1.58 -0.89 0.00 0.00 0.00 179.25 177.51 1cup n ILE 50 N -3.90 1.35 -1.05 0.00 2.08 -0.56 -5.00 119.36 112.28 1cup n ILE 50 Ca -0.04 -0.74 0.00 0.00 0.56 0.00 0.00 62.75 62.53 1cup n ILE 50 Cb 0.66 -0.84 0.00 0.00 -0.75 0.00 0.00 39.64 38.72 1cup n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1cup n GLY 51 N 1.47 0.84 3.76 7.39 0.00 0.21 -5.05 105.19 113.81 1cup n GLY 51 Ca -0.13 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 1cup n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cup s ARG 52 N -2.34 1.53 -0.61 1.61 1.70 -1.08 -5.05 118.95 114.70 1cup s ARG 52 Ca 0.00 -0.81 -0.27 0.00 -0.47 0.00 0.00 55.73 54.19 1cup s ARG 52 Cb 0.00 0.55 0.03 0.00 -0.57 0.00 0.00 34.95 34.96 1cup s ARG 52 CO 0.00 -0.70 1.14 1.21 -1.08 0.00 0.00 175.30 175.88 1cup s ASN 53 N -2.88 6.35 -0.06 -2.89 2.47 -1.26 -4.40 114.94 112.27 1cup s ASN 53 Ca 0.10 -0.16 0.12 0.00 0.42 0.00 0.00 52.86 53.34 1cup s ASN 53 Cb -0.04 -2.52 -0.23 0.00 -1.45 0.00 0.00 41.25 37.00 1cup s ASN 53 CO 0.02 -1.50 0.59 0.35 -3.72 0.00 0.00 177.10 172.85 1cup n THR 54 N 6.47 1.60 -2.59 -5.21 -2.24 -1.26 -4.97 114.28 106.07 1cup n THR 54 Ca 0.05 -0.80 -0.16 0.00 -2.27 0.00 0.00 64.05 60.88 1cup n THR 54 Cb 0.48 -1.01 0.01 0.00 -2.10 0.00 0.00 70.33 67.72 1cup n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cup n ASN 55 N -3.03 -4.79 0.00 3.42 5.15 -1.26 -2.92 115.26 111.83 1cup n ASN 55 Ca -0.19 -0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 1cup n ASN 55 Cb 1.06 -3.77 0.00 0.00 -0.53 0.00 0.00 39.78 36.54 1cup n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cup n GLY 56 N -1.19 0.67 3.20 8.20 0.00 -1.26 -5.01 105.19 109.81 1cup n GLY 56 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1cup n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cup s VAL 57 N -2.87 1.52 0.25 1.61 1.01 -1.15 -2.27 120.40 118.50 1cup s VAL 57 Ca 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1cup s VAL 57 Cb 0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1cup s VAL 57 CO 0.00 0.34 0.04 0.27 0.00 0.00 0.00 175.10 175.74 1cup s ILE 58 N -0.57 0.91 0.69 2.22 -4.36 -0.66 -4.81 121.20 114.63 1cup s ILE 58 Ca 0.07 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.43 1cup s ILE 58 Cb -0.08 -2.49 0.11 0.00 1.25 0.00 0.00 42.46 41.24 1cup s ILE 58 CO 0.00 -0.19 0.96 0.42 0.24 0.00 0.00 174.94 176.38 1cup s THR 59 N -3.50 2.24 0.16 8.37 -4.23 -1.26 -4.83 115.64 112.59 1cup s THR 59 Ca 0.32 -0.56 -0.12 0.00 -1.18 0.00 0.00 61.69 60.15 1cup s THR 59 Cb 0.07 -2.68 0.04 0.00 1.34 0.00 0.00 72.50 71.27 1cup s THR 59 CO 0.11 0.00 1.64 0.50 -0.54 0.00 0.00 174.62 176.33 1cup h LYS 60 N -0.46 0.91 -0.44 3.99 3.64 -1.99 -0.40 116.57 121.82 1cup h LYS 60 Ca -0.38 -0.25 0.04 0.00 -1.27 0.00 0.00 60.65 58.78 1cup h LYS 60 Cb 1.28 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1cup h LYS 60 CO 0.44 0.89 0.21 -0.44 -2.27 0.00 0.00 179.45 178.27 1cup h ASP 61 N 0.80 0.28 -0.47 4.20 3.32 -1.99 -0.10 116.42 122.46 1cup h ASP 61 Ca 0.16 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1cup h ASP 61 Cb 0.43 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1cup h ASP 61 CO 0.01 0.21 0.22 -0.33 -1.72 0.00 0.00 179.24 177.63 1cup h GLU 62 N 0.41 0.67 -0.44 3.56 5.08 -1.76 -1.12 114.58 120.98 1cup h GLU 62 Ca 0.19 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1cup h GLU 62 Cb 0.12 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1cup h GLU 62 CO -0.15 0.57 0.19 0.00 -1.00 0.00 0.00 179.01 178.62 1cup h ALA 63 N 1.07 0.54 -0.48 3.43 0.00 -0.74 -1.67 119.26 121.41 1cup h ALA 63 Ca 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1cup h ALA 63 Cb 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1cup h ALA 63 CO -0.02 -0.19 0.20 0.93 0.00 0.00 0.00 179.25 180.17 1cup h GLU 64 N 0.38 0.68 -0.36 0.00 5.08 -0.77 0.60 114.58 120.18 1cup h GLU 64 Ca 0.20 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1cup h GLU 64 Cb 0.15 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1cup h GLU 64 CO -0.17 0.55 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.01 1cup h LYS 65 N 0.67 0.75 -0.99 2.33 3.64 -0.65 0.10 116.57 122.43 1cup h LYS 65 Ca 0.17 -0.32 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1cup h LYS 65 Cb 0.12 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 1cup h LYS 65 CO -0.02 0.94 0.65 -0.07 -2.27 0.00 0.00 179.45 178.68 1cup h LEU 66 N 0.54 1.10 -0.50 5.20 3.38 -1.02 -1.57 115.31 122.45 1cup h LEU 66 Ca 0.08 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1cup h LEU 66 Cb 0.71 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1cup h LEU 66 CO 0.05 0.77 0.04 0.15 0.09 0.00 0.00 178.44 179.54 1cup h PHE 67 N 1.29 0.91 -0.72 1.13 -0.00 -0.42 -0.44 116.94 118.69 1cup h PHE 67 Ca 0.38 -0.14 0.05 0.00 -0.00 0.00 0.00 57.97 58.26 1cup h PHE 67 Cb -0.07 -0.24 -0.05 0.00 -0.00 0.00 0.00 35.95 35.58 1cup h PHE 67 CO -0.00 0.85 0.42 -0.91 -0.00 0.00 0.00 178.31 178.67 1cup h ASN 68 N 0.71 0.65 -0.58 0.41 2.35 -0.21 -0.20 115.58 118.71 1cup h ASN 68 Ca 0.15 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 1cup h ASN 68 Cb 0.46 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1cup h ASN 68 CO 0.02 0.42 0.17 1.56 -1.65 0.00 0.00 177.43 177.95 1cup h GLN 69 N 0.78 0.91 -0.33 0.81 4.20 -0.86 -1.68 115.11 118.94 1cup h GLN 69 Ca 0.31 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 1cup h GLN 69 Cb 0.15 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1cup h GLN 69 CO -0.16 0.83 -0.02 -0.44 -0.67 0.00 0.00 178.83 178.37 1cup h ASP 70 N 0.83 0.49 -0.25 1.46 3.32 -0.36 -0.43 116.42 121.49 1cup h ASP 70 Ca 0.19 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1cup h ASP 70 Cb 0.30 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1cup h ASP 70 CO -0.00 0.57 -0.20 0.58 -1.72 0.00 0.00 179.24 178.47 1cup h VAL 71 N 0.50 1.31 -0.65 -1.35 2.07 -0.75 -1.61 116.25 115.77 1cup h VAL 71 Ca 0.11 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.30 1cup h VAL 71 Cb 0.35 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1cup h VAL 71 CO 0.01 0.42 0.43 -0.78 0.02 0.00 0.00 177.57 177.67 1cup h ASP 72 N 0.29 0.74 -0.62 0.57 1.82 -1.12 -0.22 116.42 117.87 1cup h ASP 72 Ca 0.05 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1cup h ASP 72 Cb 0.74 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.53 1cup h ASP 72 CO 0.05 0.53 0.36 0.00 -1.61 0.00 0.00 179.24 178.57 1cup h ALA 73 N 1.25 1.42 -0.41 -0.78 0.00 -0.88 -1.70 119.26 118.15 1cup h ALA 73 Ca 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1cup h ALA 73 Cb -0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1cup h ALA 73 CO -0.06 0.48 0.19 0.00 0.00 0.00 0.00 179.25 179.86 1cup h ALA 74 N 1.50 0.53 -0.23 0.00 0.00 -0.06 0.10 119.26 121.12 1cup h ALA 74 Ca 0.23 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1cup h ALA 74 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1cup h ALA 74 CO -0.04 0.10 0.11 0.28 0.00 0.00 0.00 179.25 179.70 1cup h VAL 75 N 0.53 0.99 -0.20 0.00 2.07 -0.70 -0.94 116.25 117.99 1cup h VAL 75 Ca 0.14 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 1cup h VAL 75 Cb 0.13 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1cup h VAL 75 CO -0.02 0.04 -0.12 0.03 0.02 0.00 0.00 177.57 177.52 1cup h ARG 76 N 0.23 0.32 -0.72 1.57 3.08 -1.12 0.19 114.38 117.93 1cup h ARG 76 Ca 0.09 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1cup h ARG 76 Cb 0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1cup h ARG 76 CO -0.07 0.45 0.28 0.78 -1.07 0.00 0.00 179.97 180.34 1cup h GLY 77 N 0.81 1.15 0.98 0.04 0.00 0.03 -1.29 103.07 104.79 1cup h GLY 77 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1cup h GLY 77 CO 0.02 0.58 0.02 -2.22 0.00 0.00 0.00 176.54 174.95 1cup h ILE 78 N 1.05 1.03 0.00 2.60 2.04 0.01 -2.44 117.51 121.79 1cup h ILE 78 Ca 0.24 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 1cup h ILE 78 Cb 0.21 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1cup h ILE 78 CO -0.02 0.02 -0.13 -0.07 0.00 0.00 0.00 178.15 177.95 1cup h LEU 79 N 0.03 0.00 -0.12 1.44 3.38 -0.51 -1.32 115.31 118.20 1cup h LEU 79 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1cup h LEU 79 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1cup h LEU 79 CO -0.00 0.13 -0.54 0.54 0.09 0.00 0.00 178.44 178.66 1cup n ARG 80 N -3.44 0.19 -3.34 1.13 1.74 -0.53 -4.77 116.66 107.65 1cup n ARG 80 Ca -0.01 -0.12 -0.39 0.00 -0.77 0.00 0.00 57.85 56.56 1cup n ARG 80 Cb 0.31 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.17 1cup n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1cup s ASN 81 N -2.89 6.43 0.52 0.55 3.84 -0.52 -4.94 114.94 117.92 1cup s ASN 81 Ca 0.13 0.51 0.19 0.00 0.21 0.00 0.00 52.86 53.90 1cup s ASN 81 Cb 0.18 -2.25 1.32 0.00 -0.55 0.00 0.00 41.25 39.95 1cup s ASN 81 CO 0.69 -0.15 2.13 0.00 -2.79 0.00 0.00 177.10 176.98 1cup h ALA 82 N 7.63 1.81 0.00 1.71 0.00 -1.89 0.20 119.26 128.73 1cup h ALA 82 Ca -0.34 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1cup h ALA 82 Cb 1.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1cup h ALA 82 CO 0.71 0.06 -0.98 0.87 0.00 0.00 0.00 179.25 179.91 1cup h LYS 83 N 0.00 0.00 0.10 0.00 6.56 -1.92 -3.39 116.57 117.91 1cup h LYS 83 Ca -0.00 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.32 1cup h LYS 83 Cb 0.09 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.74 1cup h LYS 83 CO 0.01 0.31 -1.42 -0.07 -2.06 0.00 0.00 179.45 176.21 1cup h LEU 84 N 0.00 0.32 -0.78 2.94 3.38 -1.63 -3.39 115.31 116.15 1cup h LEU 84 Ca -0.08 -0.82 0.19 0.00 0.09 0.00 0.00 57.88 57.25 1cup h LEU 84 Cb 1.41 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.93 1cup h LEU 84 CO 0.04 1.61 0.13 0.50 0.09 0.00 0.00 178.44 180.82 1cup h LYS 85 N -0.38 0.18 -0.03 1.13 3.64 -0.42 -0.85 116.57 119.85 1cup h LYS 85 Ca -0.32 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1cup h LYS 85 Cb 1.71 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 1cup h LYS 85 CO 0.02 0.12 -0.19 -1.00 -2.27 0.00 0.00 179.45 176.13 1cup h PRO 86 N 0.19 0.04 0.09 1.90 0.14 -1.78 0.87 132.00 133.45 1cup h PRO 86 Ca 0.45 -0.01 -0.00 0.00 0.14 0.00 0.00 66.00 66.58 1cup h PRO 86 Cb 0.83 -0.01 0.00 0.00 0.14 0.00 0.00 31.00 31.96 1cup h PRO 86 CO -0.61 0.24 -0.04 0.28 0.14 0.00 0.00 178.00 178.01 1cup h VAL 87 N 0.04 1.15 -0.53 1.56 2.07 -1.37 -2.00 116.25 117.17 1cup h VAL 87 Ca 0.01 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.63 1cup h VAL 87 Cb 0.37 1.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 1cup h VAL 87 CO 0.03 0.23 0.17 0.22 0.02 0.00 0.00 177.57 178.24 1cup h TYR 88 N -0.57 0.30 -0.28 1.57 5.03 -1.01 0.27 116.97 122.28 1cup h TYR 88 Ca -0.01 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 1cup h TYR 88 Cb 0.47 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 1cup h TYR 88 CO 0.07 0.07 0.03 -0.44 -1.32 0.00 0.00 178.16 176.58 1cup h ASP 89 N 0.34 0.38 1.50 -2.11 3.45 -0.70 -2.43 116.42 116.85 1cup h ASP 89 Ca 0.26 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.67 1cup h ASP 89 Cb 0.31 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1cup h ASP 89 CO -0.29 0.41 0.00 0.77 -1.57 0.00 0.00 179.24 178.57 1cup h SER 90 N 0.40 0.00 -3.67 6.45 4.64 -0.19 -3.47 113.55 117.72 1cup h SER 90 Ca 0.09 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.93 1cup h SER 90 Cb 0.22 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.36 1cup h SER 90 CO 0.00 0.00 0.17 -0.76 -0.87 0.00 0.00 176.83 175.37 1cup s LEU 91 N -5.40 3.32 0.82 5.97 1.43 -0.86 -5.08 118.68 118.88 1cup s LEU 91 Ca 0.07 0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 53.86 1cup s LEU 91 Cb 0.09 -3.65 0.12 0.00 0.03 0.00 0.00 46.19 42.77 1cup s LEU 91 CO 0.59 -0.95 1.15 1.51 0.23 0.00 0.00 176.35 178.88 1cup s ASP 92 N -4.26 4.13 0.21 2.29 1.47 -1.26 -4.78 116.67 114.47 1cup s ASP 92 Ca 0.53 0.37 -0.09 0.00 1.18 0.00 0.00 52.55 54.54 1cup s ASP 92 Cb -0.10 -0.75 0.16 0.00 -0.34 0.00 0.00 42.92 41.88 1cup s ASP 92 CO 0.45 -2.08 1.85 0.00 0.68 0.00 0.00 175.17 176.08 1cup h ALA 93 N -1.04 1.00 -0.47 2.11 0.00 -1.97 -0.42 119.26 118.47 1cup h ALA 93 Ca -0.44 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 1cup h ALA 93 Cb 1.29 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1cup h ALA 93 CO 0.52 0.47 -0.07 0.28 0.00 0.00 0.00 179.25 180.45 1cup h VAL 94 N 1.08 1.27 -0.17 0.00 2.07 -1.95 -2.71 116.25 115.84 1cup h VAL 94 Ca 0.28 -1.18 -0.10 0.00 0.82 0.00 0.00 66.70 66.52 1cup h VAL 94 Cb -0.04 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1cup h VAL 94 CO -0.05 0.41 -0.35 0.03 0.02 0.00 0.00 177.57 177.63 1cup h ARG 95 N 0.72 0.34 -0.84 1.57 3.08 -1.77 -1.62 114.38 115.85 1cup h ARG 95 Ca 0.12 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 60.09 1cup h ARG 95 Cb 0.61 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 1cup h ARG 95 CO 0.04 0.65 0.55 0.00 -1.07 0.00 0.00 179.97 180.14 1cup h ARG 96 N 0.30 0.90 -0.60 0.04 3.08 -0.93 -1.35 114.38 115.82 1cup h ARG 96 Ca 0.04 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1cup h ARG 96 Cb 0.75 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1cup h ARG 96 CO 0.06 0.60 0.27 0.00 -1.07 0.00 0.00 179.97 179.83 1cup h ALA 97 N 1.54 1.36 -0.18 0.04 0.00 -0.99 0.18 119.26 121.21 1cup h ALA 97 Ca 0.36 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1cup h ALA 97 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1cup h ALA 97 CO -0.13 0.50 -0.33 0.00 0.00 0.00 0.00 179.25 179.29 1cup h ALA 98 N 1.46 1.11 -0.14 0.00 0.00 -0.82 -0.60 119.26 120.27 1cup h ALA 98 Ca 0.21 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1cup h ALA 98 Cb 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1cup h ALA 98 CO -0.02 0.56 -0.66 1.25 0.00 0.00 0.00 179.25 180.37 1cup h LEU 99 N 0.32 0.63 -0.71 0.00 5.85 -0.91 -2.24 115.31 118.26 1cup h LEU 99 Ca 0.04 -0.38 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1cup h LEU 99 Cb 0.73 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1cup h LEU 99 CO 0.06 1.12 0.19 0.24 -0.34 0.00 0.00 178.44 179.71 1cup h MET 100 N 0.39 1.12 -0.45 1.25 2.86 -0.41 -0.73 114.93 118.97 1cup h MET 100 Ca -0.02 -0.26 0.05 0.00 -2.06 0.00 0.00 59.70 57.41 1cup h MET 100 Cb 1.24 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 1cup h MET 100 CO 0.12 0.98 0.20 -0.97 1.06 0.00 0.00 176.91 178.30 1cup h ASN 101 N 1.06 0.26 -0.76 1.22 -0.73 -0.93 0.29 115.58 115.99 1cup h ASN 101 Ca 0.22 0.04 -0.06 0.00 1.87 0.00 0.00 56.30 58.37 1cup h ASN 101 Cb 0.35 -0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.90 1cup h ASN 101 CO -0.00 0.18 0.25 0.24 -0.37 0.00 0.00 177.43 177.73 1cup h MET 102 N 0.40 1.17 -0.07 6.67 2.86 -1.11 -1.79 114.93 123.06 1cup h MET 102 Ca 0.20 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1cup h MET 102 Cb 0.15 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1cup h MET 102 CO -0.17 0.98 -0.32 0.28 1.06 0.00 0.00 176.91 178.75 1cup h VAL 103 N 1.12 1.25 -0.15 -2.22 2.07 0.33 -1.09 116.25 117.56 1cup h VAL 103 Ca 0.24 -1.20 -0.14 0.00 0.82 0.00 0.00 66.70 66.43 1cup h VAL 103 Cb 0.30 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1cup h VAL 103 CO -0.01 0.35 -0.51 0.15 0.02 0.00 0.00 177.57 177.57 1cup h PHE 104 N 0.11 0.52 0.05 1.57 3.04 0.11 0.59 116.94 122.93 1cup h PHE 104 Ca 0.01 -0.17 -0.22 0.00 3.98 0.00 0.00 57.97 61.57 1cup h PHE 104 Cb 0.62 -0.10 0.02 0.00 2.56 0.00 0.00 35.95 39.05 1cup h PHE 104 CO 0.01 0.85 -0.89 0.37 -2.02 0.00 0.00 178.31 176.63 1cup h GLN 105 N 0.33 0.50 -0.01 1.11 4.15 -0.90 -3.38 115.11 116.91 1cup h GLN 105 Ca 0.01 -0.61 0.00 0.00 0.77 0.00 0.00 58.65 58.82 1cup h GLN 105 Cb 1.01 0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1cup h GLN 105 CO 0.09 1.24 0.00 0.00 -1.93 0.00 0.00 178.83 178.23 1cup n MET 106 N -4.03 -0.41 -0.16 1.69 0.00 -0.45 -5.11 117.12 108.65 1cup n MET 106 Ca -0.12 -0.69 0.01 0.00 0.00 0.00 0.00 57.70 56.90 1cup n MET 106 Cb 0.82 -1.03 -0.01 0.00 0.00 0.00 0.00 33.22 33.00 1cup n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1cup n GLY 107 N 0.04 -2.81 0.38 3.17 0.00 0.19 -3.51 105.19 102.65 1cup n GLY 107 Ca 0.01 -1.34 -0.02 0.00 0.00 0.00 0.00 46.02 44.67 1cup n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cup h GLU 108 N -0.08 1.31 -0.38 1.61 4.81 -1.92 -1.56 114.58 118.37 1cup h GLU 108 Ca -0.01 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 1cup h GLU 108 Cb 0.13 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1cup h GLU 108 CO 0.00 0.88 -0.09 1.15 -0.73 0.00 0.00 179.01 180.23 1cup h THR 109 N 1.35 1.28 -0.61 0.32 2.02 -1.96 -1.35 112.91 113.95 1cup h THR 109 Ca 0.36 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1cup h THR 109 Cb -0.12 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1cup h THR 109 CO -0.07 0.39 0.36 1.23 0.37 0.00 0.00 175.52 177.80 1cup h GLY 110 N 0.55 0.89 1.66 2.16 0.00 -1.35 -2.88 103.07 104.10 1cup h GLY 110 Ca 0.10 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 1cup h GLY 110 CO 0.04 0.37 -0.61 -2.08 0.00 0.00 0.00 176.54 174.26 1cup h VAL 111 N 0.82 1.37 0.00 4.60 2.07 -1.28 -2.87 116.25 120.95 1cup h VAL 111 Ca 0.22 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.79 1cup h VAL 111 Cb -0.01 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1cup h VAL 111 CO -0.04 0.59 -0.01 0.00 0.02 0.00 0.00 177.57 178.13 1cup h ALA 112 N 1.09 1.08 0.00 1.67 0.00 -1.03 -0.36 119.26 121.72 1cup h ALA 112 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cup h ALA 112 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1cup h ALA 112 CO 0.10 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1cup n GLY 113 N -0.97 -0.93 2.57 0.00 0.00 -1.08 -3.80 105.19 100.97 1cup n GLY 113 Ca -0.03 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1cup n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cup n PHE 114 N -1.04 2.40 -0.05 1.61 3.72 -0.14 -4.72 117.46 119.24 1cup n PHE 114 Ca 0.20 -2.46 -0.08 0.00 -0.05 0.00 0.00 57.45 55.06 1cup n PHE 114 Cb 0.11 -1.50 -0.02 0.00 -0.94 0.00 0.00 39.48 37.14 1cup n PHE 114 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1cup h THR 115 N 2.28 0.41 -0.72 4.37 2.02 -1.81 -0.39 112.91 119.08 1cup h THR 115 Ca 0.57 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.68 1cup h THR 115 Cb 0.39 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1cup h THR 115 CO 1.25 0.00 0.17 0.78 0.37 0.00 0.00 175.52 178.09 1cup h ASN 116 N -0.24 1.09 -0.66 4.18 2.35 -1.94 -2.43 115.58 117.93 1cup h ASN 116 Ca 0.14 -0.23 -0.09 0.00 -0.55 0.00 0.00 56.30 55.56 1cup h ASN 116 Cb 0.45 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1cup h ASN 116 CO -0.38 1.04 0.08 0.28 -1.65 0.00 0.00 177.43 176.81 1cup h SER 117 N 1.09 1.08 -0.57 5.81 0.02 -1.70 -2.54 113.55 116.74 1cup h SER 117 Ca 0.22 -0.27 0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1cup h SER 117 Cb 0.38 -0.29 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 1cup h SER 117 CO 0.00 1.08 0.25 -0.07 -1.14 0.00 0.00 176.83 176.95 1cup h LEU 118 N 1.04 0.31 -0.95 5.07 3.38 -1.02 0.13 115.31 123.25 1cup h LEU 118 Ca 0.20 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1cup h LEU 118 Cb 0.48 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1cup h LEU 118 CO 0.02 0.20 0.51 -0.09 0.09 0.00 0.00 178.44 179.17 1cup h ARG 119 N 0.46 1.24 -0.35 1.13 2.43 -1.18 0.95 114.38 119.06 1cup h ARG 119 Ca 0.27 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 1cup h ARG 119 Cb 0.26 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1cup h ARG 119 CO -0.23 0.89 -0.28 0.52 -1.51 0.00 0.00 179.97 179.36 1cup h MET 120 N 1.25 0.74 -0.45 0.20 2.86 -1.01 0.50 114.93 119.02 1cup h MET 120 Ca 0.32 -0.33 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1cup h MET 120 Cb -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1cup h MET 120 CO -0.05 0.94 -0.28 -0.07 1.06 0.00 0.00 176.91 178.50 1cup h LEU 121 N 0.64 1.02 -1.54 1.22 3.38 0.08 -1.82 115.31 118.29 1cup h LEU 121 Ca 0.08 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1cup h LEU 121 Cb 0.80 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1cup h LEU 121 CO 0.07 1.22 0.32 -0.61 0.09 0.00 0.00 178.44 179.53 1cup h GLN 122 N 0.83 0.62 -0.00 1.13 4.15 -0.22 -0.29 115.11 121.32 1cup h GLN 122 Ca 0.09 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1cup h GLN 122 Cb 0.87 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1cup h GLN 122 CO 0.08 0.41 -0.04 1.04 -1.93 0.00 0.00 178.83 178.39 1cup n GLN 123 N -4.47 0.19 -2.31 1.69 6.02 0.11 -4.90 117.38 113.71 1cup n GLN 123 Ca 0.04 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.93 1cup n GLN 123 Cb 0.06 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.82 1cup n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1cup n LYS 124 N -1.39 -1.16 -2.94 -1.09 5.02 -0.12 -4.96 118.16 111.53 1cup n LYS 124 Ca 0.10 0.40 -0.44 0.00 -2.02 0.00 0.00 58.31 56.35 1cup n LYS 124 Cb 0.30 -4.28 0.00 0.00 -0.02 0.00 0.00 35.03 31.03 1cup n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1cup n ARG 125 N -1.91 3.72 0.06 1.97 1.74 -0.88 -4.91 116.66 116.44 1cup n ARG 125 Ca -0.08 -4.10 -0.11 0.00 -0.77 0.00 0.00 57.85 52.78 1cup n ARG 125 Cb 0.57 -2.77 -0.04 0.00 -1.02 0.00 0.00 32.46 29.20 1cup n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1cup h TRP 126 N 6.33 -0.63 -0.65 -1.55 -0.00 -1.90 -0.76 115.95 116.79 1cup h TRP 126 Ca 0.27 0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 59.10 1cup h TRP 126 Cb 0.76 0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 30.18 1cup h TRP 126 CO 1.02 -0.33 0.08 -0.44 -0.00 0.00 0.00 178.44 178.77 1cup h ASP 127 N -0.37 1.05 -0.74 -3.49 5.19 -1.91 -1.82 116.42 114.33 1cup h ASP 127 Ca 0.06 -0.26 -0.06 0.00 -0.62 0.00 0.00 57.03 56.15 1cup h ASP 127 Cb 0.45 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.65 1cup h ASP 127 CO -0.21 1.06 0.25 -0.33 -3.12 0.00 0.00 179.24 176.88 1cup h GLU 128 N 1.02 1.15 -0.70 3.56 5.08 -1.94 -1.51 114.58 121.23 1cup h GLU 128 Ca 0.19 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1cup h GLU 128 Cb 0.47 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1cup h GLU 128 CO 0.02 0.97 0.25 0.00 -1.00 0.00 0.00 179.01 179.25 1cup h ALA 129 N 1.13 1.13 -0.69 3.43 0.00 -0.79 -1.70 119.26 121.76 1cup h ALA 129 Ca 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1cup h ALA 129 Cb 0.29 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1cup h ALA 129 CO -0.01 0.62 0.34 0.00 0.00 0.00 0.00 179.25 180.20 1cup h ALA 130 N 1.25 0.90 -0.23 0.00 0.00 -0.94 0.76 119.26 120.99 1cup h ALA 130 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1cup h ALA 130 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1cup h ALA 130 CO -0.02 0.45 0.02 0.28 0.00 0.00 0.00 179.25 179.98 1cup h VAL 131 N 0.97 1.24 -0.69 0.00 2.07 -1.05 -2.84 116.25 115.95 1cup h VAL 131 Ca 0.24 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1cup h VAL 131 Cb 0.11 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1cup h VAL 131 CO -0.03 0.26 0.32 -1.13 0.02 0.00 0.00 177.57 177.02 1cup h ASN 132 N 0.18 0.91 -0.00 0.57 -0.73 -0.60 -2.47 115.58 113.44 1cup h ASN 132 Ca 0.07 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.10 1cup h ASN 132 Cb 0.37 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 38.73 1cup h ASN 132 CO 0.01 0.79 0.00 -0.07 -0.37 0.00 0.00 177.43 177.80 1cup h LEU 133 N 0.96 0.00 -0.42 0.34 3.38 0.63 -2.23 115.31 117.97 1cup h LEU 133 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1cup h LEU 133 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1cup h LEU 133 CO -0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.50 1cup h ALA 134 N 2.00 1.00 -0.55 1.53 0.00 -1.20 -3.35 119.26 118.70 1cup h ALA 134 Ca 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 54.91 54.17 1cup h ALA 134 Cb 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.69 1cup h ALA 134 CO -0.00 0.00 2.49 1.63 0.00 0.00 0.00 179.25 183.37 1cup n LYS 135 N -2.58 3.39 -3.62 0.00 5.02 -0.84 -4.67 118.16 114.86 1cup n LYS 135 Ca 0.04 -3.16 -0.12 0.00 -2.02 0.00 0.00 58.31 53.05 1cup n LYS 135 Cb 0.38 -3.04 -0.05 0.00 -0.02 0.00 0.00 35.03 32.31 1cup n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1cup s SER 136 N 1.69 -0.30 0.28 4.39 1.04 -1.26 -5.02 113.70 114.53 1cup s SER 136 Ca 0.44 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1cup s SER 136 Cb 0.12 0.47 0.41 0.00 0.10 0.00 0.00 66.02 67.12 1cup s SER 136 CO -0.03 -0.79 1.79 -0.09 0.98 0.00 0.00 173.24 175.10 1cup h ARG 137 N 2.59 0.69 -0.69 4.02 2.43 -1.92 -2.52 114.38 118.97 1cup h ARG 137 Ca -0.33 -0.18 0.12 0.00 -0.81 0.00 0.00 59.98 58.78 1cup h ARG 137 Cb 1.24 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 30.62 1cup h ARG 137 CO 0.45 0.72 0.27 2.35 -1.51 0.00 0.00 179.97 182.25 1cup h TRP 138 N 0.65 0.46 -0.28 2.20 7.01 -1.94 0.38 115.95 124.43 1cup h TRP 138 Ca 0.13 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 61.01 1cup h TRP 138 Cb 0.43 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1cup h TRP 138 CO 0.02 0.08 -0.42 -0.92 -2.79 0.00 0.00 178.44 174.41 1cup h TYR 139 N 0.43 0.96 0.00 2.65 3.20 -1.75 -1.27 116.97 121.20 1cup h TYR 139 Ca 0.37 -0.33 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1cup h TYR 139 Cb 0.51 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1cup h TYR 139 CO -0.17 1.12 -0.38 -0.91 -1.64 0.00 0.00 178.16 176.18 1cup h ASN 140 N 0.53 0.00 0.17 -2.11 4.21 -0.89 -2.08 115.58 115.41 1cup h ASN 140 Ca 0.03 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.23 1cup h ASN 140 Cb 1.02 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.23 1cup h ASN 140 CO 0.10 0.38 -1.51 1.56 -1.29 0.00 0.00 177.43 176.67 1cup h GLN 141 N 0.00 0.35 -2.11 0.81 1.08 -0.17 -3.39 115.11 111.68 1cup h GLN 141 Ca -0.00 -0.60 -0.58 0.00 -1.45 0.00 0.00 58.65 56.02 1cup h GLN 141 Cb 0.80 0.22 -0.41 0.00 -0.05 0.00 0.00 27.48 28.04 1cup h GLN 141 CO 0.05 1.29 -0.84 0.25 -0.95 0.00 0.00 178.83 178.63 1cup n THR 142 N -3.78 1.01 -0.32 -0.54 -2.24 -0.49 -4.97 114.28 102.95 1cup n THR 142 Ca -0.23 -4.71 0.03 0.00 -2.27 0.00 0.00 64.05 56.87 1cup n THR 142 Cb 0.99 -1.92 0.18 0.00 -2.10 0.00 0.00 70.33 67.48 1cup n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1cup h PRO 143 N 3.98 0.89 -0.39 -0.78 0.13 -1.56 -0.48 132.00 133.80 1cup h PRO 143 Ca 0.14 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 65.08 1cup h PRO 143 Cb 0.76 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1cup h PRO 143 CO 0.66 0.59 -0.28 -0.91 -0.23 0.00 0.00 178.00 177.83 1cup h ASN 144 N 0.92 0.92 -0.09 1.44 2.35 -1.93 -0.07 115.58 119.12 1cup h ASN 144 Ca 0.42 -0.44 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1cup h ASN 144 Cb 0.33 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1cup h ASN 144 CO -0.23 1.16 -0.04 -0.09 -1.65 0.00 0.00 177.43 176.58 1cup h ARG 145 N 0.68 0.18 -0.98 0.81 2.43 -1.95 -2.19 114.38 113.36 1cup h ARG 145 Ca 0.07 -0.08 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1cup h ARG 145 Cb 0.86 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.33 1cup h ARG 145 CO 0.08 0.54 0.62 0.00 -1.51 0.00 0.00 179.97 179.69 1cup h ALA 146 N 0.64 1.41 -1.01 2.80 0.00 -0.99 -0.89 119.26 121.21 1cup h ALA 146 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1cup h ALA 146 Cb 0.48 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1cup h ALA 146 CO 0.01 0.31 0.65 0.87 0.00 0.00 0.00 179.25 181.10 1cup h LYS 147 N 1.05 1.17 -0.50 0.00 1.57 -0.82 0.37 116.57 119.42 1cup h LYS 147 Ca 0.45 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.13 1cup h LYS 147 Cb 0.32 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1cup h LYS 147 CO -0.22 0.77 0.18 0.00 -0.57 0.00 0.00 179.45 179.61 1cup h ARG 148 N 1.20 0.76 -0.43 3.15 3.08 -0.54 0.82 114.38 122.43 1cup h ARG 148 Ca 0.43 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 60.19 1cup h ARG 148 Cb 0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1cup h ARG 148 CO -0.16 0.70 -0.26 0.28 -1.07 0.00 0.00 179.97 179.46 1cup h VAL 149 N 0.67 1.27 -0.26 2.04 2.07 -0.76 -1.88 116.25 119.40 1cup h VAL 149 Ca 0.16 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 1cup h VAL 149 Cb 0.24 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1cup h VAL 149 CO -0.01 0.48 0.15 0.40 0.02 0.00 0.00 177.57 178.61 1cup h ILE 150 N 0.76 1.11 -0.43 4.57 2.04 -0.87 -1.54 117.51 123.16 1cup h ILE 150 Ca 0.09 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1cup h ILE 150 Cb 0.83 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1cup h ILE 150 CO 0.07 0.11 0.28 0.74 0.00 0.00 0.00 178.15 179.35 1cup h THR 151 N 0.31 1.11 -0.59 -0.27 2.02 -0.67 0.59 112.91 115.41 1cup h THR 151 Ca 0.09 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1cup h THR 151 Cb 0.05 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1cup h THR 151 CO -0.02 0.11 0.14 0.74 0.37 0.00 0.00 175.52 176.86 1cup h THR 152 N 0.58 1.25 -0.17 3.16 2.02 -0.70 -1.06 112.91 117.99 1cup h THR 152 Ca 0.16 -0.91 -0.17 0.00 0.77 0.00 0.00 66.41 66.26 1cup h THR 152 Cb -0.07 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1cup h THR 152 CO -0.03 0.34 -0.59 -0.26 0.37 0.00 0.00 175.52 175.35 1cup h PHE 153 N 0.85 0.72 -0.56 3.16 0.05 -0.48 0.75 116.94 121.44 1cup h PHE 153 Ca 0.18 -0.27 -0.07 0.00 3.82 0.00 0.00 57.97 61.64 1cup h PHE 153 Cb 0.36 -0.13 -0.02 0.00 2.00 0.00 0.00 35.95 38.15 1cup h PHE 153 CO 0.03 1.02 0.08 -0.09 -0.18 0.00 0.00 178.31 179.16 1cup h ARG 154 N 0.43 0.93 0.00 1.51 2.43 -0.75 -3.35 114.38 115.58 1cup h ARG 154 Ca -0.00 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1cup h ARG 154 Cb 1.15 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1cup h ARG 154 CO 0.11 0.90 -1.53 0.25 -1.51 0.00 0.00 179.97 178.20 1cup n THR 155 N -4.33 0.00 -1.45 0.20 -2.24 -0.41 -4.79 114.28 101.25 1cup n THR 155 Ca 0.02 -0.29 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 1cup n THR 155 Cb 0.28 0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 1cup n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cup n GLY 156 N 1.39 1.53 3.64 3.38 0.00 0.25 -4.97 105.19 110.41 1cup n GLY 156 Ca -0.01 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1cup n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cup s THR 157 N -2.44 0.85 -0.93 2.61 -4.23 -1.26 -4.79 115.64 105.45 1cup s THR 157 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 1cup s THR 157 Cb 0.00 -2.24 0.68 0.00 1.34 0.00 0.00 72.50 72.28 1cup s THR 157 CO 0.00 0.00 1.57 0.79 -0.54 0.00 0.00 174.62 176.44 1cup n TRP 158 N -1.09 1.52 -0.20 3.99 7.02 -1.26 -4.65 117.44 122.78 1cup n TRP 158 Ca -0.12 -0.58 0.18 0.00 -1.02 0.00 0.00 57.50 55.96 1cup n TRP 158 Cb 0.66 -0.30 0.53 0.00 -2.42 0.00 0.00 31.31 29.78 1cup n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1cup h ASP 159 N 3.70 0.36 0.54 -0.99 3.45 -1.96 0.63 116.42 122.15 1cup h ASP 159 Ca 0.00 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 1cup h ASP 159 Cb 1.49 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 40.22 1cup h ASP 159 CO 0.28 0.16 -0.07 0.00 -1.57 0.00 0.00 179.24 178.04 1cup h ALA 160 N 1.63 1.12 -0.02 3.45 0.00 -1.89 -2.34 119.26 121.20 1cup h ALA 160 Ca 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1cup h ALA 160 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1cup h ALA 160 CO -0.13 0.09 -0.07 0.66 0.00 0.00 0.00 179.25 179.80 1cup n TYR 161 N -3.35 0.00 1.28 0.00 4.01 0.18 -4.99 117.16 114.29 1cup n TYR 161 Ca -0.01 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.86 1cup n TYR 161 Cb 0.24 0.00 0.33 0.00 -0.31 0.00 0.00 39.34 39.61 1cup n TYR 161 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03