#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtn n ASN 2 N 0.00 -1.81 0.03 6.12 2.04 -1.26 -4.32 115.26 116.07 1jtn n ASN 2 Ca 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1jtn n ASN 2 Cb 0.00 -0.40 0.30 0.00 -2.53 0.00 0.00 39.78 37.15 1jtn n ASN 2 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 1jtn h ILE 3 N -1.38 1.21 -0.01 1.53 5.03 -1.96 -2.28 117.51 119.65 1jtn h ILE 3 Ca -0.08 -0.91 0.02 0.00 -0.12 0.00 0.00 64.86 63.77 1jtn h ILE 3 Cb 0.30 1.11 -0.03 0.00 -3.03 0.00 0.00 36.82 35.17 1jtn h ILE 3 CO 0.04 0.30 -0.12 -0.26 -0.68 0.00 0.00 178.15 177.43 1jtn h PHE 4 N 0.42 -0.32 -0.22 1.37 -1.00 -1.99 0.32 116.94 115.52 1jtn h PHE 4 Ca 0.08 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 1jtn h PHE 4 Cb 0.42 0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 1jtn h PHE 4 CO 0.01 -0.19 0.06 0.93 -1.61 0.00 0.00 178.31 177.52 1jtn h GLU 5 N -0.21 0.35 -0.63 1.51 5.08 -1.82 0.46 114.58 119.33 1jtn h GLU 5 Ca 0.05 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1jtn h GLU 5 Cb 0.27 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 1jtn h GLU 5 CO -0.13 0.45 0.30 1.98 -1.00 0.00 0.00 179.01 180.61 1jtn h MET 6 N 0.19 0.52 -0.16 2.33 1.85 -1.17 0.48 114.93 118.97 1jtn h MET 6 Ca 0.07 -0.03 -0.07 0.00 -0.61 0.00 0.00 59.70 59.06 1jtn h MET 6 Cb 0.25 -0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.16 1jtn h MET 6 CO -0.00 0.35 -0.19 -0.07 -0.40 0.00 0.00 176.91 176.59 1jtn h LEU 7 N 0.54 0.45 -2.01 3.39 3.38 -0.21 -0.65 115.31 120.19 1jtn h LEU 7 Ca 0.30 -0.50 0.14 0.00 0.09 0.00 0.00 57.88 57.91 1jtn h LEU 7 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1jtn h LEU 7 CO -0.24 0.86 0.43 -0.09 0.09 0.00 0.00 178.44 179.49 1jtn h ARG 8 N 0.05 0.00 0.02 1.13 9.65 0.88 0.87 114.38 126.97 1jtn h ARG 8 Ca 0.02 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1jtn h ARG 8 Cb 0.74 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 1jtn h ARG 8 CO 0.05 0.00 -0.01 0.82 2.80 0.00 0.00 179.97 183.63 1jtn h ILE 9 N 0.00 0.99 -0.33 1.20 2.04 0.23 -2.15 117.51 119.50 1jtn h ILE 9 Ca 0.23 -1.69 0.03 0.00 1.00 0.00 0.00 64.86 64.43 1jtn h ILE 9 Cb 1.09 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.99 1jtn h ILE 9 CO -0.00 0.33 0.13 0.44 0.00 0.00 0.00 178.15 179.05 1jtn h ASP 10 N -0.99 0.16 0.79 1.72 3.32 0.39 -3.21 116.42 118.60 1jtn h ASP 10 Ca -0.00 0.03 -0.24 0.00 0.02 0.00 0.00 57.03 56.84 1jtn h ASP 10 Cb 0.56 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 1jtn h ASP 10 CO 0.00 0.13 -1.30 -0.33 -1.72 0.00 0.00 179.24 176.02 1jtn h GLU 11 N 0.28 0.00 0.00 3.56 4.39 0.54 -3.51 114.58 119.84 1jtn h GLU 11 Ca 0.15 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.92 1jtn h GLU 11 Cb 0.10 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1jtn h GLU 11 CO -0.14 0.71 -0.09 0.41 -1.16 0.00 0.00 179.01 178.74 1jtn n GLY 12 N 1.43 -1.94 2.69 -3.84 0.00 -0.81 -4.30 105.19 98.43 1jtn n GLY 12 Ca -0.08 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 1jtn n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jtn s LEU 13 N 0.00 0.86 -0.13 0.99 2.96 -1.26 -4.17 118.68 117.94 1jtn s LEU 13 Ca 0.00 -0.71 0.03 0.00 -0.22 0.00 0.00 54.13 53.23 1jtn s LEU 13 Cb 0.00 -0.46 0.01 0.00 0.50 0.00 0.00 46.19 46.23 1jtn s LEU 13 CO 0.00 -0.32 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.37 1jtn s ARG 14 N 1.96 2.98 0.00 1.98 0.52 -0.55 -4.97 118.95 120.87 1jtn s ARG 14 Ca 0.00 -0.84 0.17 0.00 -0.52 0.00 0.00 55.73 54.55 1jtn s ARG 14 Cb -0.16 -2.38 0.52 0.00 0.52 0.00 0.00 34.95 33.45 1jtn s ARG 14 CO -0.08 0.01 1.41 1.28 0.02 0.00 0.00 175.30 177.94 1jtn n LEU 15 N 4.00 2.25 -3.75 2.53 4.77 -1.26 0.24 117.00 125.78 1jtn n LEU 15 Ca -0.20 -1.05 -0.13 0.00 -0.03 0.00 0.00 56.01 54.61 1jtn n LEU 15 Cb 0.52 -0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 41.25 1jtn n LEU 15 CO 0.27 0.52 -0.19 -1.59 -1.33 0.00 0.00 177.39 175.08 1jtn s LYS 16 N -1.56 0.14 0.25 3.23 -2.85 -1.26 -0.69 119.74 117.00 1jtn s LYS 16 Ca 0.32 0.40 -0.13 0.00 -1.00 0.00 0.00 55.97 55.56 1jtn s LYS 16 Cb 0.17 -0.12 -0.10 0.00 -2.06 0.00 0.00 37.83 35.72 1jtn s LYS 16 CO 0.24 -0.15 0.06 -0.89 0.10 0.00 0.00 175.35 174.71 1jtn n ILE 17 N 4.05 0.42 -3.45 3.79 5.41 -0.43 -4.80 119.36 124.34 1jtn n ILE 17 Ca -0.24 -0.31 -0.12 0.00 1.00 0.00 0.00 62.75 63.08 1jtn n ILE 17 Cb 0.53 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.44 1jtn n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1jtn s TYR 18 N -1.02 -0.50 -0.24 1.39 -0.85 0.25 -4.92 117.35 111.45 1jtn s TYR 18 Ca 0.37 0.39 -0.01 0.00 -0.52 0.00 0.00 57.07 57.29 1jtn s TYR 18 Cb -0.40 0.54 0.07 0.00 0.38 0.00 0.00 41.96 42.55 1jtn s TYR 18 CO 0.39 -0.74 0.04 0.15 -1.52 0.00 0.00 175.55 173.86 1jtn s LYS 19 N -3.28 0.88 0.00 -3.49 1.02 -1.26 0.16 119.74 113.78 1jtn s LYS 19 Ca 0.01 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.24 1jtn s LYS 19 Cb -0.01 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1jtn s LYS 19 CO -0.09 -0.74 0.00 -0.40 -0.92 0.00 0.00 175.35 173.19 1jtn n ASP 20 N 4.90 0.00 0.00 2.83 5.75 -1.26 -4.51 116.55 124.26 1jtn n ASP 20 Ca -0.07 -0.61 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 1jtn n ASP 20 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1jtn n ASP 20 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1jtn n THR 21 N 1.58 0.00 -0.05 2.12 -2.24 -1.26 -4.41 114.28 110.02 1jtn n THR 21 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jtn n THR 21 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1jtn n THR 21 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jtn n GLU 22 N -1.66 1.48 0.00 -0.78 4.71 -1.26 -5.12 120.64 118.00 1jtn n GLU 22 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1jtn n GLU 22 Cb 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 31.44 30.28 1jtn n GLU 22 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jtn n GLY 23 N 0.21 5.10 3.94 0.62 0.00 -1.26 -5.16 105.19 108.65 1jtn n GLY 23 Ca 0.00 -1.83 -0.24 0.00 0.00 0.00 0.00 46.02 43.95 1jtn n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jtn s TYR 24 N 1.97 3.49 0.06 1.61 1.51 -1.26 -4.72 117.35 120.01 1jtn s TYR 24 Ca 0.00 0.30 -0.32 0.00 -1.01 0.00 0.00 57.07 56.05 1jtn s TYR 24 Cb 0.00 -1.84 -0.11 0.00 -0.11 0.00 0.00 41.96 39.90 1jtn s TYR 24 CO 0.00 0.24 1.88 0.66 -1.11 0.00 0.00 175.55 177.22 1jtn n TYR 25 N -1.40 2.51 -4.29 2.71 4.01 -1.23 -4.44 117.16 115.04 1jtn n TYR 25 Ca -0.05 -0.18 -0.15 0.00 -0.16 0.00 0.00 57.90 57.36 1jtn n TYR 25 Cb 0.56 -2.73 -0.10 0.00 -0.31 0.00 0.00 39.34 36.75 1jtn n TYR 25 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1jtn s THR 26 N 3.44 1.13 0.02 -0.72 2.01 0.43 -1.01 115.64 120.94 1jtn s THR 26 Ca 0.86 -2.05 -0.22 0.00 0.31 0.00 0.00 61.69 60.59 1jtn s THR 26 Cb -0.52 -2.06 0.05 0.00 0.01 0.00 0.00 72.50 69.98 1jtn s THR 26 CO 0.42 -0.57 0.50 -0.51 -0.69 0.00 0.00 174.62 173.77 1jtn s ILE 27 N -3.36 0.03 0.00 1.82 2.07 -0.62 0.84 121.20 121.99 1jtn s ILE 27 Ca 0.22 -0.27 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 1jtn s ILE 27 Cb 0.04 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.70 1jtn s ILE 27 CO 0.04 -0.15 0.00 0.61 -1.91 0.00 0.00 174.94 173.53 1jtn n GLY 28 N 0.61 2.81 3.26 1.50 0.00 0.65 -1.55 105.19 112.47 1jtn n GLY 28 Ca -0.19 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1jtn n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jtn s ILE 29 N 0.00 5.26 -1.80 -0.61 1.01 -1.26 -1.48 121.20 122.31 1jtn s ILE 29 Ca 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 60.65 57.50 1jtn s ILE 29 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1jtn s ILE 29 CO 0.00 -1.08 0.00 0.61 0.00 0.00 0.00 174.94 174.47 1jtn n GLY 30 N 3.13 -0.29 3.52 6.18 0.00 -1.26 -4.88 105.19 111.60 1jtn n GLY 30 Ca 0.18 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1jtn n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jtn s HIS 31 N -3.01 2.63 0.03 1.61 5.04 -0.60 -4.92 115.29 116.07 1jtn s HIS 31 Ca 0.00 -0.06 -0.30 0.00 -1.54 0.00 0.00 55.06 53.15 1jtn s HIS 31 Cb 0.00 -4.32 -0.07 0.00 0.04 0.00 0.00 32.58 28.23 1jtn s HIS 31 CO 0.00 -1.61 1.59 -1.17 -2.34 0.00 0.00 174.74 171.21 1jtn s LEU 32 N 4.53 4.35 -0.20 8.88 0.20 -1.26 -1.58 118.68 133.59 1jtn s LEU 32 Ca 0.32 2.35 -0.13 0.00 0.69 0.00 0.00 54.13 57.36 1jtn s LEU 32 Cb -0.12 -3.56 -0.20 0.00 -0.43 0.00 0.00 46.19 41.89 1jtn s LEU 32 CO 0.17 -0.85 0.10 0.18 -0.29 0.00 0.00 176.35 175.66 1jtn n LEU 33 N 5.77 2.23 -3.58 -0.68 4.77 -0.18 -4.98 117.00 120.34 1jtn n LEU 33 Ca 0.15 0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 56.35 1jtn n LEU 33 Cb 0.42 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 1jtn n LEU 33 CO 0.62 0.57 0.90 0.28 -1.33 0.00 0.00 177.39 178.43 1jtn s THR 34 N -2.46 0.00 -2.22 -5.08 -1.32 -1.23 -4.86 115.64 98.46 1jtn s THR 34 Ca -0.30 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.47 1jtn s THR 34 Cb 0.08 -1.00 0.54 0.00 -1.51 0.00 0.00 72.50 70.61 1jtn s THR 34 CO 0.62 0.00 1.79 0.29 -2.21 0.00 0.00 174.62 175.11 1jtn n LYS 35 N 0.24 1.34 -2.53 7.08 5.02 -1.26 -3.52 118.16 124.53 1jtn n LYS 35 Ca -0.05 -0.69 -0.34 0.00 -2.02 0.00 0.00 58.31 55.21 1jtn n LYS 35 Cb 0.59 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 1jtn n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1jtn s SER 36 N -2.14 6.35 0.00 4.39 0.15 -1.26 -4.96 113.70 116.23 1jtn s SER 36 Ca 0.36 1.91 0.27 0.00 0.70 0.00 0.00 55.95 59.19 1jtn s SER 36 Cb 0.21 -2.56 0.94 0.00 -1.71 0.00 0.00 66.02 62.89 1jtn s SER 36 CO 0.39 -0.78 1.68 -0.81 1.20 0.00 0.00 173.24 174.92 1jtn n PRO 37 N -1.00 0.73 -2.86 5.44 -0.04 -1.26 -4.62 135.00 131.38 1jtn n PRO 37 Ca 0.09 -0.36 -0.42 0.00 -0.04 0.00 0.00 63.50 62.77 1jtn n PRO 37 Cb 0.53 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 1jtn n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jtn s SER 38 N -2.52 6.79 0.52 3.54 0.15 -1.26 -4.91 113.70 116.01 1jtn s SER 38 Ca 0.25 0.90 0.19 0.00 0.70 0.00 0.00 55.95 57.99 1jtn s SER 38 Cb 0.19 -2.44 1.31 0.00 -1.71 0.00 0.00 66.02 63.37 1jtn s SER 38 CO 0.51 -0.62 2.11 0.25 1.20 0.00 0.00 173.24 176.69 1jtn h LEU 39 N 9.44 0.00 -0.39 3.45 5.85 -2.00 -1.25 115.31 130.41 1jtn h LEU 39 Ca -0.23 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1jtn h LEU 39 Cb 1.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1jtn h LEU 39 CO 0.91 0.00 0.11 0.78 -0.34 0.00 0.00 178.44 179.90 1jtn h ASN 40 N 0.00 0.58 -0.12 1.25 2.35 -1.98 -0.46 115.58 117.21 1jtn h ASN 40 Ca 0.06 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 1jtn h ASN 40 Cb 0.26 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1jtn h ASN 40 CO -0.00 0.65 -0.01 0.00 -1.65 0.00 0.00 177.43 176.41 1jtn h ALA 41 N 0.96 1.57 0.27 -0.83 0.00 -1.65 -0.06 119.26 119.53 1jtn h ALA 41 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jtn h ALA 41 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jtn h ALA 41 CO -0.00 0.32 -0.13 0.00 0.00 0.00 0.00 179.25 179.43 1jtn h ALA 42 N 1.67 -0.37 -0.66 0.00 0.00 -1.03 -1.69 119.26 117.18 1jtn h ALA 42 Ca 0.07 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1jtn h ALA 42 Cb 0.24 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1jtn h ALA 42 CO 0.01 -0.54 0.45 0.87 0.00 0.00 0.00 179.25 180.03 1jtn h LYS 43 N -0.70 0.38 -0.30 0.00 1.57 -0.80 -0.30 116.57 116.43 1jtn h LYS 43 Ca -0.04 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1jtn h LYS 43 Cb 0.48 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1jtn h LYS 43 CO 0.06 0.25 -0.36 1.03 -0.57 0.00 0.00 179.45 179.86 1jtn h SER 44 N 0.39 0.71 0.15 0.86 0.87 -0.77 0.12 113.55 115.87 1jtn h SER 44 Ca 0.32 -0.30 -0.22 0.00 -1.23 0.00 0.00 61.79 60.36 1jtn h SER 44 Cb 0.70 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1jtn h SER 44 CO -0.09 1.00 -0.84 -0.33 -0.53 0.00 0.00 176.83 176.05 1jtn h GLU 45 N 0.56 0.54 0.66 2.24 4.39 -0.27 -2.24 114.58 120.46 1jtn h GLU 45 Ca 0.06 -0.49 -0.03 0.00 0.34 0.00 0.00 59.36 59.23 1jtn h GLU 45 Cb 0.88 0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1jtn h GLU 45 CO 0.08 1.12 -0.32 1.25 -1.16 0.00 0.00 179.01 179.98 1jtn h LEU 46 N 0.34 -0.75 -0.53 1.33 5.85 -1.00 0.13 115.31 120.68 1jtn h LEU 46 Ca -0.06 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.75 1jtn h LEU 46 Cb 1.45 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.58 1jtn h LEU 46 CO 0.15 -0.43 -0.05 0.44 -0.34 0.00 0.00 178.44 178.22 1jtn h ASP 47 N -1.06 -0.33 -0.59 1.25 3.32 -0.84 1.11 116.42 119.28 1jtn h ASP 47 Ca -0.09 0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.14 1jtn h ASP 47 Cb 0.71 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 1jtn h ASP 47 CO 0.15 -0.12 0.39 0.50 -1.72 0.00 0.00 179.24 178.44 1jtn h LYS 48 N 0.07 0.65 -0.07 3.56 3.64 -1.30 1.55 116.57 124.68 1jtn h LYS 48 Ca 0.27 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.37 1jtn h LYS 48 Cb 0.41 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1jtn h LYS 48 CO -0.49 0.43 -0.89 0.00 -2.27 0.00 0.00 179.45 176.24 1jtn h ALA 49 N 1.66 0.29 0.00 5.00 0.00 0.26 -3.33 119.26 123.13 1jtn h ALA 49 Ca 0.24 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1jtn h ALA 49 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1jtn h ALA 49 CO -0.07 0.71 -1.10 0.82 0.00 0.00 0.00 179.25 179.61 1jtn h ILE 50 N 0.42 0.15 -0.67 0.00 1.08 0.20 -3.48 117.51 115.20 1jtn h ILE 50 Ca -0.08 -1.30 -0.12 0.00 -0.39 0.00 0.00 64.86 62.96 1jtn h ILE 50 Cb 1.52 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.92 1jtn h ILE 50 CO 0.17 0.09 -0.14 0.61 -0.69 0.00 0.00 178.15 178.19 1jtn n GLY 51 N 1.24 0.37 3.54 5.37 0.00 0.52 -5.01 105.19 111.22 1jtn n GLY 51 Ca -0.03 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 1jtn n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1jtn s ARG 52 N -3.69 1.40 -0.73 1.61 1.70 -1.18 -5.06 118.95 113.00 1jtn s ARG 52 Ca 0.00 -0.79 -0.27 0.00 -0.47 0.00 0.00 55.73 54.20 1jtn s ARG 52 Cb 0.00 0.54 0.03 0.00 -0.57 0.00 0.00 34.95 34.95 1jtn s ARG 52 CO 0.00 -0.60 1.28 -0.80 -1.08 0.00 0.00 175.30 174.10 1jtn s ASN 53 N -2.85 6.17 0.01 -2.89 0.02 -1.26 -4.39 114.94 109.75 1jtn s ASN 53 Ca 0.07 -0.41 -0.02 0.00 -1.02 0.00 0.00 52.86 51.49 1jtn s ASN 53 Cb -0.02 -2.56 -0.27 0.00 0.02 0.00 0.00 41.25 38.43 1jtn s ASN 53 CO -0.04 -1.82 0.88 0.71 0.02 0.00 0.00 177.10 176.85 1jtn h THR 54 N 6.05 1.18 -1.68 1.60 1.35 -1.89 -3.47 112.91 116.04 1jtn h THR 54 Ca -0.28 -2.84 -0.41 0.00 -0.55 0.00 0.00 66.41 62.34 1jtn h THR 54 Cb 1.05 2.75 -0.11 0.00 -1.73 0.00 0.00 68.15 70.11 1jtn h THR 54 CO 1.27 0.81 -0.43 -3.20 -0.25 0.00 0.00 175.52 173.73 1jtn n ASN 55 N -3.43 -5.56 0.00 5.36 5.15 -1.26 -1.30 115.26 114.22 1jtn n ASN 55 Ca -0.15 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 1jtn n ASN 55 Cb 1.04 -4.75 0.00 0.00 -0.53 0.00 0.00 39.78 35.54 1jtn n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jtn n GLY 56 N -0.68 0.60 3.15 8.20 0.00 -1.26 -4.98 105.19 110.21 1jtn n GLY 56 Ca -0.22 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 1jtn n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jtn s VAL 57 N -2.00 1.62 0.28 1.61 0.11 -0.42 -1.32 120.40 120.29 1jtn s VAL 57 Ca 0.00 -0.79 0.12 0.00 -2.93 0.00 0.00 61.98 58.38 1jtn s VAL 57 Cb 0.00 -1.40 -0.05 0.00 -1.53 0.00 0.00 36.38 33.40 1jtn s VAL 57 CO 0.00 0.46 -0.19 0.27 -3.33 0.00 0.00 175.10 172.31 1jtn s ILE 58 N 0.24 2.46 0.71 7.04 -4.36 0.13 -4.74 121.20 122.68 1jtn s ILE 58 Ca -0.10 -2.40 -0.10 0.00 -0.26 0.00 0.00 60.65 57.79 1jtn s ILE 58 Cb -0.15 -2.32 0.04 0.00 1.25 0.00 0.00 42.46 41.28 1jtn s ILE 58 CO 0.05 -0.39 1.07 0.42 0.24 0.00 0.00 174.94 176.33 1jtn s THR 59 N -2.52 2.99 0.38 8.37 -4.23 -1.26 -4.77 115.64 114.60 1jtn s THR 59 Ca 0.30 0.18 0.05 0.00 -1.18 0.00 0.00 61.69 61.04 1jtn s THR 59 Cb -0.04 -3.29 0.27 0.00 1.34 0.00 0.00 72.50 70.77 1jtn s THR 59 CO 0.15 -0.36 2.03 0.50 -0.54 0.00 0.00 174.62 176.40 1jtn h LYS 60 N -0.66 0.70 -0.42 3.99 3.64 -1.99 -1.71 116.57 120.11 1jtn h LYS 60 Ca -0.45 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 58.78 1jtn h LYS 60 Cb 1.28 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1jtn h LYS 60 CO 0.63 0.46 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.67 1jtn h ASP 61 N 0.72 0.88 -0.17 4.20 5.19 -1.99 -1.84 116.42 123.40 1jtn h ASP 61 Ca 0.21 -0.39 -0.10 0.00 -0.62 0.00 0.00 57.03 56.13 1jtn h ASP 61 Cb -0.04 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.21 1jtn h ASP 61 CO -0.05 1.07 -0.21 -0.33 -3.12 0.00 0.00 179.24 176.60 1jtn h GLU 62 N 0.68 0.61 -0.22 3.56 5.08 -1.79 -1.99 114.58 120.51 1jtn h GLU 62 Ca 0.10 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1jtn h GLU 62 Cb 0.72 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1jtn h GLU 62 CO 0.05 0.78 0.10 0.00 -1.00 0.00 0.00 179.01 178.95 1jtn h ALA 63 N 1.23 0.28 -0.61 3.43 0.00 -1.17 -0.63 119.26 121.79 1jtn h ALA 63 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jtn h ALA 63 Cb 0.66 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1jtn h ALA 63 CO 0.05 -0.16 0.34 0.93 0.00 0.00 0.00 179.25 180.41 1jtn h GLU 64 N 0.22 0.83 -0.02 0.00 5.08 -1.15 -1.18 114.58 118.36 1jtn h GLU 64 Ca 0.07 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1jtn h GLU 64 Cb 0.12 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1jtn h GLU 64 CO -0.01 0.60 0.01 -0.22 -1.00 0.00 0.00 179.01 178.39 1jtn h LYS 65 N 0.84 0.03 -0.14 2.33 3.64 -0.93 -1.03 116.57 121.31 1jtn h LYS 65 Ca 0.22 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1jtn h LYS 65 Cb 0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1jtn h LYS 65 CO -0.04 0.18 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.24 1jtn h LEU 66 N -0.12 0.18 -0.06 5.20 3.38 -0.76 -2.53 115.31 120.61 1jtn h LEU 66 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jtn h LEU 66 Cb 0.16 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1jtn h LEU 66 CO -0.00 0.24 0.01 0.15 0.09 0.00 0.00 178.44 178.92 1jtn h PHE 67 N 0.20 0.10 -0.51 1.13 3.57 -0.73 -1.29 116.94 119.41 1jtn h PHE 67 Ca 0.05 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1jtn h PHE 67 Cb 0.16 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1jtn h PHE 67 CO 0.00 0.32 0.24 -0.91 -2.23 0.00 0.00 178.31 175.73 1jtn h ASN 68 N -0.15 0.64 -0.33 0.41 2.35 -0.92 0.12 115.58 117.71 1jtn h ASN 68 Ca 0.02 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 1jtn h ASN 68 Cb 0.27 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1jtn h ASN 68 CO 0.00 0.55 -0.33 1.56 -1.65 0.00 0.00 177.43 177.56 1jtn h GLN 69 N 0.72 0.80 -0.55 0.81 4.20 -1.37 -0.40 115.11 119.32 1jtn h GLN 69 Ca 0.18 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 1jtn h GLN 69 Cb 0.08 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1jtn h GLN 69 CO -0.02 1.06 0.20 -0.44 -0.67 0.00 0.00 178.83 178.96 1jtn h ASP 70 N 0.58 0.78 -0.35 1.46 3.32 -0.64 0.25 116.42 121.81 1jtn h ASP 70 Ca 0.05 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 56.77 1jtn h ASP 70 Cb 0.92 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1jtn h ASP 70 CO 0.08 0.75 -0.31 0.58 -1.72 0.00 0.00 179.24 178.63 1jtn h VAL 71 N 0.76 1.27 -0.68 -1.35 2.07 -0.98 -1.91 116.25 115.43 1jtn h VAL 71 Ca 0.18 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.16 1jtn h VAL 71 Cb 0.23 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1jtn h VAL 71 CO -0.01 0.49 0.16 -0.78 0.02 0.00 0.00 177.57 177.46 1jtn h ASP 72 N 0.74 1.03 0.49 0.57 1.82 -0.77 0.01 116.42 120.31 1jtn h ASP 72 Ca 0.08 -0.23 -0.07 0.00 -0.39 0.00 0.00 57.03 56.42 1jtn h ASP 72 Cb 0.87 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1jtn h ASP 72 CO 0.08 1.00 -0.32 0.00 -1.61 0.00 0.00 179.24 178.38 1jtn h ALA 73 N 1.07 1.26 -0.01 -0.78 0.00 -0.34 -0.10 119.26 120.36 1jtn h ALA 73 Ca 0.21 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1jtn h ALA 73 Cb 0.37 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.12 1jtn h ALA 73 CO 0.00 0.40 -0.82 0.00 0.00 0.00 0.00 179.25 178.83 1jtn h ALA 74 N 1.68 0.11 -0.13 0.00 0.00 -0.69 -2.30 119.26 117.93 1jtn h ALA 74 Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 1jtn h ALA 74 Cb 0.66 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1jtn h ALA 74 CO 0.04 0.53 -0.01 0.28 0.00 0.00 0.00 179.25 180.09 1jtn h VAL 75 N 0.17 1.26 -0.41 0.00 2.07 -0.83 -1.89 116.25 116.63 1jtn h VAL 75 Ca -0.10 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1jtn h VAL 75 Cb 1.50 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.79 1jtn h VAL 75 CO 0.16 0.25 0.04 0.03 0.02 0.00 0.00 177.57 178.07 1jtn h ARG 76 N -0.05 0.15 -0.79 1.57 3.08 -1.10 -0.61 114.38 116.63 1jtn h ARG 76 Ca 0.03 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.11 1jtn h ARG 76 Cb 0.38 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1jtn h ARG 76 CO 0.01 0.10 0.52 0.78 -1.07 0.00 0.00 179.97 180.31 1jtn h GLY 77 N 0.15 1.11 0.64 0.04 0.00 -1.32 -1.11 103.07 102.58 1jtn h GLY 77 Ca 0.20 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1jtn h GLY 77 CO -0.30 0.34 -0.11 -2.22 0.00 0.00 0.00 176.54 174.25 1jtn h ILE 78 N 0.99 0.83 -0.04 2.60 2.04 -0.39 -1.55 117.51 121.99 1jtn h ILE 78 Ca 0.31 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1jtn h ILE 78 Cb 0.02 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1jtn h ILE 78 CO -0.09 0.14 0.03 -0.07 0.00 0.00 0.00 178.15 178.16 1jtn h LEU 79 N -0.68 0.03 0.00 1.44 3.38 -0.98 -2.40 115.31 116.10 1jtn h LEU 79 Ca -0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jtn h LEU 79 Cb 0.47 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1jtn h LEU 79 CO 0.05 0.02 -0.87 0.03 0.09 0.00 0.00 178.44 177.76 1jtn h ARG 80 N 0.03 0.00 -5.85 1.13 -0.00 -1.19 -3.44 114.38 105.06 1jtn h ARG 80 Ca 0.02 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 58.90 1jtn h ARG 80 Cb 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 29.90 1jtn h ARG 80 CO -0.00 0.01 0.49 1.21 0.00 0.00 0.00 179.97 181.68 1jtn s ASN 81 N -5.49 6.78 0.61 7.04 3.84 -0.59 -4.93 114.94 122.19 1jtn s ASN 81 Ca 0.00 0.88 0.29 0.00 0.21 0.00 0.00 52.86 54.25 1jtn s ASN 81 Cb 0.09 -2.44 1.55 0.00 -0.55 0.00 0.00 41.25 39.90 1jtn s ASN 81 CO 0.77 -0.61 1.93 0.00 -2.79 0.00 0.00 177.10 176.41 1jtn h ALA 82 N 7.91 1.88 0.07 1.71 0.00 -1.89 0.24 119.26 129.19 1jtn h ALA 82 Ca -0.23 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.31 1jtn h ALA 82 Cb 1.09 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1jtn h ALA 82 CO 0.90 -0.54 -2.05 1.63 0.00 0.00 0.00 179.25 179.19 1jtn n LYS 83 N -3.50 0.71 -0.01 0.00 5.02 -1.26 -4.40 118.16 114.72 1jtn n LYS 83 Ca 0.04 0.23 -0.16 0.00 -2.02 0.00 0.00 58.31 56.40 1jtn n LYS 83 Cb 0.53 -1.68 -0.12 0.00 -0.02 0.00 0.00 35.03 33.74 1jtn n LYS 83 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1jtn h LEU 84 N 0.04 0.29 -0.48 -0.35 3.38 -1.54 -3.34 115.31 113.31 1jtn h LEU 84 Ca -0.43 -0.83 0.05 0.00 0.09 0.00 0.00 57.88 56.76 1jtn h LEU 84 Cb 2.02 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 42.60 1jtn h LEU 84 CO 0.05 1.08 -0.51 0.50 0.09 0.00 0.00 178.44 179.66 1jtn h LYS 85 N -0.47 -0.27 -0.93 1.13 3.64 -0.09 0.17 116.57 119.76 1jtn h LYS 85 Ca -0.05 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.54 1jtn h LYS 85 Cb 1.15 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 32.93 1jtn h LYS 85 CO 0.07 -0.18 0.50 -1.35 -2.27 0.00 0.00 179.45 176.22 1jtn h PRO 86 N -0.28 0.58 -0.38 1.90 0.11 -1.77 0.12 132.00 132.28 1jtn h PRO 86 Ca 0.08 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 1jtn h PRO 86 Cb 0.50 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1jtn h PRO 86 CO -0.60 0.38 -0.01 0.28 -0.21 0.00 0.00 178.00 177.84 1jtn h VAL 87 N 0.60 1.26 0.02 3.15 2.07 -1.24 -2.80 116.25 119.31 1jtn h VAL 87 Ca 0.55 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1jtn h VAL 87 Cb 0.91 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1jtn h VAL 87 CO -0.43 0.34 -0.02 0.22 0.02 0.00 0.00 177.57 177.71 1jtn h TYR 88 N 0.51 -0.05 -1.61 1.57 5.03 0.17 -1.42 116.97 121.17 1jtn h TYR 88 Ca 0.11 -0.00 0.50 0.00 2.58 0.00 0.00 58.73 61.92 1jtn h TYR 88 Cb 0.49 0.02 -0.11 0.00 1.55 0.00 0.00 36.73 38.67 1jtn h TYR 88 CO 0.04 -0.02 1.10 -0.44 -1.32 0.00 0.00 178.16 177.51 1jtn h ASP 89 N -0.04 0.12 0.77 -2.11 3.32 -1.01 1.60 116.42 119.07 1jtn h ASP 89 Ca -0.00 0.08 -0.18 0.00 0.02 0.00 0.00 57.03 56.95 1jtn h ASP 89 Cb 0.03 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1jtn h ASP 89 CO 0.00 -0.13 -0.85 0.77 -1.72 0.00 0.00 179.24 177.31 1jtn h SER 90 N 0.02 0.07 -4.07 6.45 4.64 -1.19 -3.46 113.55 116.02 1jtn h SER 90 Ca 0.88 -0.06 -0.50 0.00 -0.47 0.00 0.00 61.79 61.64 1jtn h SER 90 Cb 3.15 -0.02 0.07 0.00 -0.31 0.00 0.00 62.40 65.29 1jtn h SER 90 CO -0.26 0.89 0.44 -0.76 -0.87 0.00 0.00 176.83 176.27 1jtn s LEU 91 N -7.19 3.80 0.62 5.97 1.43 0.55 -5.05 118.68 118.81 1jtn s LEU 91 Ca -0.01 2.19 -0.08 0.00 -1.03 0.00 0.00 54.13 55.20 1jtn s LEU 91 Cb 0.11 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.80 1jtn s LEU 91 CO 0.81 -1.15 0.97 1.51 0.23 0.00 0.00 176.35 178.71 1jtn s ASP 92 N -1.71 5.65 0.19 2.29 1.47 -1.26 -4.72 116.67 118.57 1jtn s ASP 92 Ca 0.71 0.93 -0.25 0.00 1.18 0.00 0.00 52.55 55.12 1jtn s ASP 92 Cb -0.24 -1.89 0.06 0.00 -0.34 0.00 0.00 42.92 40.51 1jtn s ASP 92 CO 0.28 -1.10 1.55 0.00 0.68 0.00 0.00 175.17 176.57 1jtn h ALA 93 N -0.32 -0.26 0.03 2.11 0.00 -1.96 0.29 119.26 119.15 1jtn h ALA 93 Ca -0.45 0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1jtn h ALA 93 Cb 1.25 1.20 -0.03 0.00 0.00 0.00 0.00 17.79 20.20 1jtn h ALA 93 CO 0.62 -0.82 -0.20 0.28 0.00 0.00 0.00 179.25 179.13 1jtn h VAL 94 N -0.03 0.54 -0.95 0.00 2.07 -1.94 -1.96 116.25 113.98 1jtn h VAL 94 Ca 0.23 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.78 1jtn h VAL 94 Cb 0.50 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1jtn h VAL 94 CO -0.93 0.00 0.62 0.03 0.02 0.00 0.00 177.57 177.31 1jtn h ARG 95 N -0.34 1.18 -0.97 1.57 3.08 -1.56 -0.11 114.38 117.23 1jtn h ARG 95 Ca 0.05 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.13 1jtn h ARG 95 Cb 0.39 -0.27 -0.07 0.00 0.08 0.00 0.00 29.97 30.10 1jtn h ARG 95 CO -0.16 0.78 0.62 0.00 -1.07 0.00 0.00 179.97 180.14 1jtn h ARG 96 N 1.21 0.98 -0.45 0.04 3.08 0.02 -0.27 114.38 118.99 1jtn h ARG 96 Ca 0.37 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.44 1jtn h ARG 96 Cb -0.02 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 29.74 1jtn h ARG 96 CO -0.11 0.65 0.06 0.00 -1.07 0.00 0.00 179.97 179.50 1jtn h ALA 97 N 1.52 0.47 -0.17 0.04 0.00 -0.28 -0.74 119.26 120.11 1jtn h ALA 97 Ca 0.46 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 1jtn h ALA 97 Cb 0.39 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1jtn h ALA 97 CO -0.22 -0.34 0.04 0.00 0.00 0.00 0.00 179.25 178.74 1jtn h ALA 98 N 1.36 1.77 -0.14 0.00 0.00 -0.81 -0.92 119.26 120.51 1jtn h ALA 98 Ca 0.22 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1jtn h ALA 98 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jtn h ALA 98 CO -0.32 0.19 -0.40 1.25 0.00 0.00 0.00 179.25 179.97 1jtn h LEU 99 N 0.23 0.60 -0.68 0.00 5.85 -0.50 -2.78 115.31 118.03 1jtn h LEU 99 Ca 0.06 -0.59 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 1jtn h LEU 99 Cb 0.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1jtn h LEU 99 CO -0.00 1.08 0.35 0.40 -0.34 0.00 0.00 178.44 179.93 1jtn h ILE 100 N 0.15 1.22 -0.86 4.05 2.04 -0.78 -1.88 117.51 121.44 1jtn h ILE 100 Ca -0.01 -0.59 0.08 0.00 1.00 0.00 0.00 64.86 65.34 1jtn h ILE 100 Cb 1.02 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 1jtn h ILE 100 CO 0.09 0.25 0.52 -1.13 0.00 0.00 0.00 178.15 177.88 1jtn h ASN 101 N 0.94 0.78 0.69 1.72 -0.73 -1.17 0.19 115.58 118.00 1jtn h ASN 101 Ca 0.24 0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.41 1jtn h ASN 101 Cb 0.08 -0.12 0.01 0.00 0.27 0.00 0.00 38.32 38.55 1jtn h ASN 101 CO -0.03 0.47 -0.33 0.24 -0.37 0.00 0.00 177.43 177.40 1jtn h MET 102 N 0.90 -0.89 -0.60 6.67 2.86 -1.15 -1.83 114.93 120.89 1jtn h MET 102 Ca 0.40 0.06 0.09 0.00 -2.06 0.00 0.00 59.70 58.19 1jtn h MET 102 Cb 0.29 0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 1jtn h MET 102 CO -0.21 -0.56 0.40 0.28 1.06 0.00 0.00 176.91 177.87 1jtn h VAL 103 N -1.09 0.92 0.00 -2.22 2.07 -1.07 0.27 116.25 115.13 1jtn h VAL 103 Ca -0.09 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1jtn h VAL 103 Cb 0.74 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1jtn h VAL 103 CO 0.16 0.08 -0.49 0.15 0.02 0.00 0.00 177.57 177.49 1jtn h PHE 104 N 0.45 0.00 0.00 1.57 3.04 -0.54 0.33 116.94 121.79 1jtn h PHE 104 Ca 0.27 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.15 1jtn h PHE 104 Cb 0.47 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 1jtn h PHE 104 CO -0.00 0.49 -0.47 0.37 -2.02 0.00 0.00 178.31 176.68 1jtn h GLN 105 N 0.00 0.00 -0.01 1.11 4.15 0.06 -3.41 115.11 117.01 1jtn h GLN 105 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1jtn h GLN 105 Cb 0.94 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.63 1jtn h GLN 105 CO 0.06 0.74 -0.12 0.00 -1.93 0.00 0.00 178.83 177.58 1jtn n MET 106 N -4.58 1.35 0.00 1.69 0.00 0.67 -5.10 117.12 111.15 1jtn n MET 106 Ca -0.15 -1.02 0.00 0.00 0.00 0.00 0.00 57.70 56.52 1jtn n MET 106 Cb 0.45 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.46 1jtn n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jtn n GLY 107 N 0.87 -1.42 0.25 3.17 0.00 0.12 -4.10 105.19 104.08 1jtn n GLY 107 Ca 0.07 -1.49 0.03 0.00 0.00 0.00 0.00 46.02 44.63 1jtn n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jtn h GLU 108 N 0.00 0.16 0.78 1.61 4.81 -1.93 -2.41 114.58 117.60 1jtn h GLU 108 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1jtn h GLU 108 Cb 0.00 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.35 1jtn h GLU 108 CO 0.00 0.11 -0.37 1.15 -0.73 0.00 0.00 179.01 179.16 1jtn h THR 109 N 0.17 0.23 -0.64 0.32 2.02 -1.95 -0.30 112.91 112.76 1jtn h THR 109 Ca 0.37 -0.02 0.13 0.00 0.77 0.00 0.00 66.41 67.66 1jtn h THR 109 Cb 0.62 0.24 -0.12 0.00 -1.74 0.00 0.00 68.15 67.14 1jtn h THR 109 CO -0.54 0.00 -0.11 1.23 0.37 0.00 0.00 175.52 176.47 1jtn h GLY 110 N -1.06 0.52 0.97 2.16 0.00 -1.65 -1.69 103.07 102.33 1jtn h GLY 110 Ca -0.11 0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1jtn h GLY 110 CO 0.17 -0.24 0.04 -2.08 0.00 0.00 0.00 176.54 174.44 1jtn h VAL 111 N 0.03 1.25 0.00 4.60 2.07 -1.35 -2.57 116.25 120.28 1jtn h VAL 111 Ca 0.31 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1jtn h VAL 111 Cb 0.50 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1jtn h VAL 111 CO -0.63 0.34 0.11 0.00 0.02 0.00 0.00 177.57 177.41 1jtn h ALA 112 N 0.93 1.10 -0.00 1.67 0.00 -0.12 0.75 119.26 123.60 1jtn h ALA 112 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jtn h ALA 112 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1jtn h ALA 112 CO 0.02 -0.10 -0.04 0.41 0.00 0.00 0.00 179.25 179.53 1jtn n GLY 113 N -1.15 -0.84 2.22 0.00 0.00 -0.97 -4.16 105.19 100.29 1jtn n GLY 113 Ca -0.02 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1jtn n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jtn n PHE 114 N -0.81 1.04 0.00 1.61 3.01 0.26 -4.80 117.46 117.76 1jtn n PHE 114 Ca 0.19 -1.77 0.00 0.00 1.01 0.00 0.00 57.45 56.88 1jtn n PHE 114 Cb 0.23 -1.35 0.00 0.00 -0.01 0.00 0.00 39.48 38.35 1jtn n PHE 114 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jtn n THR 115 N 1.31 0.00 -0.15 4.37 -1.04 -1.26 0.83 114.28 118.35 1jtn n THR 115 Ca 0.42 1.11 -0.05 0.00 -2.04 0.00 0.00 64.05 63.49 1jtn n THR 115 Cb 0.66 -1.51 0.04 0.00 -1.82 0.00 0.00 70.33 67.70 1jtn n THR 115 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1jtn h ASN 116 N 0.00 0.28 -0.40 8.00 -0.26 -1.97 0.51 115.58 121.75 1jtn h ASN 116 Ca 0.00 0.04 -0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1jtn h ASN 116 Cb 0.00 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1jtn h ASN 116 CO 0.00 0.20 0.25 0.28 -1.06 0.00 0.00 177.43 177.10 1jtn h SER 117 N 0.42 0.48 -0.75 5.81 0.02 -1.82 0.33 113.55 118.04 1jtn h SER 117 Ca 0.21 -0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.19 1jtn h SER 117 Cb 0.15 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 1jtn h SER 117 CO -0.17 0.39 0.41 -0.07 -1.14 0.00 0.00 176.83 176.25 1jtn h LEU 118 N 0.53 0.59 0.82 5.07 3.38 0.12 0.19 115.31 126.01 1jtn h LEU 118 Ca 0.14 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1jtn h LEU 118 Cb -0.01 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1jtn h LEU 118 CO -0.03 0.35 -0.39 -0.09 0.09 0.00 0.00 178.44 178.37 1jtn h ARG 119 N 0.72 -1.06 -1.08 1.13 2.43 0.10 -0.02 114.38 116.61 1jtn h ARG 119 Ca 0.35 0.07 0.29 0.00 -0.81 0.00 0.00 59.98 59.89 1jtn h ARG 119 Cb 0.30 0.24 -0.10 0.00 -0.42 0.00 0.00 29.97 29.99 1jtn h ARG 119 CO -0.23 -0.70 0.69 0.52 -1.51 0.00 0.00 179.97 178.75 1jtn h MET 120 N -1.15 0.33 -0.38 0.20 2.86 0.16 1.61 114.93 118.57 1jtn h MET 120 Ca -0.11 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 1jtn h MET 120 Cb 0.85 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1jtn h MET 120 CO 0.18 0.22 -0.28 -0.07 1.06 0.00 0.00 176.91 178.02 1jtn h LEU 121 N 0.34 0.82 -0.83 1.22 3.38 -0.22 1.10 115.31 121.13 1jtn h LEU 121 Ca 0.63 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 58.15 1jtn h LEU 121 Cb 1.66 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 1jtn h LEU 121 CO -0.31 1.05 -0.48 -0.61 0.09 0.00 0.00 178.44 178.18 1jtn h GLN 122 N 0.68 0.26 -0.01 1.13 4.15 0.41 -2.29 115.11 119.43 1jtn h GLN 122 Ca 0.08 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1jtn h GLN 122 Cb 0.81 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.51 1jtn h GLN 122 CO 0.07 0.69 0.00 1.04 -1.93 0.00 0.00 178.83 178.69 1jtn n GLN 123 N -3.97 1.28 -1.03 1.69 6.02 0.13 -4.87 117.38 116.63 1jtn n GLN 123 Ca -0.02 -0.40 -0.01 0.00 -0.01 0.00 0.00 57.00 56.56 1jtn n GLN 123 Cb 0.53 -1.47 -0.00 0.00 1.02 0.00 0.00 30.24 30.31 1jtn n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jtn n LYS 124 N -0.49 -0.77 -0.74 -1.09 4.76 -0.62 -4.88 118.16 114.33 1jtn n LYS 124 Ca 0.21 0.27 -0.22 0.00 -2.87 0.00 0.00 58.31 55.71 1jtn n LYS 124 Cb 0.21 -3.90 -0.02 0.00 -1.84 0.00 0.00 35.03 29.48 1jtn n LYS 124 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jtn n ARG 125 N -1.57 2.07 0.00 1.97 1.74 0.37 -4.75 116.66 116.49 1jtn n ARG 125 Ca -0.01 -1.43 0.00 0.00 -0.77 0.00 0.00 57.85 55.64 1jtn n ARG 125 Cb 0.21 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 1jtn n ARG 125 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1jtn n TRP 126 N 4.14 0.00 0.12 -1.55 5.03 -1.26 -0.42 117.44 123.49 1jtn n TRP 126 Ca 0.44 0.00 -0.13 0.00 3.03 0.00 0.00 57.50 60.84 1jtn n TRP 126 Cb 0.15 -0.20 -0.08 0.00 -1.03 0.00 0.00 31.31 30.15 1jtn n TRP 126 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 1jtn h ASP 127 N 0.00 -1.17 -0.79 -0.99 5.19 -1.87 0.52 116.42 117.31 1jtn h ASP 127 Ca 0.00 0.12 0.20 0.00 -0.62 0.00 0.00 57.03 56.72 1jtn h ASP 127 Cb 0.00 0.42 -0.05 0.00 0.18 0.00 0.00 39.33 39.89 1jtn h ASP 127 CO 0.00 -0.45 0.55 -0.08 -3.12 0.00 0.00 179.24 176.14 1jtn h GLU 128 N -0.62 0.20 -0.00 3.56 4.81 -1.88 0.77 114.58 121.42 1jtn h GLU 128 Ca -0.02 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1jtn h GLU 128 Cb 0.60 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1jtn h GLU 128 CO -0.17 0.13 -0.00 0.00 -0.73 0.00 0.00 179.01 178.24 1jtn h ALA 129 N 1.63 0.00 0.00 2.92 0.00 -0.18 -0.08 119.26 123.56 1jtn h ALA 129 Ca 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jtn h ALA 129 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1jtn h ALA 129 CO -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 178.98 1jtn n ALA 130 N -2.41 1.36 -0.09 0.00 0.00 0.18 -0.46 120.51 119.10 1jtn n ALA 130 Ca -0.09 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.13 1jtn n ALA 130 Cb 0.31 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.53 1jtn n ALA 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jtn n VAL 131 N -1.43 1.59 -0.10 0.00 0.31 0.24 -3.82 118.33 115.13 1jtn n VAL 131 Ca 0.02 -0.59 -0.12 0.00 -0.01 0.00 0.00 64.34 63.64 1jtn n VAL 131 Cb 0.07 -1.54 -0.04 0.00 -0.91 0.00 0.00 33.84 31.42 1jtn n VAL 131 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1jtn h ASN 132 N -0.01 0.59 -0.77 4.52 -1.24 -0.25 -3.00 115.58 115.42 1jtn h ASN 132 Ca -0.53 -0.39 0.13 0.00 0.71 0.00 0.00 56.30 56.22 1jtn h ASN 132 Cb 1.93 -0.16 -0.09 0.00 0.73 0.00 0.00 38.32 40.73 1jtn h ASN 132 CO -0.04 0.84 0.36 -0.07 -1.29 0.00 0.00 177.43 177.23 1jtn h LEU 133 N 0.33 0.41 0.00 0.34 3.38 -0.97 -1.01 115.31 117.79 1jtn h LEU 133 Ca 0.07 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1jtn h LEU 133 Cb 0.60 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1jtn h LEU 133 CO 0.04 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.75 1jtn n ALA 134 N -2.45 1.69 0.16 1.53 0.00 -1.13 -1.84 120.51 118.45 1jtn n ALA 134 Ca 0.14 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.60 1jtn n ALA 134 Cb 0.38 -1.08 0.09 0.00 0.00 0.00 0.00 19.45 18.84 1jtn n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jtn n LYS 135 N -1.00 1.60 -1.82 0.00 5.02 -0.38 -4.89 118.16 116.68 1jtn n LYS 135 Ca 0.04 -1.55 -0.30 0.00 -2.02 0.00 0.00 58.31 54.48 1jtn n LYS 135 Cb 0.02 -1.23 0.05 0.00 -0.02 0.00 0.00 35.03 33.85 1jtn n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1jtn s SER 136 N -0.94 5.34 0.50 4.39 1.04 -0.77 -4.94 113.70 118.32 1jtn s SER 136 Ca 0.17 1.19 0.29 0.00 0.48 0.00 0.00 55.95 58.07 1jtn s SER 136 Cb 0.10 -1.99 1.02 0.00 0.10 0.00 0.00 66.02 65.26 1jtn s SER 136 CO 0.14 -1.42 1.86 0.03 0.98 0.00 0.00 173.24 174.83 1jtn h ARG 137 N -0.71 0.00 0.51 4.02 2.47 -1.95 -2.38 114.38 116.35 1jtn h ARG 137 Ca -0.45 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.25 1jtn h ARG 137 Cb 1.25 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.57 1jtn h ARG 137 CO 0.63 0.06 -0.30 2.35 0.56 0.00 0.00 179.97 183.27 1jtn h TRP 138 N 0.00 -0.80 -0.79 3.04 7.01 -1.92 0.11 115.95 122.60 1jtn h TRP 138 Ca -0.00 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.03 1jtn h TRP 138 Cb 0.69 0.28 -0.05 0.00 -2.10 0.00 0.00 29.16 27.99 1jtn h TRP 138 CO 0.00 -0.47 0.52 -0.92 -2.79 0.00 0.00 178.44 174.78 1jtn h TYR 139 N -0.77 0.93 0.30 2.65 3.20 -1.75 -1.13 116.97 120.39 1jtn h TYR 139 Ca -0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1jtn h TYR 139 Cb 0.63 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1jtn h TYR 139 CO -0.09 0.53 -0.22 -0.97 -1.64 0.00 0.00 178.16 175.78 1jtn h ASN 140 N 0.96 -0.58 -0.70 -2.11 -0.73 -0.87 0.17 115.58 111.71 1jtn h ASN 140 Ca 0.32 0.04 -0.06 0.00 1.87 0.00 0.00 56.30 58.47 1jtn h ASN 140 Cb 0.07 0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.81 1jtn h ASN 140 CO -0.10 -0.32 0.20 1.56 -0.37 0.00 0.00 177.43 178.41 1jtn h GLN 141 N -0.50 1.10 -1.80 6.67 4.20 -0.68 -3.28 115.11 120.82 1jtn h GLN 141 Ca -0.04 -0.25 -0.57 0.00 0.06 0.00 0.00 58.65 57.86 1jtn h GLN 141 Cb 0.41 -0.15 -0.42 0.00 0.30 0.00 0.00 27.48 27.62 1jtn h GLN 141 CO 0.02 0.96 -0.75 0.25 -0.67 0.00 0.00 178.83 178.63 1jtn n THR 142 N -4.28 2.42 -0.32 -0.54 -2.24 -0.44 -4.92 114.28 103.97 1jtn n THR 142 Ca 0.05 -5.04 0.15 0.00 -2.27 0.00 0.00 64.05 56.95 1jtn n THR 142 Cb 0.23 -1.14 0.32 0.00 -2.10 0.00 0.00 70.33 67.65 1jtn n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1jtn h PRO 143 N 2.78 0.10 0.16 -0.78 0.13 -1.02 0.39 132.00 133.76 1jtn h PRO 143 Ca 0.20 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 1jtn h PRO 143 Cb 0.78 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1jtn h PRO 143 CO 0.80 0.06 -0.08 -0.91 -0.23 0.00 0.00 178.00 177.64 1jtn h ASN 144 N 0.10 -0.19 -0.84 1.44 2.35 -1.91 -2.13 115.58 114.39 1jtn h ASN 144 Ca 0.60 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1jtn h ASN 144 Cb 1.27 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.65 1jtn h ASN 144 CO -0.77 0.23 0.53 -0.09 -1.65 0.00 0.00 177.43 175.68 1jtn h ARG 145 N -0.64 1.14 0.19 0.81 9.65 -1.73 -2.89 114.38 120.91 1jtn h ARG 145 Ca -0.02 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1jtn h ARG 145 Cb 0.47 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1jtn h ARG 145 CO 0.04 0.78 -0.15 0.00 2.80 0.00 0.00 179.97 183.43 1jtn h ALA 146 N 1.42 -0.33 -0.63 2.80 0.00 -0.25 -2.43 119.26 119.84 1jtn h ALA 146 Ca 0.31 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.27 1jtn h ALA 146 Cb -0.08 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1jtn h ALA 146 CO -0.06 -0.70 0.19 -0.22 0.00 0.00 0.00 179.25 178.46 1jtn h LYS 147 N -0.36 0.33 -0.79 0.00 1.63 -1.18 0.08 116.57 116.29 1jtn h LYS 147 Ca -0.01 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1jtn h LYS 147 Cb 0.32 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.83 1jtn h LYS 147 CO -0.01 0.22 0.50 -0.09 -3.45 0.00 0.00 179.45 176.62 1jtn h ARG 148 N 0.34 1.05 0.02 1.90 2.43 -1.33 -1.36 114.38 117.44 1jtn h ARG 148 Ca 0.33 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1jtn h ARG 148 Cb 0.46 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1jtn h ARG 148 CO -0.37 0.72 -0.01 0.28 -1.51 0.00 0.00 179.97 179.08 1jtn h VAL 149 N 1.08 1.24 -0.06 0.20 2.07 -0.56 -2.94 116.25 117.28 1jtn h VAL 149 Ca 0.29 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1jtn h VAL 149 Cb -0.08 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1jtn h VAL 149 CO -0.06 0.21 -0.06 0.40 0.02 0.00 0.00 177.57 178.08 1jtn h ILE 150 N -0.39 0.83 -0.71 4.57 2.04 -0.97 -2.44 117.51 120.44 1jtn h ILE 150 Ca -0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.99 1jtn h ILE 150 Cb 0.37 0.83 -0.13 0.00 -0.74 0.00 0.00 36.82 37.14 1jtn h ILE 150 CO 0.01 0.00 -0.24 0.74 0.00 0.00 0.00 178.15 178.65 1jtn h THR 151 N -0.08 0.21 -0.11 -0.27 2.02 -1.29 2.55 112.91 115.95 1jtn h THR 151 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.26 1jtn h THR 151 Cb 0.14 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1jtn h THR 151 CO -0.10 0.00 0.14 0.74 0.37 0.00 0.00 175.52 176.67 1jtn h THR 152 N -0.05 0.42 0.00 3.16 2.02 -1.26 0.18 112.91 117.38 1jtn h THR 152 Ca 0.32 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.46 1jtn h THR 152 Cb 0.55 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1jtn h THR 152 CO -0.75 0.00 -0.24 -0.26 0.37 0.00 0.00 175.52 174.64 1jtn h PHE 153 N 0.00 0.00 0.00 3.16 0.04 0.44 0.16 116.94 120.74 1jtn h PHE 153 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1jtn h PHE 153 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1jtn h PHE 153 CO 0.00 0.84 0.00 2.89 -0.60 0.00 0.00 178.31 181.44 1jtn n ARG 154 N -4.61 0.95 0.00 1.51 1.85 0.30 -3.95 116.66 112.71 1jtn n ARG 154 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 1jtn n ARG 154 Cb 0.41 -1.10 0.00 0.00 -1.05 0.00 0.00 32.46 30.72 1jtn n ARG 154 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1jtn n THR 155 N -0.39 0.00 -2.14 8.89 -2.24 0.59 -4.82 114.28 114.16 1jtn n THR 155 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1jtn n THR 155 Cb 0.05 -0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1jtn n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jtn n GLY 156 N 1.28 0.13 0.00 3.38 0.00 0.56 -5.02 105.19 105.52 1jtn n GLY 156 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1jtn n GLY 156 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jtn n THR 157 N -3.97 0.00 -0.29 2.61 -2.24 -1.25 -4.78 114.28 104.36 1jtn n THR 157 Ca -0.07 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.77 1jtn n THR 157 Cb 0.55 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.95 1jtn n THR 157 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1jtn n TRP 158 N 0.00 0.52 -0.02 4.78 5.03 -1.26 -4.61 117.44 121.88 1jtn n TRP 158 Ca 0.00 -0.55 0.23 0.00 3.03 0.00 0.00 57.50 60.21 1jtn n TRP 158 Cb 0.00 -0.07 0.72 0.00 -1.03 0.00 0.00 31.31 30.93 1jtn n TRP 158 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 1jtn h ASP 159 N 1.96 0.00 0.79 -0.99 5.19 -1.96 -0.94 116.42 120.47 1jtn h ASP 159 Ca 0.00 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1jtn h ASP 159 Cb 0.83 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.32 1jtn h ASP 159 CO 0.03 0.00 -0.58 0.00 -3.12 0.00 0.00 179.24 175.57 1jtn h ALA 160 N 1.58 0.89 -0.29 3.45 0.00 -1.88 -3.17 119.26 119.84 1jtn h ALA 160 Ca 0.28 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jtn h ALA 160 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jtn h ALA 160 CO -0.00 0.72 0.00 0.66 0.00 0.00 0.00 179.25 180.63 1jtn n TYR 161 N -3.62 0.36 0.00 0.00 4.02 -0.38 -4.75 117.16 112.78 1jtn n TYR 161 Ca -0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 1jtn n TYR 161 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.95 1jtn n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1jtn n LYS 162 N 1.37 0.00 -0.27 -0.72 4.76 -1.04 0.07 118.16 122.34 1jtn n LYS 162 Ca 0.18 0.05 0.33 0.00 -2.87 0.00 0.00 58.31 56.00 1jtn n LYS 162 Cb 0.59 -0.83 0.68 0.00 -1.84 0.00 0.00 35.03 33.63 1jtn n LYS 162 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1jtn h ASN 163 N 0.00 0.00 0.40 4.39 2.35 -1.85 0.35 115.58 121.22 1jtn h ASN 163 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1jtn h ASN 163 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1jtn h ASN 163 CO 0.00 0.00 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.52 1jtn h LEU 164 N 0.00 -0.46 -0.35 1.61 3.38 -1.80 0.97 115.31 118.66 1jtn h LEU 164 Ca 0.53 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.51 1jtn h LEU 164 Cb 2.44 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 43.22 1jtn h LEU 164 CO -0.01 -0.02 -0.28 -0.08 0.09 0.00 0.00 178.44 178.14 1jtn h GLU 165 N -1.08 -0.22 -0.71 1.13 4.81 0.25 0.77 114.58 119.53 1jtn h GLU 165 Ca -0.06 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1jtn h GLU 165 Cb 0.49 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.85 1jtn h GLU 165 CO 0.09 -0.15 0.32 1.15 -0.73 0.00 0.00 179.01 179.69 1jtn h THR 166 N -0.23 0.79 -2.93 0.32 2.02 -0.51 -3.05 112.91 109.32 1jtn h THR 166 Ca 0.17 -0.18 -0.78 0.00 0.77 0.00 0.00 66.41 66.39 1jtn h THR 166 Cb 0.50 0.21 -0.24 0.00 -1.74 0.00 0.00 68.15 66.88 1jtn h THR 166 CO -0.49 0.10 0.87 0.00 0.37 0.00 0.00 175.52 176.37 1jtn n TYR 167 N -4.92 4.89 0.00 3.16 9.36 0.33 -2.89 117.16 127.11 1jtn n TYR 167 Ca 0.11 -3.59 0.00 0.00 3.32 0.00 0.00 57.90 57.74 1jtn n TYR 167 Cb 0.31 -1.86 0.00 0.00 -0.63 0.00 0.00 39.34 37.16 1jtn n TYR 167 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1jtn n TYR 168 N 3.68 0.00 -4.15 2.98 4.01 -0.86 -4.60 117.16 118.23 1jtn n TYR 168 Ca 0.29 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.74 1jtn n TYR 168 Cb 0.40 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.35 1jtn n TYR 168 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1jtn s THR 169 N -0.22 3.91 0.00 -0.72 2.01 -1.14 -4.53 115.64 114.95 1jtn s THR 169 Ca 0.00 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 60.89 1jtn s THR 169 Cb 0.00 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.62 1jtn s THR 169 CO 0.00 0.06 0.00 0.00 -0.69 0.00 0.00 174.62 173.99 1jtn n ILE 170 N 0.41 0.00 0.00 1.82 0.00 -1.26 -4.76 119.36 115.56 1jtn n ILE 170 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.64 1jtn n ILE 170 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.17 1jtn n ILE 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jtn n GLY 171 N -1.39 0.00 0.00 4.50 0.00 -1.26 0.70 105.19 107.74 1jtn n GLY 171 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jtn n GLY 171 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jtn n ILE 172 N 0.00 0.00 -0.05 -0.61 5.41 -1.26 -2.04 119.36 120.80 1jtn n ILE 172 Ca 0.00 1.09 -0.08 0.00 1.00 0.00 0.00 62.75 64.76 1jtn n ILE 172 Cb 0.00 -1.46 -0.02 0.00 -0.71 0.00 0.00 39.64 37.46 1jtn n ILE 172 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1jtn h GLY 173 N 0.00 -0.12 0.46 7.39 0.00 -0.10 -3.55 103.07 107.15 1jtn h GLY 173 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1jtn h GLY 173 CO 0.00 -0.20 0.00 1.57 0.00 0.00 0.00 176.54 177.91