#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 -3.61 -0.34 6.12 6.94 -1.26 -4.26 115.26 118.84 1jtn n ASN 2 Ca 0.00 0.06 -0.02 0.00 -0.02 0.00 0.00 54.58 54.60 1jtn n ASN 2 Cb 0.00 -0.52 0.13 0.00 -2.36 0.00 0.00 39.78 37.03 1jtn n ASN 2 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1jtn h ILE 3 N -0.87 1.25 -0.21 1.53 2.04 -1.95 0.16 117.51 119.45 1jtn h ILE 3 Ca -0.36 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.06 1jtn h ILE 3 Cb 1.19 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1jtn h ILE 3 CO 0.19 0.25 -0.01 -0.26 0.00 0.00 0.00 178.15 178.32 1jtn h PHE 4 N 1.29 -0.03 0.00 1.37 -1.00 -1.99 0.33 116.94 116.91 1jtn h PHE 4 Ca 0.35 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 61.02 1jtn h PHE 4 Cb -0.12 0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 1jtn h PHE 4 CO 0.00 -0.04 -0.58 0.93 -1.61 0.00 0.00 178.31 177.01 1jtn h GLU 5 N 0.06 0.00 -0.12 1.51 5.08 -1.75 -0.63 114.58 118.73 1jtn h GLU 5 Ca 0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1jtn h GLU 5 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1jtn h GLU 5 CO -0.18 0.58 -0.14 1.98 -1.00 0.00 0.00 179.01 180.25 1jtn h MET 6 N 0.00 0.30 -0.05 2.33 4.05 -0.05 -2.44 114.93 119.07 1jtn h MET 6 Ca -0.01 -0.17 -0.14 0.00 -0.28 0.00 0.00 59.70 59.11 1jtn h MET 6 Cb 1.08 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.88 1jtn h MET 6 CO 0.08 0.73 -0.60 -0.07 0.23 0.00 0.00 176.91 177.27 1jtn h LEU 7 N -0.10 0.19 -0.50 3.39 3.38 -0.39 -2.26 115.31 119.02 1jtn h LEU 7 Ca 0.02 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1jtn h LEU 7 Cb 0.68 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1jtn h LEU 7 CO 0.03 0.75 0.17 -0.09 0.09 0.00 0.00 178.44 179.40 1jtn h ARG 8 N 0.12 0.34 -0.04 1.13 9.65 -1.02 0.42 114.38 124.98 1jtn h ARG 8 Ca -0.01 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1jtn h ARG 8 Cb 1.09 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1jtn h ARG 8 CO 0.09 0.22 -0.01 0.82 2.80 0.00 0.00 179.97 183.90 1jtn h ILE 9 N 0.35 1.28 0.34 1.20 2.04 -1.34 0.70 117.51 122.08 1jtn h ILE 9 Ca 0.24 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1jtn h ILE 9 Cb 0.26 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1jtn h ILE 9 CO -0.25 0.23 -0.24 0.44 0.00 0.00 0.00 178.15 178.33 1jtn h ASP 10 N -0.25 -0.63 0.57 1.72 3.32 -0.98 -3.27 116.42 116.91 1jtn h ASP 10 Ca 0.01 0.04 -0.26 0.00 0.02 0.00 0.00 57.03 56.85 1jtn h ASP 10 Cb 0.37 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1jtn h ASP 10 CO 0.00 -0.38 -1.17 -0.33 -1.72 0.00 0.00 179.24 175.65 1jtn h GLU 11 N -0.58 0.30 -0.59 3.56 4.39 -0.25 -3.51 114.58 117.90 1jtn h GLU 11 Ca -0.03 -0.45 0.07 0.00 0.34 0.00 0.00 59.36 59.28 1jtn h GLU 11 Cb 0.50 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1jtn h GLU 11 CO 0.01 1.19 -0.15 0.41 -1.16 0.00 0.00 179.01 179.30 1jtn n GLY 12 N 1.38 -1.99 3.17 -3.84 0.00 0.24 -4.29 105.19 99.86 1jtn n GLY 12 Ca -0.08 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 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 -5.11 2.08 -0.08 0.99 2.96 -1.26 -3.93 118.68 114.33 1jtn s LEU 13 Ca 0.00 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.32 1jtn s LEU 13 Cb 0.00 -1.41 0.03 0.00 0.50 0.00 0.00 46.19 45.30 1jtn s LEU 13 CO 0.00 0.08 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.95 1jtn s ARG 14 N 0.78 1.02 0.31 1.98 1.81 -0.65 -4.97 118.95 119.23 1jtn s ARG 14 Ca -0.08 -0.07 0.24 0.00 -1.72 0.00 0.00 55.73 54.09 1jtn s ARG 14 Cb -0.16 -1.21 0.41 0.00 -0.45 0.00 0.00 34.95 33.55 1jtn s ARG 14 CO -0.01 -0.25 1.53 -0.07 -0.68 0.00 0.00 175.30 175.82 1jtn h LEU 15 N 8.09 0.00 -8.76 2.53 3.38 -1.87 1.28 115.31 119.96 1jtn h LEU 15 Ca -0.26 -0.02 -0.68 0.00 0.09 0.00 0.00 57.88 57.01 1jtn h LEU 15 Cb 1.13 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.63 1jtn h LEU 15 CO 0.35 0.01 -0.77 -1.59 0.09 0.00 0.00 178.44 176.53 1jtn s LYS 16 N -3.20 2.90 0.38 1.13 -2.85 -1.26 -0.93 119.74 115.91 1jtn s LYS 16 Ca 0.07 -0.70 -0.23 0.00 -1.00 0.00 0.00 55.97 54.11 1jtn s LYS 16 Cb 0.09 -2.48 -0.15 0.00 -2.06 0.00 0.00 37.83 33.23 1jtn s LYS 16 CO 0.68 0.43 0.34 -0.89 0.10 0.00 0.00 175.35 176.00 1jtn n ILE 17 N 2.88 1.28 -3.85 3.79 5.41 -0.28 -4.80 119.36 123.80 1jtn n ILE 17 Ca -0.18 -0.50 -0.07 0.00 1.00 0.00 0.00 62.75 63.00 1jtn n ILE 17 Cb 0.52 -0.22 -0.01 0.00 -0.71 0.00 0.00 39.64 39.22 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 -1.49 -0.15 -0.29 1.39 -0.85 0.41 -4.98 117.35 111.38 1jtn s TYR 18 Ca 0.61 -0.34 -0.09 0.00 -0.52 0.00 0.00 57.07 56.73 1jtn s TYR 18 Cb -0.67 0.73 0.13 0.00 0.38 0.00 0.00 41.96 42.53 1jtn s TYR 18 CO 0.60 -1.27 0.63 -1.59 -1.52 0.00 0.00 175.55 172.40 1jtn s LYS 19 N -3.69 0.57 1.05 -3.49 -2.85 -1.26 0.11 119.74 110.18 1jtn s LYS 19 Ca 0.12 1.41 -0.16 0.00 -1.00 0.00 0.00 55.97 56.33 1jtn s LYS 19 Cb -0.06 0.83 0.07 0.00 -2.06 0.00 0.00 37.83 36.61 1jtn s LYS 19 CO 0.07 -0.23 0.13 -0.25 0.10 0.00 0.00 175.35 175.18 1jtn n ASP 20 N 5.45 -2.32 -0.33 0.03 8.00 -1.26 -4.72 116.55 121.39 1jtn n ASP 20 Ca -0.11 0.05 0.18 0.00 0.71 0.00 0.00 54.79 55.62 1jtn n ASP 20 Cb 0.49 -1.05 0.42 0.00 -0.02 0.00 0.00 41.12 40.96 1jtn n ASP 20 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1jtn h THR 21 N -1.86 0.59 0.00 -3.53 1.35 -2.01 -1.26 112.91 106.18 1jtn h THR 21 Ca -0.50 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.16 1jtn h THR 21 Cb 1.33 -0.02 -0.04 0.00 -1.73 0.00 0.00 68.15 67.69 1jtn h THR 21 CO 0.36 0.10 -0.42 1.21 -0.25 0.00 0.00 175.52 176.52 1jtn n GLU 22 N -4.75 1.31 -3.53 4.72 4.07 -1.26 -5.06 120.64 116.14 1jtn n GLU 22 Ca 0.25 -2.92 -0.22 0.00 -0.06 0.00 0.00 57.16 54.21 1jtn n GLU 22 Cb 0.74 -1.40 -0.01 0.00 -0.06 0.00 0.00 31.44 30.71 1jtn n GLU 22 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jtn n GLY 23 N -1.01 2.96 3.97 8.31 0.00 -0.48 -5.15 105.19 113.79 1jtn n GLY 23 Ca 0.16 -2.29 -0.19 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.27 2.96 0.01 1.61 1.51 -1.26 -4.47 117.35 115.44 1jtn s TYR 24 Ca 0.21 -0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 55.66 1jtn s TYR 24 Cb -0.02 -2.10 -0.08 0.00 -0.11 0.00 0.00 41.96 39.66 1jtn s TYR 24 CO 0.13 -0.12 1.87 0.71 -1.11 0.00 0.00 175.55 177.04 1jtn s TYR 25 N -2.27 1.49 0.21 2.71 2.02 -1.23 -4.25 117.35 116.04 1jtn s TYR 25 Ca 0.48 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.94 1jtn s TYR 25 Cb -0.09 -4.14 -0.05 0.00 -0.40 0.00 0.00 41.96 37.28 1jtn s TYR 25 CO 0.31 -5.04 0.05 0.99 -1.57 0.00 0.00 175.55 170.30 1jtn s THR 26 N 4.36 0.58 0.10 -0.71 2.01 0.30 -0.63 115.64 121.65 1jtn s THR 26 Ca 0.84 -1.99 -0.25 0.00 0.31 0.00 0.00 61.69 60.60 1jtn s THR 26 Cb -0.40 -2.39 0.07 0.00 0.01 0.00 0.00 72.50 69.80 1jtn s THR 26 CO 0.38 -0.22 0.64 -0.51 -0.69 0.00 0.00 174.62 174.21 1jtn s ILE 27 N -3.73 0.00 0.00 1.82 2.07 -0.35 -0.45 121.20 120.56 1jtn s ILE 27 Ca 0.31 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 1jtn s ILE 27 Cb 0.07 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.66 1jtn s ILE 27 CO 0.09 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.73 1jtn n GLY 28 N -0.07 3.31 3.36 1.50 0.00 0.44 -1.64 105.19 112.09 1jtn n GLY 28 Ca -0.17 -0.14 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 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 5.75 -1.76 -0.61 1.01 -1.25 -1.63 121.20 122.71 1jtn s ILE 29 Ca 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 60.65 57.59 1jtn s ILE 29 Cb 0.00 -4.63 0.00 0.00 0.01 0.00 0.00 42.46 37.84 1jtn s ILE 29 CO 0.00 -1.23 0.00 0.61 0.00 0.00 0.00 174.94 174.32 1jtn n GLY 30 N 3.24 -0.09 3.54 6.18 0.00 -1.25 -4.90 105.19 111.91 1jtn n GLY 30 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.93 2.80 0.04 1.61 5.04 -0.65 -4.92 115.29 116.28 1jtn s HIS 31 Ca 0.00 0.18 -0.31 0.00 -1.54 0.00 0.00 55.06 53.39 1jtn s HIS 31 Cb 0.00 -4.12 -0.06 0.00 0.04 0.00 0.00 32.58 28.44 1jtn s HIS 31 CO 0.00 -1.32 1.34 -1.17 -2.34 0.00 0.00 174.74 171.25 1jtn s LEU 32 N 4.06 4.34 -0.18 8.88 1.98 -1.26 -1.21 118.68 135.29 1jtn s LEU 32 Ca 0.35 2.13 -0.12 0.00 -2.89 0.00 0.00 54.13 53.60 1jtn s LEU 32 Cb -0.11 -3.57 -0.22 0.00 0.66 0.00 0.00 46.19 42.95 1jtn s LEU 32 CO 0.22 -0.64 0.20 0.18 -1.89 0.00 0.00 176.35 174.42 1jtn n LEU 33 N 4.65 2.35 -3.62 -0.68 4.77 0.20 -4.98 117.00 119.70 1jtn n LEU 33 Ca 0.12 0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 56.32 1jtn n LEU 33 Cb 0.44 -1.02 -0.02 0.00 -2.33 0.00 0.00 43.42 40.48 1jtn n LEU 33 CO 0.58 0.64 1.08 0.28 -1.33 0.00 0.00 177.39 178.64 1jtn s THR 34 N -2.48 0.00 -2.18 -5.08 -1.32 -1.23 -4.84 115.64 98.50 1jtn s THR 34 Ca -0.27 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.38 1jtn s THR 34 Cb 0.07 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.48 1jtn s THR 34 CO 0.67 0.00 1.43 0.29 -2.21 0.00 0.00 174.62 174.80 1jtn n LYS 35 N -0.03 1.87 -2.81 7.08 4.76 -1.26 -3.47 118.16 124.30 1jtn n LYS 35 Ca 0.02 -1.33 -0.32 0.00 -2.87 0.00 0.00 58.31 53.82 1jtn n LYS 35 Cb 0.57 -1.37 -0.05 0.00 -1.84 0.00 0.00 35.03 32.35 1jtn n LYS 35 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1jtn s SER 36 N -1.33 6.68 0.25 4.39 0.15 -1.26 -4.99 113.70 117.59 1jtn s SER 36 Ca 0.31 1.37 0.13 0.00 0.70 0.00 0.00 55.95 58.46 1jtn s SER 36 Cb 0.16 -2.42 0.01 0.00 -1.71 0.00 0.00 66.02 62.07 1jtn s SER 36 CO 0.23 -0.39 1.41 -0.65 1.20 0.00 0.00 173.24 175.05 1jtn h PRO 37 N 1.55 0.00 -6.49 5.44 0.11 -2.01 -3.42 132.00 127.18 1jtn h PRO 37 Ca -0.48 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 1jtn h PRO 37 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 1jtn h PRO 37 CO 0.63 0.59 0.60 0.45 -0.21 0.00 0.00 178.00 180.06 1jtn s SER 38 N -6.51 7.02 0.30 -2.05 0.15 -1.26 -4.90 113.70 106.46 1jtn s SER 38 Ca 0.03 2.08 0.00 0.00 0.70 0.00 0.00 55.95 58.76 1jtn s SER 38 Cb 0.08 -2.58 0.51 0.00 -1.71 0.00 0.00 66.02 62.32 1jtn s SER 38 CO 0.76 -0.51 1.91 0.25 1.20 0.00 0.00 173.24 176.85 1jtn h LEU 39 N 6.83 0.92 -0.06 3.45 5.85 -2.00 -2.26 115.31 128.04 1jtn h LEU 39 Ca -0.42 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1jtn h LEU 39 Cb 1.21 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1jtn h LEU 39 CO 0.82 0.59 -0.16 0.78 -0.34 0.00 0.00 178.44 180.14 1jtn h ASN 40 N 1.05 -0.47 -0.57 1.25 2.35 -1.99 0.92 115.58 118.13 1jtn h ASN 40 Ca 0.39 0.08 0.08 0.00 -0.55 0.00 0.00 56.30 56.30 1jtn h ASN 40 Cb 0.18 0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1jtn h ASN 40 CO -0.14 -0.21 0.38 0.00 -1.65 0.00 0.00 177.43 175.81 1jtn h ALA 41 N 0.76 1.97 -0.10 -0.83 0.00 -1.81 0.28 119.26 119.53 1jtn h ALA 41 Ca 0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1jtn h ALA 41 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1jtn h ALA 41 CO -0.20 -0.09 -0.34 0.00 0.00 0.00 0.00 179.25 178.63 1jtn h ALA 42 N 1.71 0.17 -0.55 0.00 0.00 -1.04 -2.50 119.26 117.05 1jtn h ALA 42 Ca 0.26 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1jtn h ALA 42 Cb 0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1jtn h ALA 42 CO -0.07 0.24 0.33 0.87 0.00 0.00 0.00 179.25 180.62 1jtn h LYS 43 N -0.04 0.63 -0.20 0.00 1.57 0.18 -0.68 116.57 118.03 1jtn h LYS 43 Ca -0.01 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1jtn h LYS 43 Cb 0.97 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 33.09 1jtn h LYS 43 CO 0.07 0.42 -0.11 1.03 -0.57 0.00 0.00 179.45 180.29 1jtn h SER 44 N 0.65 -0.37 -0.63 0.86 0.87 -0.47 0.24 113.55 114.71 1jtn h SER 44 Ca 0.22 0.09 0.08 0.00 -1.23 0.00 0.00 61.79 60.95 1jtn h SER 44 Cb 0.03 0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.12 1jtn h SER 44 CO -0.10 -0.15 0.30 -0.33 -0.53 0.00 0.00 176.83 176.02 1jtn h GLU 45 N -0.10 0.52 0.64 2.24 4.39 -0.97 -0.78 114.58 120.52 1jtn h GLU 45 Ca 0.11 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1jtn h GLU 45 Cb 0.27 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1jtn h GLU 45 CO -0.26 0.34 -0.41 1.25 -1.16 0.00 0.00 179.01 178.77 1jtn h LEU 46 N 0.53 -1.05 -0.77 1.33 5.85 0.12 0.98 115.31 122.30 1jtn h LEU 46 Ca 0.30 0.06 0.18 0.00 0.84 0.00 0.00 57.88 59.26 1jtn h LEU 46 Cb 0.29 0.31 -0.12 0.00 0.37 0.00 0.00 40.66 41.52 1jtn h LEU 46 CO -0.24 -0.62 0.18 0.44 -0.34 0.00 0.00 178.44 177.86 1jtn h ASP 47 N -0.99 -0.00 -0.49 1.25 3.32 -0.42 1.18 116.42 120.26 1jtn h ASP 47 Ca -0.09 0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.21 1jtn h ASP 47 Cb 0.80 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1jtn h ASP 47 CO 0.08 -0.06 0.34 0.11 -1.72 0.00 0.00 179.24 177.98 1jtn h LYS 48 N 0.26 0.30 0.14 3.56 1.57 -0.71 0.86 116.57 122.55 1jtn h LYS 48 Ca 0.44 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.96 1jtn h LYS 48 Cb 0.79 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.04 1jtn h LYS 48 CO -0.55 0.20 -1.19 0.00 -0.57 0.00 0.00 179.45 177.34 1jtn h ALA 49 N 1.75 0.04 -0.15 3.86 0.00 0.36 -3.38 119.26 121.74 1jtn h ALA 49 Ca 0.23 -0.91 -0.13 0.00 0.00 0.00 0.00 54.91 54.09 1jtn h ALA 49 Cb 0.49 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1jtn h ALA 49 CO -0.05 0.64 -0.43 0.82 0.00 0.00 0.00 179.25 180.23 1jtn h ILE 50 N -0.29 1.35 0.00 0.00 1.08 0.11 -3.48 117.51 116.29 1jtn h ILE 50 Ca -0.24 -1.71 0.00 0.00 -0.39 0.00 0.00 64.86 62.52 1jtn h ILE 50 Cb 1.76 2.03 0.00 0.00 -3.07 0.00 0.00 36.82 37.54 1jtn h ILE 50 CO 0.12 0.52 0.00 0.61 -0.69 0.00 0.00 178.15 178.71 1jtn n GLY 51 N 0.55 1.05 3.51 5.37 0.00 0.29 -5.07 105.19 110.89 1jtn n GLY 51 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.87 1.74 -0.46 1.61 1.70 -1.19 -5.04 118.95 116.45 1jtn s ARG 52 Ca 0.00 -1.57 -0.25 0.00 -0.47 0.00 0.00 55.73 53.44 1jtn s ARG 52 Cb 0.00 0.44 0.03 0.00 -0.57 0.00 0.00 34.95 34.85 1jtn s ARG 52 CO 0.00 -0.72 0.89 1.21 -1.08 0.00 0.00 175.30 175.60 1jtn s ASN 53 N -3.15 6.48 -0.13 -2.89 3.84 -1.26 -4.23 114.94 113.60 1jtn s ASN 53 Ca 0.28 0.06 0.09 0.00 0.21 0.00 0.00 52.86 53.50 1jtn s ASN 53 Cb -0.00 -2.43 -0.23 0.00 -0.55 0.00 0.00 41.25 38.03 1jtn s ASN 53 CO 0.15 -1.01 0.33 0.35 -2.79 0.00 0.00 177.10 174.13 1jtn n THR 54 N 6.34 1.56 -2.63 -5.21 -2.24 -1.26 -4.98 114.28 105.87 1jtn n THR 54 Ca 0.05 -0.76 -0.19 0.00 -2.27 0.00 0.00 64.05 60.88 1jtn n THR 54 Cb 0.48 -1.04 0.01 0.00 -2.10 0.00 0.00 70.33 67.68 1jtn n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jtn n ASN 55 N -3.06 -5.51 -0.36 3.42 5.15 -1.26 -2.27 115.26 111.37 1jtn n ASN 55 Ca -0.28 -0.13 -0.04 0.00 -0.60 0.00 0.00 54.58 53.53 1jtn n ASN 55 Cb 1.07 -4.46 -0.01 0.00 -0.53 0.00 0.00 39.78 35.85 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 -1.22 0.57 2.93 8.20 0.00 -1.26 -4.99 105.19 109.42 1jtn n GLY 56 Ca -0.16 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1jtn n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jtn s VAL 57 N -2.17 -0.02 0.29 1.61 -7.23 -0.96 -1.12 120.40 110.80 1jtn s VAL 57 Ca 0.00 0.09 0.04 0.00 -1.81 0.00 0.00 61.98 60.30 1jtn s VAL 57 Cb 0.00 -0.17 -0.06 0.00 0.56 0.00 0.00 36.38 36.71 1jtn s VAL 57 CO 0.00 0.04 0.02 0.27 -0.31 0.00 0.00 175.10 175.11 1jtn s ILE 58 N 0.56 1.24 0.66 -0.62 -4.36 -0.10 -4.73 121.20 113.84 1jtn s ILE 58 Ca -0.04 -2.03 -0.03 0.00 -0.26 0.00 0.00 60.65 58.28 1jtn s ILE 58 Cb -0.06 -2.61 0.06 0.00 1.25 0.00 0.00 42.46 41.11 1jtn s ILE 58 CO -0.02 -0.14 0.93 0.42 0.24 0.00 0.00 174.94 176.36 1jtn s THR 59 N -3.27 2.40 0.19 8.37 -4.23 -1.26 -4.76 115.64 113.07 1jtn s THR 59 Ca 0.33 -0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.28 1jtn s THR 59 Cb 0.07 -2.95 0.11 0.00 1.34 0.00 0.00 72.50 71.07 1jtn s THR 59 CO 0.13 0.00 1.79 0.50 -0.54 0.00 0.00 174.62 176.50 1jtn h LYS 60 N -0.37 0.92 -0.56 3.99 3.64 -1.99 -1.57 116.57 120.63 1jtn h LYS 60 Ca -0.43 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1jtn h LYS 60 Cb 1.30 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1jtn h LYS 60 CO 0.54 0.71 0.36 -0.44 -2.27 0.00 0.00 179.45 178.35 1jtn h ASP 61 N 0.90 0.62 -0.41 4.20 3.32 -1.99 -0.82 116.42 122.23 1jtn h ASP 61 Ca 0.23 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1jtn h ASP 61 Cb 0.07 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1jtn h ASP 61 CO -0.03 0.45 0.23 -0.33 -1.72 0.00 0.00 179.24 177.83 1jtn h GLU 62 N 0.74 0.45 -0.16 3.56 5.08 -1.86 -0.50 114.58 121.89 1jtn h GLU 62 Ca 0.21 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1jtn h GLU 62 Cb -0.06 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 1jtn h GLU 62 CO -0.06 0.30 -0.10 0.00 -1.00 0.00 0.00 179.01 178.15 1jtn h ALA 63 N 1.20 0.03 -0.49 3.43 0.00 -0.89 -1.50 119.26 121.05 1jtn h ALA 63 Ca 0.17 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1jtn h ALA 63 Cb 0.04 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1jtn h ALA 63 CO -0.09 -0.54 -0.52 0.93 0.00 0.00 0.00 179.25 179.02 1jtn h GLU 64 N -0.10 -0.29 -0.45 0.00 5.08 -0.31 0.15 114.58 118.66 1jtn h GLU 64 Ca 0.10 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 1jtn h GLU 64 Cb 0.24 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.46 1jtn h GLU 64 CO -0.22 -0.19 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.23 1jtn h LYS 65 N -0.30 -0.04 -0.72 2.33 3.64 -0.84 0.38 116.57 121.02 1jtn h LYS 65 Ca 0.08 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1jtn h LYS 65 Cb 0.52 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1jtn h LYS 65 CO -0.61 -0.03 0.46 -0.07 -2.27 0.00 0.00 179.45 176.93 1jtn h LEU 66 N -0.04 0.77 -0.12 5.20 3.38 -0.30 -1.40 115.31 122.79 1jtn h LEU 66 Ca 0.22 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1jtn h LEU 66 Cb 0.37 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1jtn h LEU 66 CO -0.49 0.54 0.00 0.15 0.09 0.00 0.00 178.44 178.73 1jtn h PHE 67 N 0.91 0.00 -0.27 1.13 3.57 0.47 0.59 116.94 123.34 1jtn h PHE 67 Ca 0.28 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.82 1jtn h PHE 67 Cb -0.01 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1jtn h PHE 67 CO -0.03 -0.01 0.08 -0.91 -2.23 0.00 0.00 178.31 175.21 1jtn h ASN 68 N 0.04 0.08 -0.81 0.41 2.35 -0.53 0.12 115.58 117.24 1jtn h ASN 68 Ca 0.05 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.89 1jtn h ASN 68 Cb 0.06 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.41 1jtn h ASN 68 CO -0.09 0.08 0.53 1.56 -1.65 0.00 0.00 177.43 177.86 1jtn h GLN 69 N 0.20 0.89 -0.29 0.81 4.20 -0.88 0.25 115.11 120.28 1jtn h GLN 69 Ca 0.12 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 1jtn h GLN 69 Cb 0.10 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1jtn h GLN 69 CO -0.13 0.59 -0.26 -0.44 -0.67 0.00 0.00 178.83 177.91 1jtn h ASP 70 N 0.91 0.74 -0.35 1.46 3.32 0.04 -1.44 116.42 121.10 1jtn h ASP 70 Ca 0.34 -0.46 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 1jtn h ASP 70 Cb 0.18 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1jtn h ASP 70 CO -0.11 1.04 -0.18 0.58 -1.72 0.00 0.00 179.24 178.85 1jtn h VAL 71 N 0.44 1.27 -0.54 -1.35 2.07 -0.14 -1.73 116.25 116.26 1jtn h VAL 71 Ca 0.05 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 1jtn h VAL 71 Cb 0.83 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1jtn h VAL 71 CO 0.07 0.44 0.05 -0.78 0.02 0.00 0.00 177.57 177.37 1jtn h ASP 72 N 0.73 0.84 -0.12 0.57 1.82 -0.48 0.10 116.42 119.88 1jtn h ASP 72 Ca 0.11 -0.19 -0.14 0.00 -0.39 0.00 0.00 57.03 56.42 1jtn h ASP 72 Cb 0.69 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 1jtn h ASP 72 CO 0.05 0.87 -0.42 0.00 -1.61 0.00 0.00 179.24 178.13 1jtn h ALA 73 N 1.23 0.76 0.33 -0.78 0.00 -1.05 -0.08 119.26 119.68 1jtn h ALA 73 Ca 0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1jtn h ALA 73 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jtn h ALA 73 CO 0.01 0.66 -0.16 0.00 0.00 0.00 0.00 179.25 179.76 1jtn h ALA 74 N 1.00 -0.45 0.07 0.00 0.00 -0.88 -0.35 119.26 118.65 1jtn h ALA 74 Ca 0.04 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1jtn h ALA 74 Cb 0.95 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1jtn h ALA 74 CO 0.09 -0.64 -0.26 0.28 0.00 0.00 0.00 179.25 178.71 1jtn h VAL 75 N -0.66 0.41 -0.30 0.00 2.07 -0.95 -1.63 116.25 115.19 1jtn h VAL 75 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 1jtn h VAL 75 Cb 0.47 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1jtn h VAL 75 CO 0.08 0.00 -0.35 -0.09 0.02 0.00 0.00 177.57 177.23 1jtn h ARG 76 N -0.45 -0.31 -0.59 1.57 2.43 -1.01 -1.08 114.38 114.94 1jtn h ARG 76 Ca 0.04 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.36 1jtn h ARG 76 Cb 0.50 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.02 1jtn h ARG 76 CO -0.18 -0.21 -0.00 0.78 -1.51 0.00 0.00 179.97 178.85 1jtn h GLY 77 N -0.32 0.62 0.85 2.80 0.00 -0.66 -1.15 103.07 105.21 1jtn h GLY 77 Ca 0.14 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.58 1jtn h GLY 77 CO -0.48 -0.19 0.48 -2.22 0.00 0.00 0.00 176.54 174.13 1jtn h ILE 78 N 0.12 1.10 -0.17 2.60 2.04 -0.31 -2.45 117.51 120.44 1jtn h ILE 78 Ca 0.31 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.72 1jtn h ILE 78 Cb 0.49 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1jtn h ILE 78 CO -0.51 0.17 -0.45 -0.07 0.00 0.00 0.00 178.15 177.29 1jtn h LEU 79 N 0.92 0.44 -0.84 1.44 3.38 -0.07 -2.70 115.31 117.88 1jtn h LEU 79 Ca 0.31 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jtn h LEU 79 Cb 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1jtn h LEU 79 CO -0.12 0.83 -0.13 0.54 0.09 0.00 0.00 178.44 179.64 1jtn n ARG 80 N -4.00 1.34 -3.55 1.13 3.00 -0.67 -4.77 116.66 109.15 1jtn n ARG 80 Ca -0.02 -0.84 -0.39 0.00 -0.01 0.00 0.00 57.85 56.59 1jtn n ARG 80 Cb 0.53 -1.48 -0.11 0.00 0.00 0.00 0.00 32.46 31.40 1jtn n ARG 80 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1jtn s ASN 81 N -2.24 6.05 0.63 0.55 3.84 -0.93 -4.97 114.94 117.88 1jtn s ASN 81 Ca 0.30 -0.07 0.35 0.00 0.21 0.00 0.00 52.86 53.66 1jtn s ASN 81 Cb 0.20 -2.13 2.00 0.00 -0.55 0.00 0.00 41.25 40.77 1jtn s ASN 81 CO 0.42 -0.11 2.23 0.00 -2.79 0.00 0.00 177.10 176.85 1jtn h ALA 82 N 8.38 1.36 0.09 1.71 0.00 -1.87 0.18 119.26 129.10 1jtn h ALA 82 Ca -0.34 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.25 1jtn h ALA 82 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1jtn h ALA 82 CO 0.58 -0.11 -1.76 0.87 0.00 0.00 0.00 179.25 178.83 1jtn h LYS 83 N 0.00 0.19 0.17 0.00 1.57 -1.93 -3.38 116.57 113.18 1jtn h LYS 83 Ca 0.02 -0.32 -0.33 0.00 -1.87 0.00 0.00 60.65 58.15 1jtn h LYS 83 Cb 0.19 0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.63 1jtn h LYS 83 CO -0.00 0.98 -1.63 -0.07 -0.57 0.00 0.00 179.45 178.15 1jtn h LEU 84 N 0.05 0.55 0.00 2.94 3.38 -1.68 -3.37 115.31 117.19 1jtn h LEU 84 Ca -0.32 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 56.88 1jtn h LEU 84 Cb 2.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1jtn h LEU 84 CO 0.11 1.64 0.00 1.17 0.09 0.00 0.00 178.44 181.45 1jtn n LYS 85 N -3.55 0.00 -0.29 1.13 0.00 0.58 0.30 118.16 116.33 1jtn n LYS 85 Ca -0.20 0.59 0.22 0.00 0.00 0.00 0.00 58.31 58.92 1jtn n LYS 85 Cb 1.07 -1.29 0.41 0.00 0.00 0.00 0.00 35.03 35.22 1jtn n LYS 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1jtn n PRO 86 N -1.84 -0.06 0.06 1.64 -0.04 -1.26 0.33 135.00 133.83 1jtn n PRO 86 Ca 0.00 1.25 -0.13 0.00 -0.04 0.00 0.00 63.50 64.58 1jtn n PRO 86 Cb 0.00 -2.13 -0.09 0.00 -0.04 0.00 0.00 33.50 31.24 1jtn n PRO 86 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jtn h VAL 87 N 0.00 1.06 -0.86 0.52 2.07 -1.51 -2.95 116.25 114.57 1jtn h VAL 87 Ca 0.66 -0.88 0.16 0.00 0.82 0.00 0.00 66.70 67.46 1jtn h VAL 87 Cb 1.61 1.59 -0.10 0.00 -1.52 0.00 0.00 31.29 32.87 1jtn h VAL 87 CO -0.73 0.20 0.43 0.22 0.02 0.00 0.00 177.57 177.71 1jtn h TYR 88 N -0.59 0.74 -0.87 1.57 5.03 0.45 -0.83 116.97 122.46 1jtn h TYR 88 Ca -0.02 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1jtn h TYR 88 Cb 0.46 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.50 1jtn h TYR 88 CO 0.06 0.14 0.55 -0.44 -1.32 0.00 0.00 178.16 177.15 1jtn h ASP 89 N 0.58 1.03 1.52 -2.11 3.32 -0.81 -2.79 116.42 117.16 1jtn h ASP 89 Ca 0.48 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1jtn h ASP 89 Cb 0.73 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1jtn h ASP 89 CO -0.39 0.77 0.00 0.77 -1.72 0.00 0.00 179.24 178.66 1jtn h SER 90 N 1.20 0.00 -3.88 6.45 4.64 -0.99 -3.46 113.55 117.51 1jtn h SER 90 Ca 0.32 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.15 1jtn h SER 90 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1jtn h SER 90 CO -0.06 0.00 0.21 -0.76 -0.87 0.00 0.00 176.83 175.35 1jtn s LEU 91 N -4.98 3.79 0.00 5.97 1.43 -0.96 -5.03 118.68 118.91 1jtn s LEU 91 Ca 0.09 1.32 -0.16 0.00 -1.03 0.00 0.00 54.13 54.35 1jtn s LEU 91 Cb 0.10 -4.21 0.23 0.00 0.03 0.00 0.00 46.19 42.34 1jtn s LEU 91 CO 0.60 -0.44 0.92 -0.90 0.23 0.00 0.00 176.35 176.76 1jtn n ASP 92 N -1.26 -1.38 0.06 2.29 5.75 -1.26 -4.74 116.55 116.00 1jtn n ASP 92 Ca 0.04 -1.12 -0.07 0.00 -0.01 0.00 0.00 54.79 53.63 1jtn n ASP 92 Cb 0.54 -0.80 0.09 0.00 -1.03 0.00 0.00 41.12 39.91 1jtn n ASP 92 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jtn h ALA 93 N -2.40 0.76 0.27 2.12 0.00 -1.97 -1.94 119.26 116.09 1jtn h ALA 93 Ca -0.33 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.01 1jtn h ALA 93 Cb 0.99 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1jtn h ALA 93 CO 0.22 0.73 -0.13 0.28 0.00 0.00 0.00 179.25 180.35 1jtn h VAL 94 N 0.25 0.78 -0.74 0.00 2.07 -1.93 -2.75 116.25 113.93 1jtn h VAL 94 Ca -0.01 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 1jtn h VAL 94 Cb 1.15 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1jtn h VAL 94 CO 0.10 0.11 0.32 0.03 0.02 0.00 0.00 177.57 178.15 1jtn h ARG 95 N -0.63 1.09 -0.95 1.57 3.08 -1.81 -1.29 114.38 115.44 1jtn h ARG 95 Ca -0.04 -0.18 0.21 0.00 0.07 0.00 0.00 59.98 60.04 1jtn h ARG 95 Cb 0.45 -0.18 -0.08 0.00 0.08 0.00 0.00 29.97 30.23 1jtn h ARG 95 CO 0.06 0.88 0.61 0.00 -1.07 0.00 0.00 179.97 180.45 1jtn h ARG 96 N 1.06 0.49 -0.70 0.04 3.08 -1.33 0.80 114.38 117.82 1jtn h ARG 96 Ca 0.25 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 1jtn h ARG 96 Cb 0.18 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1jtn h ARG 96 CO -0.02 0.33 0.27 0.00 -1.07 0.00 0.00 179.97 179.47 1jtn h ALA 97 N 1.62 0.91 -0.42 0.04 0.00 -0.94 -0.43 119.26 120.04 1jtn h ALA 97 Ca 0.51 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.27 1jtn h ALA 97 Cb 1.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1jtn h ALA 97 CO -0.24 0.53 0.22 0.00 0.00 0.00 0.00 179.25 179.76 1jtn h ALA 98 N 1.12 0.52 -0.57 0.00 0.00 0.10 -1.11 119.26 119.33 1jtn h ALA 98 Ca 0.23 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1jtn h ALA 98 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1jtn h ALA 98 CO -0.02 -0.12 -0.04 1.25 0.00 0.00 0.00 179.25 180.32 1jtn h LEU 99 N 0.45 1.02 -1.33 0.00 5.85 -0.94 -2.33 115.31 118.03 1jtn h LEU 99 Ca 0.17 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1jtn h LEU 99 Cb 0.06 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1jtn h LEU 99 CO -0.11 1.10 0.09 0.40 -0.34 0.00 0.00 178.44 179.59 1jtn h ILE 100 N 0.92 1.17 -0.54 4.05 2.04 -0.71 -1.35 117.51 123.09 1jtn h ILE 100 Ca 0.16 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 1jtn h ILE 100 Cb 0.60 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1jtn h ILE 100 CO 0.04 0.22 0.06 -1.13 0.00 0.00 0.00 178.15 177.34 1jtn h ASN 101 N 0.54 0.88 -0.30 1.72 -0.73 -0.90 0.62 115.58 117.40 1jtn h ASN 101 Ca 0.13 -0.27 -0.04 0.00 1.87 0.00 0.00 56.30 57.98 1jtn h ASN 101 Cb 0.20 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 1jtn h ASN 101 CO -0.00 0.93 0.04 0.24 -0.37 0.00 0.00 177.43 178.27 1jtn h MET 102 N 0.79 0.51 -0.92 6.67 2.86 -0.96 -1.63 114.93 122.25 1jtn h MET 102 Ca 0.16 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1jtn h MET 102 Cb 0.44 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1jtn h MET 102 CO 0.02 0.62 0.55 0.28 1.06 0.00 0.00 176.91 179.44 1jtn h VAL 103 N 0.33 1.25 -0.19 -2.22 2.07 -1.10 0.33 116.25 116.72 1jtn h VAL 103 Ca 0.09 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1jtn h VAL 103 Cb 0.36 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1jtn h VAL 103 CO 0.01 0.27 -0.25 0.15 0.02 0.00 0.00 177.57 177.77 1jtn h PHE 104 N 1.27 0.38 0.02 1.57 3.04 -0.75 0.43 116.94 122.91 1jtn h PHE 104 Ca 0.33 -0.07 -0.00 0.00 3.98 0.00 0.00 57.97 62.21 1jtn h PHE 104 Cb -0.05 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.37 1jtn h PHE 104 CO 0.00 0.57 -0.01 0.37 -2.02 0.00 0.00 178.31 177.22 1jtn h GLN 105 N 0.31 -0.03 -0.13 1.11 4.15 -0.28 -3.41 115.11 116.84 1jtn h GLN 105 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1jtn h GLN 105 Cb 0.61 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1jtn h GLN 105 CO 0.04 0.56 0.00 0.00 -1.93 0.00 0.00 178.83 177.51 1jtn n MET 106 N -4.72 1.36 0.00 1.69 0.00 0.10 -5.10 117.12 110.46 1jtn n MET 106 Ca -0.07 -1.43 0.00 0.00 0.00 0.00 0.00 57.70 56.21 1jtn n MET 106 Cb 0.29 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.32 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 0.46 -0.84 0.16 3.17 0.00 0.14 -4.14 105.19 104.14 1jtn n GLY 107 Ca 0.07 -1.55 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 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 0.06 0.02 1.61 4.81 -1.92 -1.05 114.58 118.11 1jtn h GLU 108 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1jtn h GLU 108 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1jtn h GLU 108 CO 0.00 0.58 -0.01 1.15 -0.73 0.00 0.00 179.01 180.00 1jtn h THR 109 N 0.05 1.21 0.18 0.32 2.02 -1.96 -0.39 112.91 114.34 1jtn h THR 109 Ca -0.00 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1jtn h THR 109 Cb 0.96 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1jtn h THR 109 CO 0.07 0.18 -0.09 1.23 0.37 0.00 0.00 175.52 177.29 1jtn h GLY 110 N -0.33 -0.25 1.01 2.16 0.00 -1.70 -2.68 103.07 101.28 1jtn h GLY 110 Ca -0.00 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.43 1jtn h GLY 110 CO 0.00 -0.09 0.65 -2.08 0.00 0.00 0.00 176.54 175.03 1jtn h VAL 111 N -0.30 1.25 0.00 4.60 2.07 -1.21 -0.28 116.25 122.39 1jtn h VAL 111 Ca -0.02 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1jtn h VAL 111 Cb 0.23 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1jtn h VAL 111 CO 0.04 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.87 1jtn n ALA 112 N -2.37 1.22 0.60 1.67 0.00 -0.16 -1.35 120.51 120.12 1jtn n ALA 112 Ca 0.12 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.84 1jtn n ALA 112 Cb 0.01 -1.33 0.46 0.00 0.00 0.00 0.00 19.45 18.59 1jtn n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jtn n GLY 113 N -0.93 -1.43 2.33 0.00 0.00 -0.11 -4.24 105.19 100.80 1jtn n GLY 113 Ca -0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.01 2.26 -0.28 1.61 3.01 -0.45 -4.82 117.46 116.78 1jtn n PHE 114 Ca 0.04 -2.89 -0.11 0.00 1.01 0.00 0.00 57.45 55.50 1jtn n PHE 114 Cb 0.31 -2.25 -0.08 0.00 -0.01 0.00 0.00 39.48 37.45 1jtn n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1jtn h THR 115 N 2.81 0.01 0.20 4.37 2.02 -1.86 0.29 112.91 120.76 1jtn h THR 115 Ca 0.78 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.95 1jtn h THR 115 Cb 0.39 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1jtn h THR 115 CO 1.58 0.00 -0.10 0.78 0.37 0.00 0.00 175.52 178.15 1jtn h ASN 116 N -0.19 -0.23 -0.69 4.18 -0.26 -1.97 -2.33 115.58 114.08 1jtn h ASN 116 Ca 0.14 -0.26 0.11 0.00 -0.56 0.00 0.00 56.30 55.73 1jtn h ASN 116 Cb 0.52 0.06 -0.04 0.00 -1.06 0.00 0.00 38.32 37.79 1jtn h ASN 116 CO -0.77 0.18 0.46 0.28 -1.06 0.00 0.00 177.43 176.51 1jtn h SER 117 N -0.69 0.45 -0.37 5.81 0.02 -1.90 -1.00 113.55 115.87 1jtn h SER 117 Ca -0.03 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1jtn h SER 117 Cb 0.48 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1jtn h SER 117 CO 0.05 0.26 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.85 1jtn h LEU 118 N 0.49 0.70 -0.09 5.07 3.38 -0.39 -2.08 115.31 122.40 1jtn h LEU 118 Ca 0.32 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jtn h LEU 118 Cb 0.60 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1jtn h LEU 118 CO -0.10 0.90 0.05 -0.09 0.09 0.00 0.00 178.44 179.28 1jtn h ARG 119 N 0.50 0.12 -0.43 1.13 2.43 -0.66 -1.81 114.38 115.66 1jtn h ARG 119 Ca 0.09 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1jtn h ARG 119 Cb 0.58 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.03 1jtn h ARG 119 CO 0.03 0.17 -0.05 0.52 -1.51 0.00 0.00 179.97 179.14 1jtn h MET 120 N 0.04 0.06 -0.82 0.20 2.86 -1.22 0.13 114.93 116.18 1jtn h MET 120 Ca 0.03 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.76 1jtn h MET 120 Cb 0.09 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.68 1jtn h MET 120 CO -0.00 0.04 0.53 -0.07 1.06 0.00 0.00 176.91 178.47 1jtn h LEU 121 N 0.06 0.70 -0.55 1.22 3.38 -1.11 0.22 115.31 119.22 1jtn h LEU 121 Ca 0.21 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jtn h LEU 121 Cb 0.32 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1jtn h LEU 121 CO -0.40 0.42 0.00 -0.61 0.09 0.00 0.00 178.44 177.94 1jtn h GLN 122 N 0.78 0.00 -0.02 1.13 4.15 0.02 -2.66 115.11 118.51 1jtn h GLN 122 Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.80 1jtn h GLN 122 Cb 0.42 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1jtn h GLN 122 CO -0.15 0.00 -0.40 1.04 -1.93 0.00 0.00 178.83 177.39 1jtn n GLN 123 N -2.79 1.28 -1.62 1.69 6.02 0.42 -4.95 117.38 117.43 1jtn n GLN 123 Ca 0.03 -1.03 -0.07 0.00 -0.01 0.00 0.00 57.00 55.91 1jtn n GLN 123 Cb 0.39 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.16 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 0.04 -0.55 -1.96 -1.09 4.76 0.49 -4.91 118.16 114.94 1jtn n LYS 124 Ca 0.10 0.59 -0.41 0.00 -2.87 0.00 0.00 58.31 55.72 1jtn n LYS 124 Cb 0.47 -4.44 -0.01 0.00 -1.84 0.00 0.00 35.03 29.21 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 -2.31 4.07 -0.24 1.97 1.74 0.23 -4.80 116.66 117.32 1jtn n ARG 125 Ca -0.08 -3.21 -0.07 0.00 -0.77 0.00 0.00 57.85 53.72 1jtn n ARG 125 Cb 0.39 -2.78 -0.02 0.00 -1.02 0.00 0.00 32.46 29.03 1jtn n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1jtn h TRP 126 N 5.07 -1.18 0.00 -1.55 -0.00 -1.87 0.21 115.95 116.63 1jtn h TRP 126 Ca 0.64 0.08 -0.00 0.00 -0.00 0.00 0.00 58.89 59.61 1jtn h TRP 126 Cb 0.41 0.61 0.00 0.00 -0.00 0.00 0.00 29.16 30.18 1jtn h TRP 126 CO 1.55 -0.41 -0.00 -0.44 -0.00 0.00 0.00 178.44 179.14 1jtn h ASP 127 N -0.17 -0.00 -0.59 -3.49 5.19 -1.88 0.16 116.42 115.65 1jtn h ASP 127 Ca 0.22 -0.14 0.09 0.00 -0.62 0.00 0.00 57.03 56.57 1jtn h ASP 127 Cb 0.56 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.00 1jtn h ASP 127 CO -0.74 0.14 0.22 -0.33 -3.12 0.00 0.00 179.24 175.41 1jtn h GLU 128 N -0.14 0.40 -0.83 3.56 4.39 -1.85 0.11 114.58 120.22 1jtn h GLU 128 Ca -0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1jtn h GLU 128 Cb 0.14 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1jtn h GLU 128 CO 0.00 0.26 0.46 0.00 -1.16 0.00 0.00 179.01 178.57 1jtn h ALA 129 N 1.39 1.24 -0.48 3.43 0.00 -0.38 -0.79 119.26 123.67 1jtn h ALA 129 Ca 0.29 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1jtn h ALA 129 Cb 0.34 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jtn h ALA 129 CO -0.29 0.62 -0.18 0.00 0.00 0.00 0.00 179.25 179.40 1jtn h ALA 130 N 1.34 0.67 -0.18 0.00 0.00 0.60 -1.21 119.26 120.48 1jtn h ALA 130 Ca 0.29 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1jtn h ALA 130 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jtn h ALA 130 CO -0.05 0.63 0.07 0.28 0.00 0.00 0.00 179.25 180.19 1jtn h VAL 131 N 0.83 1.16 0.57 0.00 2.07 -0.47 -2.02 116.25 118.38 1jtn h VAL 131 Ca 0.11 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1jtn h VAL 131 Cb 0.75 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1jtn h VAL 131 CO 0.06 0.15 -0.28 -1.13 0.02 0.00 0.00 177.57 176.39 1jtn h ASN 132 N 0.14 -0.66 0.01 0.57 -1.24 -1.09 -2.56 115.58 110.75 1jtn h ASN 132 Ca 0.06 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 1jtn h ASN 132 Cb 0.17 0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.39 1jtn h ASN 132 CO -0.01 -0.47 -0.00 -0.07 -1.29 0.00 0.00 177.43 175.60 1jtn h LEU 133 N -0.77 0.00 -1.23 0.34 3.38 -1.23 -1.45 115.31 114.35 1jtn h LEU 133 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jtn h LEU 133 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1jtn h LEU 133 CO 0.12 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1jtn h ALA 134 N 2.00 1.00 -0.62 1.53 0.00 -0.92 -2.92 119.26 119.33 1jtn h ALA 134 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jtn h ALA 134 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jtn h ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1jtn n LYS 135 N -2.83 4.29 -2.35 0.00 5.02 -0.55 -4.75 118.16 116.99 1jtn n LYS 135 Ca 0.01 -3.03 -0.25 0.00 -2.02 0.00 0.00 58.31 53.02 1jtn n LYS 135 Cb 0.28 -2.07 0.05 0.00 -0.02 0.00 0.00 35.03 33.27 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 -0.87 5.14 0.17 4.39 1.04 -1.10 -4.97 113.70 117.49 1jtn s SER 136 Ca 0.53 0.45 -0.06 0.00 0.48 0.00 0.00 55.95 57.35 1jtn s SER 136 Cb 0.37 -1.25 0.04 0.00 0.10 0.00 0.00 66.02 65.28 1jtn s SER 136 CO 0.21 -1.35 1.46 0.03 0.98 0.00 0.00 173.24 174.57 1jtn h ARG 137 N -0.34 0.66 0.06 4.02 2.47 -1.93 -1.75 114.38 117.56 1jtn h ARG 137 Ca -0.44 -0.43 0.02 0.00 -1.26 0.00 0.00 59.98 57.87 1jtn h ARG 137 Cb 1.29 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 29.62 1jtn h ARG 137 CO 0.59 1.05 -0.51 2.35 0.56 0.00 0.00 179.97 184.00 1jtn h TRP 138 N 0.50 -1.49 -0.94 3.04 7.01 -1.94 1.39 115.95 123.52 1jtn h TRP 138 Ca 0.00 0.04 0.08 0.00 2.11 0.00 0.00 58.89 61.13 1jtn h TRP 138 Cb 1.14 0.64 -0.07 0.00 -2.10 0.00 0.00 29.16 28.78 1jtn h TRP 138 CO 0.06 -0.58 0.61 -0.92 -2.79 0.00 0.00 178.44 174.82 1jtn h TYR 139 N -0.70 1.08 -0.42 2.65 3.20 -1.79 0.23 116.97 121.22 1jtn h TYR 139 Ca 0.01 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1jtn h TYR 139 Cb 0.73 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1jtn h TYR 139 CO -0.47 0.53 -0.00 -0.97 -1.64 0.00 0.00 178.16 175.61 1jtn h ASN 140 N 1.04 0.74 1.12 -2.11 -0.73 -0.14 -0.90 115.58 114.60 1jtn h ASN 140 Ca 0.42 -0.31 -0.15 0.00 1.87 0.00 0.00 56.30 58.13 1jtn h ASN 140 Cb 0.27 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 1jtn h ASN 140 CO -0.17 0.87 -0.92 1.56 -0.37 0.00 0.00 177.43 178.39 1jtn h GLN 141 N 0.59 0.00 -1.81 6.67 4.20 0.25 -3.37 115.11 121.64 1jtn h GLN 141 Ca 0.12 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.34 1jtn h GLN 141 Cb 0.49 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.86 1jtn h GLN 141 CO 0.02 0.54 -1.01 0.25 -0.67 0.00 0.00 178.83 177.95 1jtn n THR 142 N -3.14 1.14 -0.23 -0.54 -2.24 0.73 -4.97 114.28 105.03 1jtn n THR 142 Ca -0.03 -4.55 -0.07 0.00 -2.27 0.00 0.00 64.05 57.14 1jtn n THR 142 Cb 0.82 -0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 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 2.95 -0.18 0.11 -0.78 0.13 -1.33 0.33 132.00 133.23 1jtn h PRO 143 Ca 0.09 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1jtn h PRO 143 Cb 0.90 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 1jtn h PRO 143 CO 0.62 -0.12 -0.23 -0.91 -0.23 0.00 0.00 178.00 177.13 1jtn h ASN 144 N -0.19 -0.65 0.07 1.44 2.35 -1.93 0.67 115.58 117.34 1jtn h ASN 144 Ca 0.21 0.08 0.01 0.00 -0.55 0.00 0.00 56.30 56.04 1jtn h ASN 144 Cb 0.56 0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 1jtn h ASN 144 CO -0.72 -0.32 -0.09 -0.09 -1.65 0.00 0.00 177.43 174.57 1jtn h ARG 145 N -0.42 -0.18 -0.87 0.81 9.65 -1.82 -2.26 114.38 119.29 1jtn h ARG 145 Ca 0.03 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1jtn h ARG 145 Cb 0.45 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 1jtn h ARG 145 CO -0.13 -0.12 0.57 0.00 2.80 0.00 0.00 179.97 183.09 1jtn h ALA 146 N 0.74 1.37 -0.87 2.80 0.00 -0.16 -1.90 119.26 121.24 1jtn h ALA 146 Ca 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1jtn h ALA 146 Cb 0.19 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1jtn h ALA 146 CO -0.04 0.58 0.56 -0.22 0.00 0.00 0.00 179.25 180.13 1jtn h LYS 147 N 1.18 1.07 -0.55 0.00 1.63 0.78 0.68 116.57 121.35 1jtn h LYS 147 Ca 0.32 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.94 1jtn h LYS 147 Cb -0.13 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.24 1jtn h LYS 147 CO -0.07 0.71 -0.08 0.00 -3.45 0.00 0.00 179.45 176.56 1jtn h ARG 148 N 1.10 1.03 -0.13 1.90 3.08 -0.80 -0.42 114.38 120.14 1jtn h ARG 148 Ca 0.34 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1jtn h ARG 148 Cb -0.02 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1jtn h ARG 148 CO -0.11 1.05 -0.07 0.28 -1.07 0.00 0.00 179.97 180.06 1jtn h VAL 149 N 0.92 1.32 -0.80 2.04 2.07 -0.95 -2.41 116.25 118.43 1jtn h VAL 149 Ca 0.15 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1jtn h VAL 149 Cb 0.64 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 1jtn h VAL 149 CO 0.04 0.32 0.43 0.40 0.02 0.00 0.00 177.57 178.78 1jtn h ILE 150 N -0.06 1.24 -0.27 4.57 2.04 -0.85 -1.42 117.51 122.75 1jtn h ILE 150 Ca 0.03 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 1jtn h ILE 150 Cb 0.53 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1jtn h ILE 150 CO 0.02 0.27 0.16 0.74 0.00 0.00 0.00 178.15 179.34 1jtn h THR 151 N 1.12 1.08 0.00 -0.27 2.02 -0.99 -0.03 112.91 115.84 1jtn h THR 151 Ca 0.28 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 1jtn h THR 151 Cb 0.05 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1jtn h THR 151 CO -0.04 0.09 -0.23 0.74 0.37 0.00 0.00 175.52 176.45 1jtn h THR 152 N 0.37 0.50 -0.02 3.16 2.02 -0.76 -2.60 112.91 115.59 1jtn h THR 152 Ca 0.10 -1.24 -0.16 0.00 0.77 0.00 0.00 66.41 65.88 1jtn h THR 152 Cb -0.00 1.87 0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1jtn h THR 152 CO -0.02 0.23 -0.61 -0.26 0.37 0.00 0.00 175.52 175.22 1jtn h PHE 153 N 0.00 0.66 0.00 3.16 0.04 -0.45 -0.31 116.94 120.04 1jtn h PHE 153 Ca -0.00 -0.34 -0.17 0.00 2.80 0.00 0.00 57.97 60.25 1jtn h PHE 153 Cb 0.86 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.90 1jtn h PHE 153 CO 0.00 1.16 -0.81 0.07 -0.60 0.00 0.00 178.31 178.12 1jtn h ARG 154 N -0.02 0.00 0.00 1.51 0.11 -1.37 -3.37 114.38 111.24 1jtn h ARG 154 Ca -0.07 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.63 1jtn h ARG 154 Cb 1.31 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.32 1jtn h ARG 154 CO 0.12 0.81 -2.44 0.25 0.10 0.00 0.00 179.97 178.81 1jtn n THR 155 N -3.52 1.45 -2.24 0.08 -2.24 -0.98 -4.83 114.28 102.00 1jtn n THR 155 Ca -0.00 -0.57 -0.05 0.00 -2.27 0.00 0.00 64.05 61.16 1jtn n THR 155 Cb 0.79 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 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 2.27 0.27 2.30 3.38 0.00 -0.13 -5.03 105.19 108.26 1jtn n GLY 156 Ca -0.44 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.79 0.00 -0.05 2.61 -2.24 -1.26 -4.81 114.28 104.74 1jtn n THR 157 Ca -0.04 -1.67 0.09 0.00 -2.27 0.00 0.00 64.05 60.16 1jtn n THR 157 Cb 0.54 0.69 0.22 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.57 0.60 -0.27 4.78 7.02 -1.26 -4.69 117.44 123.06 1jtn n TRP 158 Ca -0.01 -0.38 0.17 0.00 -1.02 0.00 0.00 57.50 56.26 1jtn n TRP 158 Cb 0.42 -0.01 0.32 0.00 -2.42 0.00 0.00 31.31 29.62 1jtn n TRP 158 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1jtn n ASP 159 N 1.18 0.04 0.28 -0.99 9.92 -1.26 0.16 116.55 125.88 1jtn n ASP 159 Ca 0.18 1.34 0.19 0.00 -0.53 0.00 0.00 54.79 55.96 1jtn n ASP 159 Cb 0.53 -0.54 0.88 0.00 -0.64 0.00 0.00 41.12 41.34 1jtn n ASP 159 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jtn h ALA 160 N 1.59 1.00 -0.22 2.24 0.00 -1.89 -2.02 119.26 119.96 1jtn h ALA 160 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1jtn h ALA 160 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1jtn h ALA 160 CO -0.70 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.21 1jtn n TYR 161 N -2.95 0.27 -0.09 0.00 4.01 0.43 -4.81 117.16 114.03 1jtn n TYR 161 Ca -0.01 -0.18 -0.04 0.00 -0.16 0.00 0.00 57.90 57.51 1jtn n TYR 161 Cb 0.19 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 1jtn n TYR 161 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jtn h LYS 162 N 3.53 -0.06 0.00 -0.72 1.79 -1.03 -2.66 116.57 117.41 1jtn h LYS 162 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jtn h LYS 162 Cb 0.81 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1jtn h LYS 162 CO 0.00 -0.04 -0.30 0.09 -1.08 0.00 0.00 179.45 178.12 1jtn n ASN 163 N -3.67 0.59 0.05 0.86 3.02 -1.26 -3.94 115.26 110.91 1jtn n ASN 163 Ca -0.00 0.28 -0.13 0.00 -0.03 0.00 0.00 54.58 54.69 1jtn n ASN 163 Cb 0.10 -0.24 -0.08 0.00 -0.61 0.00 0.00 39.78 38.94 1jtn n ASN 163 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1jtn h LEU 164 N 0.00 -0.09 -0.54 3.41 3.38 -1.83 0.37 115.31 120.00 1jtn h LEU 164 Ca 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1jtn h LEU 164 Cb 0.66 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1jtn h LEU 164 CO 0.00 0.16 0.29 -0.08 0.09 0.00 0.00 178.44 178.91 1jtn h GLU 165 N -0.35 0.75 -0.72 1.13 4.81 -1.61 0.34 114.58 118.93 1jtn h GLU 165 Ca -0.01 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1jtn h GLU 165 Cb 0.30 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1jtn h GLU 165 CO 0.02 0.58 0.29 1.15 -0.73 0.00 0.00 179.01 180.32 1jtn h THR 166 N 0.72 1.25 -0.07 0.32 2.02 -1.67 -1.44 112.91 114.04 1jtn h THR 166 Ca 0.19 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1jtn h THR 166 Cb 0.05 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1jtn h THR 166 CO -0.03 0.32 0.02 0.22 0.37 0.00 0.00 175.52 176.42 1jtn h TYR 167 N 1.03 0.11 -0.77 3.16 3.20 0.25 -2.20 116.97 121.75 1jtn h TYR 167 Ca 0.24 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 1jtn h TYR 167 Cb 0.21 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1jtn h TYR 167 CO 0.02 0.26 0.32 1.88 -1.64 0.00 0.00 178.16 178.99 1jtn h TYR 168 N -0.07 1.16 -3.32 -3.82 0.05 -0.15 -2.87 116.97 107.96 1jtn h TYR 168 Ca 0.02 -0.08 -0.66 0.00 0.05 0.00 0.00 58.73 58.06 1jtn h TYR 168 Cb 0.20 -0.35 -0.28 0.00 1.01 0.00 0.00 36.73 37.31 1jtn h TYR 168 CO -0.01 0.88 -0.75 0.95 -1.05 0.00 0.00 178.16 178.18 1jtn s THR 169 N -5.57 3.10 -1.34 -2.88 -4.23 -0.56 -4.63 115.64 99.53 1jtn s THR 169 Ca -0.12 -0.61 -0.04 0.00 -1.18 0.00 0.00 61.69 59.73 1jtn s THR 169 Cb 0.15 -2.35 -0.00 0.00 1.34 0.00 0.00 72.50 71.64 1jtn s THR 169 CO 0.83 0.48 0.54 0.00 -0.54 0.00 0.00 174.62 175.93 1jtn n ILE 170 N 4.23 -3.84 -4.45 2.99 0.00 -1.25 -4.48 119.36 112.55 1jtn n ILE 170 Ca -0.18 -0.58 -0.25 0.00 0.00 0.00 0.00 62.75 61.73 1jtn n ILE 170 Cb 0.52 -3.18 -0.10 0.00 0.00 0.00 0.00 39.64 36.88 1jtn n ILE 170 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1jtn s GLY 171 N -4.21 2.08 -0.49 4.50 0.00 -0.83 -4.51 107.32 103.86 1jtn s GLY 171 Ca 0.09 -2.00 -0.29 0.00 0.00 0.00 0.00 44.72 42.52 1jtn s GLY 171 CO 0.87 -1.96 0.65 1.39 0.00 0.00 0.00 173.10 174.04 1jtn n ILE 172 N -0.83 -5.74 0.00 0.90 5.41 -1.26 -4.44 119.36 113.41 1jtn n ILE 172 Ca -0.05 0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.95 1jtn n ILE 172 Cb 0.62 -4.47 0.00 0.00 -0.71 0.00 0.00 39.64 35.08 1jtn n ILE 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jtn n GLY 173 N -0.40 2.09 0.09 7.39 0.00 -1.26 -4.84 105.19 108.26 1jtn n GLY 173 Ca -0.06 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1jtn n GLY 173 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1jtn n HIS 174 N 0.00 0.00 -0.17 1.61 -0.00 -1.25 -3.85 115.22 111.56 1jtn n HIS 174 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 1jtn n HIS 174 Cb 0.00 -0.89 0.47 0.00 -0.00 0.00 0.00 29.99 29.57 1jtn n HIS 174 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1jtn h LEU 175 N 0.00 0.45 -0.58 0.27 6.46 -1.84 -0.32 115.31 119.75 1jtn h LEU 175 Ca -0.49 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1jtn h LEU 175 Cb 2.10 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.96 1jtn h LEU 175 CO 0.02 0.25 -0.58 0.18 -0.62 0.00 0.00 178.44 177.69 1jtn n LEU 176 N -4.49 1.48 0.00 2.25 7.99 -1.26 -4.97 117.00 118.00 1jtn n LEU 176 Ca 0.14 -0.55 0.00 0.00 -0.01 0.00 0.00 56.01 55.59 1jtn n LEU 176 Cb 0.47 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 1jtn n LEU 176 CO 0.33 0.29 0.00 0.35 -1.51 0.00 0.00 177.39 176.85