#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtg n VAL 2 N 0.00 1.85 -3.65 2.03 0.31 -1.26 -4.87 118.33 112.73 2jtg n VAL 2 Ca 0.00 -1.87 -0.02 0.00 -0.01 0.00 0.00 64.34 62.44 2jtg n VAL 2 Cb 0.00 -0.09 -0.07 0.00 -0.91 0.00 0.00 33.84 32.77 2jtg n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2jtg s GLN 3 N -2.48 0.04 0.47 5.55 2.00 -1.26 -4.60 119.66 119.38 2jtg s GLN 3 Ca 0.31 0.05 0.04 0.00 -2.00 0.00 0.00 55.36 53.76 2jtg s GLN 3 Cb 0.25 0.02 0.02 0.00 0.80 0.00 0.00 33.01 34.10 2jtg s GLN 3 CO 0.06 -0.00 0.66 -1.54 -0.50 0.00 0.00 175.29 173.96 2jtg s SER 4 N 0.11 5.54 0.33 6.67 1.04 -1.26 -4.41 113.70 121.73 2jtg s SER 4 Ca 0.06 -0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.37 2jtg s SER 4 Cb -0.05 -0.88 -0.04 0.00 0.10 0.00 0.00 66.02 65.15 2jtg s SER 4 CO -0.16 -0.89 0.12 0.00 0.98 0.00 0.00 173.24 173.30 2jtg h SER 6 N 2.08 0.49 -1.39 0.00 0.87 -1.75 -3.45 113.55 110.40 2jtg h SER 6 Ca -0.36 -0.52 -0.72 0.00 -1.23 0.00 0.00 61.79 58.96 2jtg h SER 6 Cb 1.26 -0.14 0.06 0.00 -0.44 0.00 0.00 62.40 63.14 2jtg h SER 6 CO 0.58 0.91 0.20 0.00 -0.53 0.00 0.00 176.83 177.99 2jtg n ALA 7 N -2.46 -2.21 -1.69 6.23 0.00 -1.26 -4.80 120.51 114.32 2jtg n ALA 7 Ca -0.06 0.54 -0.45 0.00 0.00 0.00 0.00 53.44 53.47 2jtg n ALA 7 Cb 0.43 -1.91 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 2jtg n ALA 7 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2jtg n TYR 8 N 1.79 2.46 -4.09 0.00 9.36 -1.26 -2.94 117.16 122.48 2jtg n TYR 8 Ca 0.19 0.10 -0.44 0.00 3.32 0.00 0.00 57.90 61.07 2jtg n TYR 8 Cb 0.15 -2.62 0.01 0.00 -0.63 0.00 0.00 39.34 36.25 2jtg n TYR 8 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2jtg n GLY 9 N 3.81 -0.74 3.83 2.98 0.00 -1.26 -4.90 105.19 108.92 2jtg n GLY 9 Ca 0.18 0.30 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 2jtg n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtg h LYS 11 N 0.32 0.00 -3.26 0.00 1.63 -1.93 -3.48 116.57 109.85 2jtg h LYS 11 Ca -0.46 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.04 2jtg h LYS 11 Cb 1.20 0.00 0.13 0.00 -0.60 0.00 0.00 32.23 32.96 2jtg h LYS 11 CO 0.60 0.24 -0.97 0.27 -3.45 0.00 0.00 179.45 176.14 2jtg n ASN 12 N -3.10 -3.15 -3.31 4.20 6.94 -1.26 -4.87 115.26 110.71 2jtg n ASN 12 Ca 0.02 0.13 0.03 0.00 -0.02 0.00 0.00 54.58 54.73 2jtg n ASN 12 Cb 0.64 -0.42 -0.03 0.00 -2.36 0.00 0.00 39.78 37.61 2jtg n ASN 12 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jtg s ARG 13 N -1.03 0.26 -1.20 -3.83 1.70 -1.26 -4.49 118.95 109.10 2jtg s ARG 13 Ca 0.23 0.60 -0.21 0.00 -0.47 0.00 0.00 55.73 55.87 2jtg s ARG 13 Cb -0.12 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.58 2jtg s ARG 13 CO 0.44 -0.14 1.86 -0.47 -1.08 0.00 0.00 175.30 175.91 2jtg s TYR 14 N 2.55 2.22 0.20 5.89 5.04 -1.26 -4.63 117.35 127.36 2jtg s TYR 14 Ca -0.01 -0.20 0.10 0.00 -2.44 0.00 0.00 57.07 54.52 2jtg s TYR 14 Cb -0.07 -4.25 -0.04 0.00 0.35 0.00 0.00 41.96 37.94 2jtg s TYR 14 CO -0.16 -1.43 -0.18 0.34 -1.34 0.00 0.00 175.55 172.78 2jtg s ASP 15 N 5.82 3.78 0.50 4.32 2.15 -1.25 -4.38 116.67 127.61 2jtg s ASP 15 Ca 0.63 -0.77 0.21 0.00 0.43 0.00 0.00 52.55 53.06 2jtg s ASP 15 Cb 0.00 -0.45 1.32 0.00 -0.30 0.00 0.00 42.92 43.50 2jtg s ASP 15 CO 0.10 0.10 2.08 0.50 -0.17 0.00 0.00 175.17 177.79 2jtg h LYS 16 N 2.98 0.00 0.00 4.34 3.64 -2.03 -3.10 116.57 122.39 2jtg h LYS 16 Ca -0.46 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.87 2jtg h LYS 16 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2jtg h LYS 16 CO 0.52 0.11 -0.40 -0.44 -2.27 0.00 0.00 179.45 176.97 2jtg h ASP 17 N 0.00 0.00 -2.87 4.20 5.19 -1.95 -3.44 116.42 117.54 2jtg h ASP 17 Ca -0.00 -0.40 -0.56 0.00 -0.62 0.00 0.00 57.03 55.44 2jtg h ASP 17 Cb 0.24 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.71 2jtg h ASP 17 CO 0.01 0.93 1.18 -0.75 -3.12 0.00 0.00 179.24 177.50 2jtg s LYS 18 N -2.08 3.37 0.00 3.56 2.47 -1.17 -4.88 119.74 121.02 2jtg s LYS 18 Ca -0.15 1.08 0.00 0.00 -1.56 0.00 0.00 55.97 55.34 2jtg s LYS 18 Cb 0.01 -4.14 0.00 0.00 -1.46 0.00 0.00 37.83 32.24 2jtg s LYS 18 CO 0.38 -1.82 1.21 -0.35 0.16 0.00 0.00 175.35 174.94 2jtg n PRO 19 N 8.37 0.84 -2.46 4.03 -0.04 -1.26 -3.93 135.00 140.54 2jtg n PRO 19 Ca 0.19 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.26 2jtg n PRO 19 Cb 0.48 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 2jtg n PRO 19 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jtg s VAL 20 N 0.23 3.90 0.90 0.52 0.11 -1.26 -4.98 120.40 119.82 2jtg s VAL 20 Ca 0.00 -1.16 -0.11 0.00 -2.93 0.00 0.00 61.98 57.78 2jtg s VAL 20 Cb 0.00 -4.94 0.13 0.00 -1.53 0.00 0.00 36.38 30.04 2jtg s VAL 20 CO 0.00 -1.76 1.10 -0.94 -3.33 0.00 0.00 175.10 170.16 2jtg s SER 21 N 5.20 3.31 0.08 3.54 1.04 -1.26 -4.73 113.70 120.89 2jtg s SER 21 Ca 0.54 1.76 0.07 0.00 0.48 0.00 0.00 55.95 58.80 2jtg s SER 21 Cb 0.01 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 2jtg s SER 21 CO 0.00 -2.79 -0.18 -0.36 0.98 0.00 0.00 173.24 170.89 2jtg s PHE 22 N -2.80 1.58 -0.03 5.02 0.40 -1.26 -1.22 117.98 119.67 2jtg s PHE 22 Ca 0.64 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.54 2jtg s PHE 22 Cb -0.20 -0.88 0.03 0.00 0.51 0.00 0.00 43.02 42.48 2jtg s PHE 22 CO 0.58 0.14 0.03 -1.01 0.70 0.00 0.00 175.22 175.66 2jtg s HIS 23 N -1.16 0.11 0.74 0.36 3.76 0.93 -4.88 115.29 115.15 2jtg s HIS 23 Ca 0.03 0.13 -0.11 0.00 -0.15 0.00 0.00 55.06 54.97 2jtg s HIS 23 Cb -0.10 -0.36 0.04 0.00 1.11 0.00 0.00 32.58 33.27 2jtg s HIS 23 CO 0.03 -0.13 1.08 0.15 -0.85 0.00 0.00 174.74 175.02 2jtg s LYS 24 N 1.41 2.53 0.21 1.40 1.02 -1.26 0.13 119.74 125.19 2jtg s LYS 24 Ca -0.05 1.02 -0.32 0.00 0.02 0.00 0.00 55.97 56.65 2jtg s LYS 24 Cb -0.13 -1.94 -0.11 0.00 -0.52 0.00 0.00 37.83 35.13 2jtg s LYS 24 CO -0.03 -1.41 1.66 -0.06 -0.92 0.00 0.00 175.35 174.59 2jtg s PHE 25 N -2.99 2.92 0.35 3.18 0.40 -0.27 -4.74 117.98 116.83 2jtg s PHE 25 Ca 0.60 0.50 -0.06 0.00 -0.60 0.00 0.00 56.93 57.37 2jtg s PHE 25 Cb -0.15 -4.07 -0.05 0.00 0.51 0.00 0.00 43.02 39.25 2jtg s PHE 25 CO 0.55 -3.95 0.64 -1.25 0.70 0.00 0.00 175.22 171.91 2jtg s PRO 26 N 0.85 3.64 -0.09 0.24 0.04 -1.26 -4.96 135.00 133.46 2jtg s PRO 26 Ca 0.71 0.11 0.09 0.00 0.04 0.00 0.00 61.00 61.95 2jtg s PRO 26 Cb -0.48 -2.55 -0.12 0.00 0.04 0.00 0.00 34.50 31.39 2jtg s PRO 26 CO 0.35 0.09 0.05 1.47 0.04 0.00 0.00 177.00 179.00 2jtg n LEU 27 N -1.29 0.00 0.25 -3.56 -0.00 -1.26 -4.49 117.00 106.66 2jtg n LEU 27 Ca -0.01 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.11 2jtg n LEU 27 Cb 0.54 0.21 0.67 0.00 -0.00 0.00 0.00 43.42 44.85 2jtg n LEU 27 CO 0.49 0.21 0.96 0.71 -0.00 0.00 0.00 177.39 179.76 2jtg h THR 28 N 0.00 0.75 -3.51 1.47 1.35 -1.99 -3.34 112.91 107.64 2jtg h THR 28 Ca -0.24 -0.53 -0.71 0.00 -0.55 0.00 0.00 66.41 64.38 2jtg h THR 28 Cb 1.49 1.32 -0.33 0.00 -1.73 0.00 0.00 68.15 68.90 2jtg h THR 28 CO 0.01 0.13 -0.35 -0.60 -0.25 0.00 0.00 175.52 174.47 2jtg s ARG 29 N -4.37 2.57 0.00 4.72 3.00 -1.26 -4.97 118.95 118.64 2jtg s ARG 29 Ca -0.03 -2.22 0.00 0.00 -1.00 0.00 0.00 55.73 52.47 2jtg s ARG 29 Cb 0.14 -3.84 0.00 0.00 0.00 0.00 0.00 34.95 31.26 2jtg s ARG 29 CO 0.62 -1.18 0.00 -0.35 0.00 0.00 0.00 175.30 174.39 2jtg n PRO 30 N 4.06 0.00 -0.09 5.12 -0.04 -1.26 -3.19 135.00 139.61 2jtg n PRO 30 Ca 0.03 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.57 2jtg n PRO 30 Cb 0.40 -0.62 -0.00 0.00 -0.04 0.00 0.00 33.50 33.24 2jtg n PRO 30 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jtg h SER 31 N 0.00 -0.66 -0.58 3.54 4.64 -1.95 0.73 113.55 119.27 2jtg h SER 31 Ca 0.00 0.14 0.04 0.00 -0.47 0.00 0.00 61.79 61.50 2jtg h SER 31 Cb 0.00 0.34 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 2jtg h SER 31 CO 0.00 -0.23 0.38 0.25 -0.87 0.00 0.00 176.83 176.36 2jtg h LEU 32 N -0.16 0.55 -1.99 5.97 5.85 -1.97 -0.91 115.31 122.65 2jtg h LEU 32 Ca 0.17 -0.00 0.27 0.00 0.84 0.00 0.00 57.88 59.15 2jtg h LEU 32 Cb 0.41 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2jtg h LEU 32 CO -0.42 0.38 0.67 0.00 -0.34 0.00 0.00 178.44 178.72 2jtg h LYS 34 N 0.01 0.69 -0.86 0.00 3.64 -0.71 0.60 116.57 119.94 2jtg h LYS 34 Ca 0.44 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.87 2jtg h LYS 34 Cb 1.77 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 33.37 2jtg h LYS 34 CO -0.01 0.46 0.52 0.93 -2.27 0.00 0.00 179.45 179.08 2jtg h GLU 35 N 0.71 0.87 -0.57 1.90 5.08 0.09 0.16 114.58 122.82 2jtg h GLU 35 Ca 0.49 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.86 2jtg h GLU 35 Cb 0.80 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2jtg h GLU 35 CO -0.25 0.58 0.38 -1.49 -1.00 0.00 0.00 179.01 177.23 2jtg h TRP 36 N 0.90 0.55 -0.96 4.33 4.06 0.15 0.22 115.95 125.20 2jtg h TRP 36 Ca 0.40 0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.48 2jtg h TRP 36 Cb 0.29 -0.18 -0.08 0.00 -1.00 0.00 0.00 29.16 28.18 2jtg h TRP 36 CO -0.04 0.30 0.59 0.93 -3.56 0.00 0.00 178.44 176.66 2jtg h GLU 37 N 0.55 0.90 -0.45 0.49 5.08 -0.30 0.46 114.58 121.32 2jtg h GLU 37 Ca 0.24 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2jtg h GLU 37 Cb 0.26 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2jtg h GLU 37 CO -0.07 0.60 0.12 0.00 -1.00 0.00 0.00 179.01 178.66 2jtg h ALA 38 N 1.53 1.37 -0.32 3.43 0.00 -0.50 -0.16 119.26 124.61 2jtg h ALA 38 Ca 0.48 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.32 2jtg h ALA 38 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2jtg h ALA 38 CO -0.27 0.45 0.33 0.00 0.00 0.00 0.00 179.25 179.76 2jtg h ALA 39 N 1.49 2.02 0.00 0.00 0.00 0.39 -3.04 119.26 120.12 2jtg h ALA 39 Ca 0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2jtg h ALA 39 Cb 0.23 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2jtg h ALA 39 CO -0.01 -0.49 -1.34 0.28 0.00 0.00 0.00 179.25 177.69 2jtg n VAL 40 N -3.83 1.50 -1.96 0.00 0.31 -0.23 -4.29 118.33 109.82 2jtg n VAL 40 Ca 0.05 -0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.21 2jtg n VAL 40 Cb 0.48 -2.20 -0.04 0.00 -0.91 0.00 0.00 33.84 31.17 2jtg n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2jtg n ARG 41 N -4.43 -1.65 0.00 5.55 0.63 -0.29 -4.41 116.66 112.06 2jtg n ARG 41 Ca -0.25 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 2jtg n ARG 41 Cb 0.58 -5.41 0.00 0.00 0.45 0.00 0.00 32.46 28.08 2jtg n ARG 41 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2jtg n ARG 42 N -2.54 3.68 0.00 -0.14 1.74 -1.26 -5.02 116.66 113.12 2jtg n ARG 42 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 2jtg n ARG 42 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 2jtg n ARG 42 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2jtg n LYS 43 N 0.00 0.93 -0.99 5.56 2.85 -1.26 -4.74 118.16 120.51 2jtg n LYS 43 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 2jtg n LYS 43 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 2jtg n LYS 43 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2jtg n ASN 44 N -0.10 2.20 -1.44 -5.58 3.02 -1.26 -4.82 115.26 107.29 2jtg n ASN 44 Ca 0.00 -2.63 -0.03 0.00 -0.03 0.00 0.00 54.58 51.88 2jtg n ASN 44 Cb 0.00 -0.97 -0.04 0.00 -0.61 0.00 0.00 39.78 38.16 2jtg n ASN 44 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2jtg n PHE 45 N 7.75 0.00 -1.76 3.10 1.16 -1.26 -4.73 117.46 121.71 2jtg n PHE 45 Ca 0.49 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.64 2jtg n PHE 45 Cb 0.40 -0.17 -0.03 0.00 -1.61 0.00 0.00 39.48 38.07 2jtg n PHE 45 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2jtg s LYS 46 N 2.01 3.18 0.00 3.97 2.47 -1.26 -4.81 119.74 125.30 2jtg s LYS 46 Ca 0.21 1.77 0.00 0.00 -1.56 0.00 0.00 55.97 56.39 2jtg s LYS 46 Cb -0.13 -4.31 0.00 0.00 -1.46 0.00 0.00 37.83 31.93 2jtg s LYS 46 CO 0.09 -2.05 0.35 -2.30 0.16 0.00 0.00 175.35 171.60 2jtg n PRO 47 N 8.65 0.00 0.00 4.03 -0.02 -1.26 -2.54 135.00 143.85 2jtg n PRO 47 Ca 0.27 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2jtg n PRO 47 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2jtg n PRO 47 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2jtg n THR 48 N -0.85 0.00 0.50 3.45 5.66 -1.26 -3.67 114.28 118.10 2jtg n THR 48 Ca 0.00 1.08 0.05 0.00 -3.05 0.00 0.00 64.05 62.13 2jtg n THR 48 Cb 0.00 -2.06 -0.06 0.00 -1.55 0.00 0.00 70.33 66.67 2jtg n THR 48 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2jtg n LYS 49 N -0.76 3.43 0.12 1.09 2.85 -1.24 -4.49 118.16 119.16 2jtg n LYS 49 Ca 0.00 -0.03 0.06 0.00 -1.05 0.00 0.00 58.31 57.29 2jtg n LYS 49 Cb 0.00 -1.00 0.02 0.00 -0.65 0.00 0.00 35.03 33.39 2jtg n LYS 49 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 2jtg h TYR 50 N 0.06 0.00 -0.00 5.58 0.05 -1.71 -3.43 116.97 117.53 2jtg h TYR 50 Ca 0.00 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.33 2jtg h TYR 50 Cb 0.26 0.00 0.11 0.00 1.01 0.00 0.00 36.73 38.11 2jtg h TYR 50 CO 0.00 0.27 1.16 -1.13 -1.05 0.00 0.00 178.16 177.41 2jtg n SER 51 N -2.95 0.59 -3.61 3.88 3.41 -1.24 -4.54 113.62 109.17 2jtg n SER 51 Ca -0.01 -2.10 -0.05 0.00 -0.26 0.00 0.00 58.87 56.45 2jtg n SER 51 Cb 0.67 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2jtg n SER 51 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jtg s SER 52 N 6.21 -0.14 0.08 4.04 1.04 -1.26 -1.11 113.70 122.56 2jtg s SER 52 Ca 0.55 0.08 0.02 0.00 0.48 0.00 0.00 55.95 57.08 2jtg s SER 52 Cb 0.11 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 2jtg s SER 52 CO 0.27 -0.18 -0.07 -0.63 0.98 0.00 0.00 173.24 173.61 2jtg s ILE 53 N -1.74 0.63 0.24 -1.02 -1.09 0.36 -2.75 121.20 115.82 2jtg s ILE 53 Ca 0.07 -1.63 0.08 0.00 -2.23 0.00 0.00 60.65 56.94 2jtg s ILE 53 Cb -0.01 -1.30 -0.04 0.00 -1.58 0.00 0.00 42.46 39.53 2jtg s ILE 53 CO -0.05 -0.71 0.10 0.00 -1.23 0.00 0.00 174.94 173.06 2jtg h SER 55 N 1.84 0.80 -1.33 0.00 4.64 -1.45 -3.05 113.55 115.01 2jtg h SER 55 Ca -0.47 -0.00 0.39 0.00 -0.47 0.00 0.00 61.79 61.24 2jtg h SER 55 Cb 1.23 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 63.10 2jtg h SER 55 CO 0.60 0.53 1.25 -0.62 -0.87 0.00 0.00 176.83 177.73 2jtg n GLU 56 N -4.47 0.01 -0.05 4.77 1.02 -1.26 0.10 120.64 120.75 2jtg n GLU 56 Ca 0.11 1.01 0.01 0.00 -0.02 0.00 0.00 57.16 58.27 2jtg n GLU 56 Cb 0.18 -2.44 -0.16 0.00 -0.02 0.00 0.00 31.44 29.00 2jtg n GLU 56 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jtg n HIS 57 N -3.41 0.00 -2.55 -0.32 8.25 -1.15 -4.97 115.22 111.06 2jtg n HIS 57 Ca 0.30 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.44 2jtg n HIS 57 Cb 1.65 -0.75 -0.04 0.00 1.12 0.00 0.00 29.99 31.97 2jtg n HIS 57 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2jtg s PHE 58 N -3.01 3.42 0.15 4.41 0.08 0.28 -3.58 117.98 119.73 2jtg s PHE 58 Ca -0.09 1.46 -0.17 0.00 0.12 0.00 0.00 56.93 58.25 2jtg s PHE 58 Cb 0.10 -2.77 -0.07 0.00 -0.57 0.00 0.00 43.02 39.71 2jtg s PHE 58 CO 0.87 -0.27 0.60 0.95 -0.10 0.00 0.00 175.22 177.26 2jtg s THR 59 N -2.48 4.76 0.34 0.64 -4.23 -1.26 -4.96 115.64 108.45 2jtg s THR 59 Ca 0.59 1.04 0.10 0.00 -1.18 0.00 0.00 61.69 62.23 2jtg s THR 59 Cb -0.10 -3.81 0.33 0.00 1.34 0.00 0.00 72.50 70.26 2jtg s THR 59 CO 0.27 0.31 1.79 -0.65 -0.54 0.00 0.00 174.62 175.80 2jtg h PRO 60 N 3.76 0.63 0.00 3.99 0.11 -1.97 0.17 132.00 138.69 2jtg h PRO 60 Ca -0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 2jtg h PRO 60 Cb 1.20 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2jtg h PRO 60 CO 0.65 0.41 -0.02 0.22 -0.21 0.00 0.00 178.00 179.06 2jtg h ASP 61 N 0.65 0.00 0.21 -2.05 3.58 -2.02 -0.05 116.42 116.73 2jtg h ASP 61 Ca 0.56 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.01 2jtg h ASP 61 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2jtg h ASP 61 CO -0.33 0.02 0.00 0.00 -2.88 0.00 0.00 179.24 176.04 2jtg n PHE 63 N -1.12 2.90 0.00 0.00 3.01 -0.03 -4.47 117.46 117.74 2jtg n PHE 63 Ca 0.17 -2.57 0.00 0.00 1.01 0.00 0.00 57.45 56.06 2jtg n PHE 63 Cb 0.14 -1.30 0.00 0.00 -0.01 0.00 0.00 39.48 38.31 2jtg n PHE 63 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2jtg n LYS 64 N -0.54 0.00 -1.72 -1.08 5.02 -1.24 -4.54 118.16 114.06 2jtg n LYS 64 Ca 0.56 0.43 -0.39 0.00 -2.02 0.00 0.00 58.31 56.89 2jtg n LYS 64 Cb 0.46 -0.99 0.04 0.00 -0.02 0.00 0.00 35.03 34.52 2jtg n LYS 64 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jtg n ARG 65 N -0.92 1.63 -1.20 1.97 3.00 -1.26 -4.92 116.66 114.97 2jtg n ARG 65 Ca 0.00 0.60 -0.21 0.00 -0.01 0.00 0.00 57.85 58.23 2jtg n ARG 65 Cb 0.00 -2.50 0.15 0.00 0.00 0.00 0.00 32.46 30.11 2jtg n ARG 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2jtg n GLU 66 N -0.87 2.33 -0.10 5.56 4.71 -1.26 -4.92 120.64 126.09 2jtg n GLU 66 Ca 0.10 -3.20 -0.13 0.00 -0.01 0.00 0.00 57.16 53.92 2jtg n GLU 66 Cb 0.44 -2.11 0.12 0.00 -1.01 0.00 0.00 31.44 28.88 2jtg n GLU 66 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2jtg h ASN 68 N -2.67 -0.14 -1.61 0.00 -1.24 -2.06 -3.43 115.58 104.42 2jtg h ASN 68 Ca -0.16 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.38 2jtg h ASN 68 Cb 0.55 0.04 -0.33 0.00 0.73 0.00 0.00 38.32 39.31 2jtg h ASN 68 CO 0.10 -0.06 -0.93 -3.20 -1.29 0.00 0.00 177.43 172.04 2jtg n ASN 69 N -2.67 -0.77 -3.10 1.15 2.85 -1.26 -5.04 115.26 106.42 2jtg n ASN 69 Ca -0.02 -2.77 0.00 0.00 -0.11 0.00 0.00 54.58 51.68 2jtg n ASN 69 Cb 0.07 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.08 2jtg n ASN 69 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2jtg s LYS 70 N -0.47 0.81 -0.33 1.20 0.00 -1.26 -5.03 119.74 114.66 2jtg s LYS 70 Ca 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 55.97 55.92 2jtg s LYS 70 Cb 0.15 0.07 0.12 0.00 0.00 0.00 0.00 37.83 38.17 2jtg s LYS 70 CO -0.15 -1.14 0.18 -0.51 0.00 0.00 0.00 175.35 173.73 2jtg s LEU 71 N 1.69 0.89 -0.21 2.77 1.43 -1.26 -4.77 118.68 119.22 2jtg s LEU 71 Ca 0.18 -1.86 0.05 0.00 -1.03 0.00 0.00 54.13 51.47 2jtg s LEU 71 Cb -0.03 -0.41 0.18 0.00 0.03 0.00 0.00 46.19 45.97 2jtg s LEU 71 CO -0.07 -0.36 1.03 0.00 0.23 0.00 0.00 176.35 177.18 2jtg n LEU 72 N 4.49 -0.89 0.00 1.79 -0.00 -1.26 -4.89 117.00 116.23 2jtg n LEU 72 Ca 0.05 -2.11 -0.30 0.00 -0.00 0.00 0.00 56.01 53.65 2jtg n LEU 72 Cb 0.39 0.58 0.28 0.00 -0.00 0.00 0.00 43.42 44.67 2jtg n LEU 72 CO 0.11 1.35 0.44 0.29 -0.00 0.00 0.00 177.39 179.57 2jtg n LYS 73 N -0.65 -4.29 -0.41 1.47 4.01 -1.26 -4.57 118.16 112.45 2jtg n LYS 73 Ca -0.12 -1.56 0.40 0.00 -0.51 0.00 0.00 58.31 56.52 2jtg n LYS 73 Cb 0.68 -1.80 0.76 0.00 -0.51 0.00 0.00 35.03 34.17 2jtg n LYS 73 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2jtg h GLU 74 N 0.00 0.00 -0.24 1.97 4.81 -1.99 0.70 114.58 119.83 2jtg h GLU 74 Ca -0.40 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.69 2jtg h GLU 74 Cb 1.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 2jtg h GLU 74 CO 0.25 0.00 -0.39 -0.91 -0.73 0.00 0.00 179.01 177.22 2jtg h ASN 75 N 0.00 0.76 -0.83 1.04 2.35 -1.96 -3.47 115.58 113.47 2jtg h ASN 75 Ca 0.66 -0.53 -0.38 0.00 -0.55 0.00 0.00 56.30 55.50 2jtg h ASN 75 Cb 2.67 -0.22 0.08 0.00 0.05 0.00 0.00 38.32 40.90 2jtg h ASN 75 CO -0.01 1.14 -0.46 0.00 -1.65 0.00 0.00 177.43 176.45 2jtg n ALA 76 N -2.52 -2.24 -3.64 -0.83 0.00 0.24 -5.00 120.51 106.52 2jtg n ALA 76 Ca -0.05 0.14 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 2jtg n ALA 76 Cb 0.53 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 19.01 2jtg n ALA 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jtg s VAL 77 N -0.83 0.00 -0.22 0.00 1.01 -1.26 -4.94 120.40 114.16 2jtg s VAL 77 Ca 0.36 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.35 2jtg s VAL 77 Cb -0.44 -1.00 0.23 0.00 0.00 0.00 0.00 36.38 35.16 2jtg s VAL 77 CO 0.35 0.00 1.65 -0.81 0.00 0.00 0.00 175.10 176.29 2jtg n PRO 78 N 2.17 1.57 0.00 2.72 -0.04 -1.26 -4.10 135.00 136.05 2jtg n PRO 78 Ca -0.12 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 2jtg n PRO 78 Cb 0.56 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 2jtg n PRO 78 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jtg n THR 79 N 0.15 0.00 -0.66 0.52 -2.24 -1.25 -0.07 114.28 110.73 2jtg n THR 79 Ca 0.24 0.00 0.51 0.00 -2.27 0.00 0.00 64.05 62.53 2jtg n THR 79 Cb 0.79 0.00 0.80 0.00 -2.10 0.00 0.00 70.33 69.82 2jtg n THR 79 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jtg h ILE 80 N 0.00 0.02 0.00 2.28 2.04 -1.89 0.74 117.51 120.70 2jtg h ILE 80 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2jtg h ILE 80 Cb 0.00 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 2jtg h ILE 80 CO 0.00 0.00 -0.59 0.49 0.00 0.00 0.00 178.15 178.05 2jtg n PHE 81 N -3.89 0.00 -1.21 1.37 3.01 0.90 -5.04 117.46 112.61 2jtg n PHE 81 Ca 0.43 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.54 2jtg n PHE 81 Cb 1.97 -0.04 0.10 0.00 -0.01 0.00 0.00 39.48 41.49 2jtg n PHE 81 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2jtg n LEU 82 N -1.32 2.76 0.18 4.37 7.94 0.26 -4.69 117.00 126.50 2jtg n LEU 82 Ca 0.01 0.59 -0.14 0.00 -1.11 0.00 0.00 56.01 55.36 2jtg n LEU 82 Cb 0.13 -1.37 -0.08 0.00 0.53 0.00 0.00 43.42 42.63 2jtg n LEU 82 CO 0.15 -2.35 0.61 -0.33 -1.11 0.00 0.00 177.39 174.35 2jtg h GLU 83 N -0.59 -0.42 -2.99 1.96 4.39 -1.95 -3.48 114.58 111.49 2jtg h GLU 83 Ca -0.46 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.33 2jtg h GLU 83 Cb 1.32 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 30.01 2jtg h GLU 83 CO 0.44 -0.14 0.23 -1.17 -1.16 0.00 0.00 179.01 177.21 2jtg s LEU 84 N -9.68 -0.27 -0.52 1.33 2.96 -1.26 -5.13 118.68 106.11 2jtg s LEU 84 Ca -0.15 -0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 53.18 2jtg s LEU 84 Cb 0.03 2.72 0.14 0.00 0.50 0.00 0.00 46.19 49.57 2jtg s LEU 84 CO 0.58 -1.33 0.30 -0.69 -1.32 0.00 0.00 176.35 173.89 2jtg s VAL 85 N -3.90 3.18 -0.09 1.68 1.01 -1.26 -5.07 120.40 115.95 2jtg s VAL 85 Ca 0.11 -2.79 -0.30 0.00 0.00 0.00 0.00 61.98 59.00 2jtg s VAL 85 Cb -0.06 -3.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 2jtg s VAL 85 CO 0.06 -0.79 2.06 -2.65 0.00 0.00 0.00 175.10 173.79 2jtg n PRO 86 N 3.72 2.37 0.00 2.72 -0.02 -1.26 -5.31 135.00 137.21 2jtg n PRO 86 Ca 0.05 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2jtg n PRO 86 Cb 0.38 -3.02 0.00 0.00 -0.02 0.00 0.00 33.50 30.84 2jtg n PRO 86 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02