#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 1.80 -3.64 1.12 0.24 -1.26 -4.98 118.33 111.61 2jtg n VAL 2 Ca 0.00 -1.84 -0.08 0.00 -2.04 0.00 0.00 64.34 60.38 2jtg n VAL 2 Cb 0.00 -0.06 -0.07 0.00 -1.47 0.00 0.00 33.84 32.24 2jtg n VAL 2 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2jtg s GLN 3 N -2.41 0.55 0.41 7.34 2.00 -1.26 -4.69 119.66 121.60 2jtg s GLN 3 Ca 0.30 0.74 0.06 0.00 -2.00 0.00 0.00 55.36 54.46 2jtg s GLN 3 Cb 0.24 0.22 0.01 0.00 0.80 0.00 0.00 33.01 34.28 2jtg s GLN 3 CO 0.06 -0.08 0.57 -1.54 -0.50 0.00 0.00 175.29 173.79 2jtg s SER 4 N 0.64 5.73 0.24 6.67 1.04 -1.26 -4.49 113.70 122.27 2jtg s SER 4 Ca -0.01 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.15 2jtg s SER 4 Cb -0.05 -0.94 -0.03 0.00 0.10 0.00 0.00 66.02 65.11 2jtg s SER 4 CO -0.08 -0.69 0.25 0.00 0.98 0.00 0.00 173.24 173.70 2jtg h SER 6 N 2.44 0.75 -0.97 0.00 0.87 -1.56 -3.46 113.55 111.61 2jtg h SER 6 Ca -0.32 -0.73 -0.70 0.00 -1.23 0.00 0.00 61.79 58.82 2jtg h SER 6 Cb 1.25 -0.23 0.08 0.00 -0.44 0.00 0.00 62.40 63.06 2jtg h SER 6 CO 0.46 1.37 -0.29 0.00 -0.53 0.00 0.00 176.83 177.84 2jtg n ALA 7 N -2.61 -3.12 -2.04 6.23 0.00 -1.26 -4.81 120.51 112.90 2jtg n ALA 7 Ca -0.10 0.49 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 2jtg n ALA 7 Cb 0.76 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 2jtg n ALA 7 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2jtg s TYR 8 N -0.59 2.91 -1.50 0.00 5.04 -1.25 -3.19 117.35 118.76 2jtg s TYR 8 Ca 0.72 0.66 -0.05 0.00 -2.44 0.00 0.00 57.07 55.97 2jtg s TYR 8 Cb -1.03 -3.83 0.04 0.00 0.35 0.00 0.00 41.96 37.49 2jtg s TYR 8 CO 0.55 -3.11 0.44 0.41 -1.34 0.00 0.00 175.55 172.50 2jtg n GLY 9 N 3.73 -0.26 3.78 8.97 0.00 -1.26 -4.92 105.19 115.23 2jtg n GLY 9 Ca 0.14 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 2jtg n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtg n LYS 11 N -3.43 1.73 -0.96 0.00 3.00 -1.26 -5.05 118.16 112.19 2jtg n LYS 11 Ca 0.09 -3.15 -0.29 0.00 -0.00 0.00 0.00 58.31 54.95 2jtg n LYS 11 Cb 0.53 -1.69 0.19 0.00 0.00 0.00 0.00 35.03 34.06 2jtg n LYS 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jtg s ASN 12 N -2.86 2.40 -0.30 3.14 2.20 -1.26 -5.01 114.94 113.24 2jtg s ASN 12 Ca 0.40 1.45 -0.14 0.00 -0.94 0.00 0.00 52.86 53.63 2jtg s ASN 12 Cb 0.37 -2.13 0.18 0.00 -2.00 0.00 0.00 41.25 37.66 2jtg s ASN 12 CO -0.02 -3.31 1.04 0.00 -2.94 0.00 0.00 177.10 171.86 2jtg s ARG 13 N -4.78 0.22 -1.10 3.55 1.70 -1.26 -4.50 118.95 112.77 2jtg s ARG 13 Ca 0.66 0.46 -0.22 0.00 -0.47 0.00 0.00 55.73 56.16 2jtg s ARG 13 Cb -0.21 0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 34.42 2jtg s ARG 13 CO 0.59 -0.17 1.81 -0.47 -1.08 0.00 0.00 175.30 175.98 2jtg s TYR 14 N 2.69 2.19 0.17 5.89 6.14 -1.26 -4.69 117.35 128.48 2jtg s TYR 14 Ca -0.00 -0.17 0.08 0.00 0.64 0.00 0.00 57.07 57.61 2jtg s TYR 14 Cb -0.08 -4.30 -0.04 0.00 0.42 0.00 0.00 41.96 37.96 2jtg s TYR 14 CO -0.14 -1.62 -0.03 0.34 0.64 0.00 0.00 175.55 174.74 2jtg s ASP 15 N 6.16 4.63 0.54 4.32 2.15 -1.25 -4.71 116.67 128.51 2jtg s ASP 15 Ca 0.62 -0.44 0.22 0.00 0.43 0.00 0.00 52.55 53.38 2jtg s ASP 15 Cb -0.01 -0.94 1.45 0.00 -0.30 0.00 0.00 42.92 43.12 2jtg s ASP 15 CO 0.04 0.10 2.16 0.07 -0.17 0.00 0.00 175.17 177.37 2jtg h LYS 16 N 2.82 0.00 0.00 4.34 2.10 -2.02 -3.02 116.57 120.79 2jtg h LYS 16 Ca -0.47 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.14 2jtg h LYS 16 Cb 1.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2jtg h LYS 16 CO 0.57 0.03 -0.36 -0.44 -2.00 0.00 0.00 179.45 177.25 2jtg h ASP 17 N 0.00 0.00 -2.94 7.07 3.32 -1.96 -3.44 116.42 118.47 2jtg h ASP 17 Ca -0.00 -0.32 -0.57 0.00 0.02 0.00 0.00 57.03 56.16 2jtg h ASP 17 Cb 0.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 2jtg h ASP 17 CO 0.00 0.86 1.18 -0.75 -1.72 0.00 0.00 179.24 178.82 2jtg s LYS 18 N -2.03 3.43 0.00 3.56 2.47 -1.14 -4.87 119.74 121.16 2jtg s LYS 18 Ca -0.13 1.15 0.00 0.00 -1.56 0.00 0.00 55.97 55.43 2jtg s LYS 18 Cb 0.01 -4.12 0.00 0.00 -1.46 0.00 0.00 37.83 32.26 2jtg s LYS 18 CO 0.32 -1.75 0.95 -0.35 0.16 0.00 0.00 175.35 174.68 2jtg n PRO 19 N 8.29 0.77 -2.35 4.03 -0.04 -1.26 -3.77 135.00 140.68 2jtg n PRO 19 Ca 0.20 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.28 2jtg n PRO 19 Cb 0.47 -1.11 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.28 3.67 0.73 0.52 0.11 -1.26 -4.99 120.40 119.46 2jtg s VAL 20 Ca 0.00 -0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 58.70 2jtg s VAL 20 Cb 0.00 -4.60 0.03 0.00 -1.53 0.00 0.00 36.38 30.28 2jtg s VAL 20 CO 0.00 -1.52 1.09 -0.94 -3.33 0.00 0.00 175.10 170.40 2jtg s SER 21 N 5.91 5.14 0.09 3.54 1.04 -1.26 -4.62 113.70 123.54 2jtg s SER 21 Ca 0.53 1.27 0.08 0.00 0.48 0.00 0.00 55.95 58.30 2jtg s SER 21 Cb -0.06 -2.07 -0.03 0.00 0.10 0.00 0.00 66.02 63.97 2jtg s SER 21 CO 0.03 -1.55 -0.21 -0.36 0.98 0.00 0.00 173.24 172.13 2jtg s PHE 22 N -3.24 1.79 0.09 5.02 0.40 -1.26 -1.50 117.98 119.28 2jtg s PHE 22 Ca 0.59 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 56.55 2jtg s PHE 22 Cb -0.13 -1.00 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 2jtg s PHE 22 CO 0.53 0.17 -0.11 -1.01 0.70 0.00 0.00 175.22 175.51 2jtg s HIS 23 N -1.06 1.08 0.20 0.36 3.76 0.15 -4.98 115.29 114.80 2jtg s HIS 23 Ca 0.07 -0.63 0.04 0.00 -0.15 0.00 0.00 55.06 54.39 2jtg s HIS 23 Cb -0.10 -0.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 2jtg s HIS 23 CO 0.04 0.01 0.30 0.21 -0.85 0.00 0.00 174.74 174.45 2jtg s LYS 24 N -2.65 3.36 0.12 1.40 2.47 -1.26 0.13 119.74 123.31 2jtg s LYS 24 Ca 0.04 -0.73 -0.31 0.00 -1.56 0.00 0.00 55.97 53.42 2jtg s LYS 24 Cb -0.04 -2.88 -0.10 0.00 -1.46 0.00 0.00 37.83 33.35 2jtg s LYS 24 CO 0.00 0.47 1.83 -0.06 0.16 0.00 0.00 175.35 177.75 2jtg s PHE 25 N -1.88 2.13 0.47 4.03 0.40 -0.49 -4.77 117.98 117.86 2jtg s PHE 25 Ca 0.34 -0.03 -0.04 0.00 -0.60 0.00 0.00 56.93 56.60 2jtg s PHE 25 Cb -0.10 -4.18 -0.03 0.00 0.51 0.00 0.00 43.02 39.22 2jtg s PHE 25 CO 0.28 -4.88 0.75 -1.25 0.70 0.00 0.00 175.22 170.82 2jtg s PRO 26 N 2.76 3.43 -0.08 0.24 0.04 -1.26 -4.97 135.00 135.15 2jtg s PRO 26 Ca 0.81 0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.97 2jtg s PRO 26 Cb -0.46 -2.42 -0.12 0.00 0.04 0.00 0.00 34.50 31.54 2jtg s PRO 26 CO 0.36 -0.21 0.06 1.47 0.04 0.00 0.00 177.00 178.73 2jtg n LEU 27 N -2.21 0.00 0.23 -3.56 -0.00 -1.26 -4.51 117.00 105.70 2jtg n LEU 27 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.08 2jtg n LEU 27 Cb 0.56 0.19 0.55 0.00 -0.00 0.00 0.00 43.42 44.72 2jtg n LEU 27 CO 0.52 0.19 0.92 0.74 -0.00 0.00 0.00 177.39 179.76 2jtg h THR 28 N 0.00 1.02 -3.50 1.47 2.02 -1.99 -3.34 112.91 108.60 2jtg h THR 28 Ca -0.21 -0.61 -0.73 0.00 0.77 0.00 0.00 66.41 65.63 2jtg h THR 28 Cb 1.39 1.34 -0.31 0.00 -1.74 0.00 0.00 68.15 68.83 2jtg h THR 28 CO 0.01 0.17 -0.27 -0.60 0.37 0.00 0.00 175.52 175.20 2jtg s ARG 29 N -4.56 2.76 0.00 6.66 3.00 -1.26 -4.96 118.95 120.59 2jtg s ARG 29 Ca -0.04 -2.17 0.00 0.00 -1.00 0.00 0.00 55.73 52.52 2jtg s ARG 29 Cb 0.15 -3.98 0.00 0.00 0.00 0.00 0.00 34.95 31.12 2jtg s ARG 29 CO 0.67 -1.21 0.00 -0.35 0.00 0.00 0.00 175.30 174.41 2jtg n PRO 30 N 4.24 0.00 -0.07 5.12 -0.04 -1.26 -3.18 135.00 139.82 2jtg n PRO 30 Ca 0.02 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.55 2jtg n PRO 30 Cb 0.41 -0.60 -0.01 0.00 -0.04 0.00 0.00 33.50 33.26 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 -0.49 -0.55 3.54 4.64 -1.95 0.56 113.55 119.30 2jtg h SER 31 Ca 0.00 0.11 0.05 0.00 -0.47 0.00 0.00 61.79 61.48 2jtg h SER 31 Cb 0.00 0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 2jtg h SER 31 CO 0.00 -0.18 0.36 0.25 -0.87 0.00 0.00 176.83 176.39 2jtg h LEU 32 N -0.11 0.48 -1.82 5.97 5.85 -1.98 -0.55 115.31 123.15 2jtg h LEU 32 Ca 0.15 -0.00 0.20 0.00 0.84 0.00 0.00 57.88 59.07 2jtg h LEU 32 Cb 0.33 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2jtg h LEU 32 CO -0.35 0.32 0.54 0.00 -0.34 0.00 0.00 178.44 178.62 2jtg h LYS 34 N 0.16 0.57 -0.98 0.00 3.64 -0.62 0.81 116.57 120.14 2jtg h LYS 34 Ca 0.38 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.79 2jtg h LYS 34 Cb 1.26 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 2jtg h LYS 34 CO -0.06 0.38 0.63 0.93 -2.27 0.00 0.00 179.45 179.05 2jtg h GLU 35 N 0.59 1.11 -0.42 1.90 5.08 -0.35 0.11 114.58 122.60 2jtg h GLU 35 Ca 0.50 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.83 2jtg h GLU 35 Cb 0.98 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2jtg h GLU 35 CO -0.24 0.73 0.28 -1.49 -1.00 0.00 0.00 179.01 177.30 2jtg h TRP 36 N 1.14 0.40 -1.01 4.33 4.06 0.58 0.18 115.95 125.64 2jtg h TRP 36 Ca 0.42 0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.51 2jtg h TRP 36 Cb 0.17 -0.13 -0.09 0.00 -1.00 0.00 0.00 29.16 28.11 2jtg h TRP 36 CO -0.01 0.23 0.63 0.93 -3.56 0.00 0.00 178.44 176.67 2jtg h GLU 37 N 0.42 0.97 -0.50 0.49 5.08 -0.44 0.48 114.58 121.06 2jtg h GLU 37 Ca 0.17 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2jtg h GLU 37 Cb 0.18 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2jtg h GLU 37 CO -0.04 0.64 0.18 0.00 -1.00 0.00 0.00 179.01 178.78 2jtg h ALA 38 N 1.54 1.37 -0.39 3.43 0.00 -0.61 -0.23 119.26 124.38 2jtg h ALA 38 Ca 0.50 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.37 2jtg h ALA 38 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jtg h ALA 38 CO -0.27 0.46 0.38 0.00 0.00 0.00 0.00 179.25 179.83 2jtg h ALA 39 N 1.48 2.12 0.00 0.00 0.00 0.27 -3.06 119.26 120.07 2jtg h ALA 39 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jtg h ALA 39 Cb 0.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jtg h ALA 39 CO -0.01 -0.58 -0.62 0.28 0.00 0.00 0.00 179.25 178.32 2jtg n VAL 40 N -3.85 1.20 -1.19 0.00 0.31 -0.23 -4.19 118.33 110.38 2jtg n VAL 40 Ca 0.07 0.24 -0.06 0.00 -0.01 0.00 0.00 64.34 64.57 2jtg n VAL 40 Cb 0.56 -2.22 -0.03 0.00 -0.91 0.00 0.00 33.84 31.24 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 -4.15 -1.22 -2.45 5.55 3.00 -0.43 -3.94 116.66 113.02 2jtg n ARG 41 Ca -0.09 0.64 -0.24 0.00 -0.00 0.00 0.00 57.85 58.17 2jtg n ARG 41 Cb 0.32 -4.72 0.05 0.00 0.00 0.00 0.00 32.46 28.11 2jtg n ARG 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2jtg s ARG 42 N -2.21 2.44 0.00 -0.14 3.52 -1.26 -5.01 118.95 116.29 2jtg s ARG 42 Ca 0.00 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.11 2jtg s ARG 42 Cb 0.00 -2.34 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 2jtg s ARG 42 CO 0.00 -0.92 1.00 1.63 -0.81 0.00 0.00 175.30 176.20 2jtg n LYS 43 N -2.60 0.00 -3.23 5.12 5.02 -1.26 -4.32 118.16 116.89 2jtg n LYS 43 Ca 0.07 0.87 -0.23 0.00 -2.02 0.00 0.00 58.31 57.00 2jtg n LYS 43 Cb 0.60 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.04 2jtg n LYS 43 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jtg n ASN 44 N -2.73 -0.67 -2.89 4.39 3.02 -1.26 -5.06 115.26 110.06 2jtg n ASN 44 Ca 0.00 -2.58 -0.03 0.00 -0.03 0.00 0.00 54.58 51.94 2jtg n ASN 44 Cb 0.00 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 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 2.30 0.00 -1.54 3.10 -1.74 -1.26 -4.72 117.46 113.59 2jtg n PHE 45 Ca 0.25 0.00 -0.38 0.00 -0.56 0.00 0.00 57.45 56.76 2jtg n PHE 45 Cb 0.51 -0.35 -0.05 0.00 1.52 0.00 0.00 39.48 41.11 2jtg n PHE 45 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 2jtg n LYS 46 N 3.30 0.94 0.00 3.97 3.00 -1.26 -4.79 118.16 123.32 2jtg n LYS 46 Ca 0.09 0.04 0.04 0.00 -0.00 0.00 0.00 58.31 58.47 2jtg n LYS 46 Cb 0.31 -3.10 0.22 0.00 0.00 0.00 0.00 35.03 32.45 2jtg n LYS 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2jtg n PRO 47 N 8.88 0.22 0.32 1.64 -0.02 -1.26 -2.11 135.00 142.67 2jtg n PRO 47 Ca 0.41 0.02 -0.17 0.00 -2.02 0.00 0.00 63.50 61.74 2jtg n PRO 47 Cb 0.45 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.34 2jtg n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jtg h THR 48 N 0.00 0.43 0.00 3.45 1.03 -1.96 -3.34 112.91 112.52 2jtg h THR 48 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2jtg h THR 48 Cb 0.00 0.43 0.00 0.00 -1.07 0.00 0.00 68.15 67.51 2jtg h THR 48 CO 0.00 0.00 -0.43 0.29 -0.01 0.00 0.00 175.52 175.37 2jtg n LYS 49 N -5.43 2.97 0.18 0.00 5.02 -1.23 -4.77 118.16 114.91 2jtg n LYS 49 Ca -0.13 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.24 2jtg n LYS 49 Cb 0.32 -0.72 0.12 0.00 -0.02 0.00 0.00 35.03 34.74 2jtg n LYS 49 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2jtg h TYR 50 N 0.00 0.00 -0.08 2.13 0.05 -1.65 -3.43 116.97 113.99 2jtg h TYR 50 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 2jtg h TYR 50 Cb 0.11 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 2jtg h TYR 50 CO 0.00 0.24 0.60 0.43 -1.05 0.00 0.00 178.16 178.38 2jtg n SER 51 N -3.17 -0.14 -3.61 3.88 7.64 -1.20 -4.25 113.62 112.78 2jtg n SER 51 Ca 0.03 -1.74 -0.05 0.00 1.01 0.00 0.00 58.87 58.12 2jtg n SER 51 Cb 0.62 -1.18 -0.03 0.00 -1.01 0.00 0.00 64.21 62.61 2jtg n SER 51 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jtg s SER 52 N 4.79 -0.14 0.09 6.43 1.04 -1.26 -1.40 113.70 123.25 2jtg s SER 52 Ca 0.60 0.08 0.03 0.00 0.48 0.00 0.00 55.95 57.13 2jtg s SER 52 Cb -0.14 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 2jtg s SER 52 CO 0.15 -0.18 -0.08 -0.63 0.98 0.00 0.00 173.24 173.48 2jtg s ILE 53 N -1.75 0.77 0.20 -1.02 -1.09 0.34 -1.91 121.20 116.74 2jtg s ILE 53 Ca 0.08 -1.62 0.07 0.00 -2.23 0.00 0.00 60.65 56.95 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 -0.63 0.07 0.00 -1.23 0.00 0.00 174.94 173.10 2jtg h SER 55 N 2.24 0.59 -1.21 0.00 4.64 -1.59 -2.90 113.55 115.32 2jtg h SER 55 Ca -0.47 0.02 0.35 0.00 -0.47 0.00 0.00 61.79 61.22 2jtg h SER 55 Cb 1.22 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 63.16 2jtg h SER 55 CO 0.60 0.35 1.18 -0.33 -0.87 0.00 0.00 176.83 177.75 2jtg h GLU 56 N 0.65 0.00 0.00 4.77 5.08 -1.96 0.86 114.58 123.99 2jtg h GLU 56 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2jtg h GLU 56 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jtg h GLU 56 CO -0.13 0.00 -1.36 0.72 -1.00 0.00 0.00 179.01 177.24 2jtg n HIS 57 N -3.50 0.00 -3.09 4.33 8.25 -1.09 -4.97 115.22 115.14 2jtg n HIS 57 Ca 0.27 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.46 2jtg n HIS 57 Cb 1.55 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 32.44 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 -3.08 3.50 0.15 4.41 0.08 0.30 -3.40 117.98 119.94 2jtg s PHE 58 Ca 0.01 0.68 -0.19 0.00 0.12 0.00 0.00 56.93 57.55 2jtg s PHE 58 Cb 0.14 -2.15 -0.07 0.00 -0.57 0.00 0.00 43.02 40.36 2jtg s PHE 58 CO 0.81 0.00 0.63 0.95 -0.10 0.00 0.00 175.22 177.52 2jtg s THR 59 N -2.35 4.68 0.29 0.64 -4.23 -1.26 -4.97 115.64 108.44 2jtg s THR 59 Ca 0.45 1.18 0.04 0.00 -1.18 0.00 0.00 61.69 62.18 2jtg s THR 59 Cb -0.10 -3.87 0.29 0.00 1.34 0.00 0.00 72.50 70.16 2jtg s THR 59 CO 0.35 0.36 1.80 -0.65 -0.54 0.00 0.00 174.62 175.94 2jtg h PRO 60 N 3.89 0.85 -0.13 3.99 0.11 -1.98 -0.24 132.00 138.49 2jtg h PRO 60 Ca -0.49 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.61 2jtg h PRO 60 Cb 1.20 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2jtg h PRO 60 CO 0.65 0.56 0.10 0.22 -0.21 0.00 0.00 178.00 179.32 2jtg h ASP 61 N 0.88 0.00 0.01 -2.05 3.58 -2.03 0.13 116.42 116.94 2jtg h ASP 61 Ca 0.54 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.99 2jtg h ASP 61 Cb 0.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2jtg h ASP 61 CO -0.33 0.00 -0.00 0.00 -2.88 0.00 0.00 179.24 176.03 2jtg n PHE 63 N -0.93 3.11 -3.07 0.00 3.01 0.45 -4.59 117.46 115.46 2jtg n PHE 63 Ca 0.23 -2.74 -0.28 0.00 1.01 0.00 0.00 57.45 55.68 2jtg n PHE 63 Cb 0.13 -1.12 -0.05 0.00 -0.01 0.00 0.00 39.48 38.43 2jtg n PHE 63 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2jtg n LYS 64 N -0.76 3.17 -2.73 -1.08 -0.00 -1.25 -5.04 118.16 110.48 2jtg n LYS 64 Ca 0.56 -4.80 -0.08 0.00 -0.00 0.00 0.00 58.31 53.99 2jtg n LYS 64 Cb 0.60 -2.26 -0.02 0.00 -0.00 0.00 0.00 35.03 33.34 2jtg n LYS 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jtg n ARG 65 N 0.10 0.81 -1.20 -1.58 5.12 -1.26 -5.08 116.66 113.56 2jtg n ARG 65 Ca 0.31 -1.05 -0.04 0.00 -1.93 0.00 0.00 57.85 55.14 2jtg n ARG 65 Cb 0.39 0.58 -0.02 0.00 -1.16 0.00 0.00 32.46 32.25 2jtg n ARG 65 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2jtg n GLU 66 N -0.28 0.22 -2.13 5.56 0.00 -1.26 -5.07 120.64 117.69 2jtg n GLU 66 Ca -0.02 -0.76 -0.28 0.00 0.00 0.00 0.00 57.16 56.10 2jtg n GLU 66 Cb 0.19 0.46 0.16 0.00 0.00 0.00 0.00 31.44 32.24 2jtg n GLU 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jtg h ASN 68 N -1.30 0.28 0.00 0.00 -1.24 -2.08 -3.41 115.58 107.82 2jtg h ASN 68 Ca -0.42 -0.57 0.00 0.00 0.71 0.00 0.00 56.30 56.02 2jtg h ASN 68 Cb 1.25 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 40.22 2jtg h ASN 68 CO 0.39 0.80 0.00 -0.46 -1.29 0.00 0.00 177.43 176.87 2jtg n ASN 69 N -4.58 0.00 -0.10 1.15 6.94 -1.26 -5.06 115.26 112.35 2jtg n ASN 69 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 2jtg n ASN 69 Cb 0.39 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 2jtg n ASN 69 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2jtg n LYS 70 N 0.00 0.00 -3.44 -3.83 5.02 -1.26 -5.11 118.16 109.54 2jtg n LYS 70 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 2jtg n LYS 70 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 2jtg n LYS 70 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jtg s LEU 71 N 0.00 6.19 -0.37 -0.35 1.43 -1.26 -4.69 118.68 119.63 2jtg s LEU 71 Ca 0.00 -2.47 0.04 0.00 -1.03 0.00 0.00 54.13 50.68 2jtg s LEU 71 Cb 0.00 -2.11 0.32 0.00 0.03 0.00 0.00 46.19 44.44 2jtg s LEU 71 CO 0.00 -0.59 1.30 0.00 0.23 0.00 0.00 176.35 177.29 2jtg n LEU 72 N 4.21 -1.60 0.00 1.79 -0.00 -1.26 -4.91 117.00 115.23 2jtg n LEU 72 Ca 0.05 -2.43 -0.11 0.00 -0.00 0.00 0.00 56.01 53.52 2jtg n LEU 72 Cb 0.43 0.95 0.07 0.00 -0.00 0.00 0.00 43.42 44.87 2jtg n LEU 72 CO 0.38 1.75 0.30 1.17 -0.00 0.00 0.00 177.39 180.99 2jtg n LYS 73 N 0.53 -0.05 -0.55 1.47 3.00 -1.26 -4.74 118.16 116.56 2jtg n LYS 73 Ca -0.02 -1.09 0.44 0.00 -0.00 0.00 0.00 58.31 57.65 2jtg n LYS 73 Cb 0.74 -0.42 0.75 0.00 0.00 0.00 0.00 35.03 36.09 2jtg n LYS 73 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2jtg h GLU 74 N 0.00 0.03 -0.11 1.64 4.57 -2.01 1.16 114.58 119.86 2jtg h GLU 74 Ca -0.16 -0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.86 2jtg h GLU 74 Cb 0.53 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.12 2jtg h GLU 74 CO 0.15 0.02 -0.52 -0.91 -1.18 0.00 0.00 179.01 176.57 2jtg h ASN 75 N 0.03 0.66 -0.73 1.04 2.35 -1.98 -3.46 115.58 113.49 2jtg h ASN 75 Ca 0.84 -0.64 -0.47 0.00 -0.55 0.00 0.00 56.30 55.48 2jtg h ASN 75 Cb 3.08 -0.19 0.08 0.00 0.05 0.00 0.00 38.32 41.33 2jtg h ASN 75 CO -0.17 1.19 -0.39 0.00 -1.65 0.00 0.00 177.43 176.41 2jtg n ALA 76 N -2.55 -2.34 -3.64 -0.83 0.00 0.40 -5.00 120.51 106.55 2jtg n ALA 76 Ca -0.08 0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.60 2jtg n ALA 76 Cb 0.61 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.73 0.00 -0.14 0.00 1.01 -1.26 -4.89 120.40 114.39 2jtg s VAL 77 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2jtg s VAL 77 Cb -0.65 -1.00 0.15 0.00 0.00 0.00 0.00 36.38 34.88 2jtg s VAL 77 CO 0.40 0.00 1.58 -0.81 0.00 0.00 0.00 175.10 176.27 2jtg n PRO 78 N 1.88 1.37 0.00 2.72 -0.04 -1.26 -4.05 135.00 135.61 2jtg n PRO 78 Ca -0.11 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 2jtg n PRO 78 Cb 0.56 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.44 0.00 -0.33 0.52 -2.24 -1.22 -0.03 114.28 111.41 2jtg n THR 79 Ca 0.16 0.00 0.31 0.00 -2.27 0.00 0.00 64.05 62.25 2jtg n THR 79 Cb 0.69 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.49 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 0.05 -0.53 2.28 2.04 -1.77 1.22 117.51 120.80 2jtg h ILE 80 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2jtg h ILE 80 Cb 0.00 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 2jtg h ILE 80 CO 0.00 0.01 0.00 0.49 0.00 0.00 0.00 178.15 178.65 2jtg n PHE 81 N -5.18 1.04 -2.45 1.37 3.01 0.96 -4.82 117.46 111.39 2jtg n PHE 81 Ca 0.37 -0.60 -0.23 0.00 1.01 0.00 0.00 57.45 58.00 2jtg n PHE 81 Cb 1.26 -0.15 0.05 0.00 -0.01 0.00 0.00 39.48 40.63 2jtg n PHE 81 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 2jtg s LEU 82 N -1.59 3.06 0.55 4.37 2.96 0.42 -4.57 118.68 123.88 2jtg s LEU 82 Ca 0.42 0.17 0.34 0.00 -0.22 0.00 0.00 54.13 54.84 2jtg s LEU 82 Cb 0.26 -2.93 1.51 0.00 0.50 0.00 0.00 46.19 45.53 2jtg s LEU 82 CO 0.22 -1.37 1.83 -0.08 -1.32 0.00 0.00 176.35 175.62 2jtg h GLU 83 N -0.24 0.00 -6.71 1.98 4.22 -1.94 -3.39 114.58 108.49 2jtg h GLU 83 Ca -0.43 0.00 -0.67 0.00 0.08 0.00 0.00 59.36 58.34 2jtg h GLU 83 Cb 1.30 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.37 2jtg h GLU 83 CO 0.55 0.00 -0.81 -0.48 -2.18 0.00 0.00 179.01 176.09 2jtg s LEU 84 N -8.29 2.63 -0.09 1.64 -0.00 -1.26 -5.14 118.68 108.17 2jtg s LEU 84 Ca -0.05 -0.63 -0.14 0.00 -0.00 0.00 0.00 54.13 53.31 2jtg s LEU 84 Cb 0.22 -1.46 0.03 0.00 -0.00 0.00 0.00 46.19 44.98 2jtg s LEU 84 CO 0.77 0.16 0.35 -0.69 -0.00 0.00 0.00 176.35 176.94 2jtg s VAL 85 N -1.25 0.02 0.00 1.48 1.01 -1.26 -4.43 120.40 115.97 2jtg s VAL 85 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2jtg s VAL 85 Cb -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.72 2jtg s VAL 85 CO 0.10 -0.10 0.00 -2.65 0.00 0.00 0.00 175.10 172.45 2jtg n PRO 86 N 2.23 0.64 0.00 2.72 -0.02 -1.26 -5.09 135.00 134.22 2jtg n PRO 86 Ca -0.16 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.44 2jtg n PRO 86 Cb 0.57 0.00 0.13 0.00 -0.02 0.00 0.00 33.50 34.18 2jtg n PRO 86 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37