#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 1.83 -3.65 3.17 0.31 -1.26 -4.87 118.33 113.85 2jtg n VAL 2 Ca 0.00 -1.84 -0.02 0.00 -0.01 0.00 0.00 64.34 62.47 2jtg n VAL 2 Cb 0.00 -0.08 -0.07 0.00 -0.91 0.00 0.00 33.84 32.79 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 -2.43 0.03 0.59 5.55 2.00 -1.26 -4.67 119.66 119.46 2jtg s GLN 3 Ca 0.31 0.04 -0.01 0.00 -2.00 0.00 0.00 55.36 53.69 2jtg s GLN 3 Cb 0.25 0.01 0.04 0.00 0.80 0.00 0.00 33.01 34.11 2jtg s GLN 3 CO 0.06 -0.00 0.84 -1.54 -0.50 0.00 0.00 175.29 174.14 2jtg s SER 4 N 0.17 5.22 0.28 6.67 1.04 -1.26 -4.48 113.70 121.34 2jtg s SER 4 Ca 0.05 0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.69 2jtg s SER 4 Cb -0.05 -1.05 -0.05 0.00 0.10 0.00 0.00 66.02 64.98 2jtg s SER 4 CO -0.15 -1.22 0.12 0.00 0.98 0.00 0.00 173.24 172.96 2jtg h SER 6 N 2.30 0.42 -0.54 0.00 0.87 -1.61 -3.44 113.55 111.56 2jtg h SER 6 Ca -0.37 -0.52 -0.76 0.00 -1.23 0.00 0.00 61.79 58.91 2jtg h SER 6 Cb 1.25 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 2jtg h SER 6 CO 0.58 0.87 1.22 0.00 -0.53 0.00 0.00 176.83 178.97 2jtg n ALA 7 N -2.45 0.19 -1.66 6.23 0.00 -1.26 -4.80 120.51 116.76 2jtg n ALA 7 Ca -0.06 0.19 -0.46 0.00 0.00 0.00 0.00 53.44 53.10 2jtg n ALA 7 Cb 0.41 -2.19 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 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 7.43 2.16 -3.71 0.00 9.36 -1.26 -2.24 117.16 128.89 2jtg n TYR 8 Ca 0.46 0.35 -0.22 0.00 3.32 0.00 0.00 57.90 61.81 2jtg n TYR 8 Cb 0.04 -2.50 0.03 0.00 -0.63 0.00 0.00 39.34 36.28 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 3.07 -0.30 3.88 2.98 0.00 -1.26 -4.97 105.19 108.59 2jtg n GLY 9 Ca 0.16 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.35 3.57 -0.56 0.00 3.00 -1.26 -5.03 118.16 115.52 2jtg n LYS 11 Ca 0.03 -2.91 -0.30 0.00 -0.00 0.00 0.00 58.31 55.14 2jtg n LYS 11 Cb 0.54 -1.95 0.22 0.00 0.00 0.00 0.00 35.03 33.85 2jtg n LYS 11 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2jtg n ASN 12 N -0.03 -1.85 -3.29 3.14 6.94 -1.26 -4.97 115.26 113.94 2jtg n ASN 12 Ca 0.23 -0.10 0.03 0.00 -0.02 0.00 0.00 54.58 54.73 2jtg n ASN 12 Cb 0.96 -1.17 -0.03 0.00 -2.36 0.00 0.00 39.78 37.18 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 -4.07 0.25 -1.26 -3.83 1.70 -1.26 -4.42 118.95 106.06 2jtg s ARG 13 Ca 0.64 0.56 -0.19 0.00 -0.47 0.00 0.00 55.73 56.28 2jtg s ARG 13 Cb -0.21 0.33 0.07 0.00 -0.57 0.00 0.00 34.95 34.57 2jtg s ARG 13 CO 0.65 -0.15 1.70 -0.47 -1.08 0.00 0.00 175.30 175.95 2jtg s TYR 14 N 2.58 2.77 0.17 5.89 6.14 -1.26 -4.66 117.35 128.98 2jtg s TYR 14 Ca -0.00 -1.55 0.09 0.00 0.64 0.00 0.00 57.07 56.25 2jtg s TYR 14 Cb -0.07 -4.74 -0.04 0.00 0.42 0.00 0.00 41.96 37.52 2jtg s TYR 14 CO -0.16 -1.81 -0.14 0.34 0.64 0.00 0.00 175.55 174.42 2jtg s ASP 15 N 4.28 4.02 0.50 4.32 2.15 -1.26 -4.41 116.67 126.28 2jtg s ASP 15 Ca 0.53 -0.63 0.22 0.00 0.43 0.00 0.00 52.55 53.10 2jtg s ASP 15 Cb 0.03 -0.60 1.32 0.00 -0.30 0.00 0.00 42.92 43.38 2jtg s ASP 15 CO 0.06 0.12 2.07 0.50 -0.17 0.00 0.00 175.17 177.75 2jtg h LYS 16 N 3.13 0.00 0.00 4.34 3.11 -2.02 -3.06 116.57 122.07 2jtg h LYS 16 Ca -0.47 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.35 2jtg h LYS 16 Cb 1.20 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.43 2jtg h LYS 16 CO 0.51 0.12 -0.16 -0.44 -2.81 0.00 0.00 179.45 176.68 2jtg h ASP 17 N 0.00 0.00 -2.80 4.20 3.32 -1.97 -3.44 116.42 115.74 2jtg h ASP 17 Ca -0.00 -0.43 -0.57 0.00 0.02 0.00 0.00 57.03 56.05 2jtg h ASP 17 Cb 0.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2jtg h ASP 17 CO 0.02 0.80 1.23 -0.75 -1.72 0.00 0.00 179.24 178.82 2jtg s LYS 18 N -1.94 3.39 0.00 3.56 2.47 -1.16 -4.87 119.74 121.20 2jtg s LYS 18 Ca -0.11 1.32 0.00 0.00 -1.56 0.00 0.00 55.97 55.62 2jtg s LYS 18 Cb -0.00 -4.16 0.00 0.00 -1.46 0.00 0.00 37.83 32.21 2jtg s LYS 18 CO 0.34 -1.79 0.81 -0.35 0.16 0.00 0.00 175.35 174.52 2jtg n PRO 19 N 8.35 0.74 -2.58 4.03 -0.04 -1.26 -4.07 135.00 140.16 2jtg n PRO 19 Ca 0.21 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.24 2jtg n PRO 19 Cb 0.47 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2jtg n PRO 19 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2jtg n VAL 20 N 0.73 3.95 -0.84 0.52 3.14 -1.26 -4.98 118.33 119.59 2jtg n VAL 20 Ca 0.00 -4.12 -0.30 0.00 -2.96 0.00 0.00 64.34 56.96 2jtg n VAL 20 Cb 0.37 -2.35 0.17 0.00 -1.06 0.00 0.00 33.84 30.97 2jtg n VAL 20 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2jtg s SER 21 N 4.20 2.79 0.13 6.55 1.04 -1.26 -4.72 113.70 122.44 2jtg s SER 21 Ca 0.54 1.84 0.10 0.00 0.48 0.00 0.00 55.95 58.91 2jtg s SER 21 Cb 0.04 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 2jtg s SER 21 CO 0.08 -3.12 -0.23 -0.36 0.98 0.00 0.00 173.24 170.59 2jtg s PHE 22 N -2.70 2.03 -0.03 5.02 0.40 -1.26 -2.00 117.98 119.44 2jtg s PHE 22 Ca 0.66 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 56.58 2jtg s PHE 22 Cb -0.22 -1.07 0.03 0.00 0.51 0.00 0.00 43.02 42.27 2jtg s PHE 22 CO 0.59 0.31 0.04 -1.01 0.70 0.00 0.00 175.22 175.85 2jtg s HIS 23 N -1.35 0.03 0.75 0.36 3.76 0.29 -4.99 115.29 114.14 2jtg s HIS 23 Ca 0.12 0.17 -0.11 0.00 -0.15 0.00 0.00 55.06 55.09 2jtg s HIS 23 Cb -0.09 -0.29 0.04 0.00 1.11 0.00 0.00 32.58 33.35 2jtg s HIS 23 CO 0.06 -0.12 1.08 0.15 -0.85 0.00 0.00 174.74 175.06 2jtg s LYS 24 N 1.34 2.47 0.32 1.40 1.02 -1.26 0.13 119.74 125.16 2jtg s LYS 24 Ca -0.06 0.84 -0.29 0.00 0.02 0.00 0.00 55.97 56.48 2jtg s LYS 24 Cb -0.13 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 35.12 2jtg s LYS 24 CO -0.03 -1.40 1.58 1.19 -0.92 0.00 0.00 175.35 175.77 2jtg n PHE 25 N -3.32 2.94 -3.41 3.18 3.01 -0.79 -4.75 117.46 114.33 2jtg n PHE 25 Ca 0.07 0.29 -0.28 0.00 1.01 0.00 0.00 57.45 58.55 2jtg n PHE 25 Cb 0.55 -2.59 -0.03 0.00 -0.01 0.00 0.00 39.48 37.40 2jtg n PHE 25 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2jtg s PRO 26 N -0.95 3.58 -0.08 -1.08 0.04 -1.26 -4.98 135.00 130.27 2jtg s PRO 26 Ca 0.61 -0.11 0.08 0.00 0.04 0.00 0.00 61.00 61.62 2jtg s PRO 26 Cb -0.48 -2.68 -0.11 0.00 0.04 0.00 0.00 34.50 31.26 2jtg s PRO 26 CO 0.53 0.24 0.05 1.47 0.04 0.00 0.00 177.00 179.32 2jtg n LEU 27 N -1.03 0.00 0.19 -3.56 -0.00 -1.26 -4.53 117.00 106.81 2jtg n LEU 27 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.01 2jtg n LEU 27 Cb 0.54 0.20 0.37 0.00 -0.00 0.00 0.00 43.42 44.53 2jtg n LEU 27 CO 0.48 0.20 0.73 0.74 -0.00 0.00 0.00 177.39 179.54 2jtg h THR 28 N 0.00 1.22 -3.47 1.47 2.02 -2.00 -3.36 112.91 108.79 2jtg h THR 28 Ca -0.22 -1.26 -0.74 0.00 0.77 0.00 0.00 66.41 64.96 2jtg h THR 28 Cb 1.45 1.69 -0.29 0.00 -1.74 0.00 0.00 68.15 69.26 2jtg h THR 28 CO 0.01 0.36 -0.22 -0.60 0.37 0.00 0.00 175.52 175.44 2jtg s ARG 29 N -4.16 2.89 0.00 6.66 3.00 -1.26 -4.96 118.95 121.12 2jtg s ARG 29 Ca -0.03 -2.11 0.00 0.00 -1.00 0.00 0.00 55.73 52.59 2jtg s ARG 29 Cb 0.14 -4.08 0.00 0.00 0.00 0.00 0.00 34.95 31.01 2jtg s ARG 29 CO 0.72 -1.24 0.00 -0.35 0.00 0.00 0.00 175.30 174.43 2jtg n PRO 30 N 4.41 0.00 -0.08 5.12 -0.04 -1.26 -3.20 135.00 139.94 2jtg n PRO 30 Ca 0.01 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2jtg n PRO 30 Cb 0.42 -0.60 -0.01 0.00 -0.04 0.00 0.00 33.50 33.27 2jtg n PRO 30 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2jtg h SER 31 N 0.00 -0.69 -0.58 3.54 0.02 -1.96 0.73 113.55 114.61 2jtg h SER 31 Ca 0.00 0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 2jtg h SER 31 Cb 0.00 0.35 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 2jtg h SER 31 CO 0.00 -0.24 0.38 0.25 -1.14 0.00 0.00 176.83 176.08 2jtg h LEU 32 N -0.18 0.54 -1.82 5.07 5.85 -1.98 -0.70 115.31 122.08 2jtg h LEU 32 Ca 0.16 -0.00 0.21 0.00 0.84 0.00 0.00 57.88 59.09 2jtg h LEU 32 Cb 0.42 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2jtg h LEU 32 CO -0.42 0.36 0.57 0.00 -0.34 0.00 0.00 178.44 178.61 2jtg h LYS 34 N 0.15 0.55 -0.96 0.00 3.11 -0.52 0.84 116.57 119.73 2jtg h LYS 34 Ca 0.40 -0.03 0.07 0.00 -2.81 0.00 0.00 60.65 58.28 2jtg h LYS 34 Cb 1.35 -0.12 -0.07 0.00 -1.00 0.00 0.00 32.23 32.39 2jtg h LYS 34 CO -0.06 0.36 0.61 0.93 -2.81 0.00 0.00 179.45 178.48 2jtg h GLU 35 N 0.56 1.06 -0.38 1.90 5.08 -0.26 0.11 114.58 122.66 2jtg h GLU 35 Ca 0.50 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.82 2jtg h GLU 35 Cb 1.02 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2jtg h GLU 35 CO -0.24 0.70 0.26 -1.49 -1.00 0.00 0.00 179.01 177.24 2jtg h TRP 36 N 1.10 0.40 -0.84 4.33 4.06 0.65 0.20 115.95 125.85 2jtg h TRP 36 Ca 0.42 0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.46 2jtg h TRP 36 Cb 0.20 -0.13 -0.06 0.00 -1.00 0.00 0.00 29.16 28.17 2jtg h TRP 36 CO -0.01 0.24 0.55 0.93 -3.56 0.00 0.00 178.44 176.59 2jtg h GLU 37 N 0.42 0.85 -0.47 0.49 5.08 -0.42 0.35 114.58 120.88 2jtg h GLU 37 Ca 0.15 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2jtg h GLU 37 Cb 0.09 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2jtg h GLU 37 CO -0.04 0.56 0.22 0.00 -1.00 0.00 0.00 179.01 178.76 2jtg h ALA 38 N 1.56 1.51 -0.63 3.43 0.00 -0.52 -0.21 119.26 124.40 2jtg h ALA 38 Ca 0.38 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.37 2jtg h ALA 38 Cb 0.32 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2jtg h ALA 38 CO -0.14 0.39 0.59 0.00 0.00 0.00 0.00 179.25 180.08 2jtg h ALA 39 N 1.59 2.44 0.00 0.00 0.00 -0.05 -2.98 119.26 120.25 2jtg h ALA 39 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jtg h ALA 39 Cb 0.07 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jtg h ALA 39 CO -0.02 -0.91 -0.17 0.28 0.00 0.00 0.00 179.25 178.42 2jtg n VAL 40 N -3.84 0.39 0.00 0.00 0.31 -0.15 -4.21 118.33 110.83 2jtg n VAL 40 Ca 0.13 0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.87 2jtg n VAL 40 Cb 0.82 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 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 -2.93 0.00 0.00 5.55 3.00 -0.85 -4.52 116.66 116.91 2jtg n ARG 41 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 2jtg n ARG 41 Cb 0.09 -2.61 0.00 0.00 0.00 0.00 0.00 32.46 29.94 2jtg n ARG 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2jtg n ARG 42 N -1.88 3.36 -0.41 -0.14 3.00 -1.26 -5.07 116.66 114.27 2jtg n ARG 42 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 2jtg n ARG 42 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 32.46 32.62 2jtg n ARG 42 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2jtg n LYS 43 N 0.00 -1.82 -0.93 -0.14 0.00 -1.26 -4.63 118.16 109.38 2jtg n LYS 43 Ca 0.00 -0.77 -0.32 0.00 -0.00 0.00 0.00 58.31 57.23 2jtg n LYS 43 Cb 0.00 -1.39 -0.03 0.00 -0.00 0.00 0.00 35.03 33.61 2jtg n LYS 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2jtg n ASN 44 N -2.04 3.71 -0.04 -5.58 6.94 -1.26 -4.76 115.26 112.23 2jtg n ASN 44 Ca 0.07 -2.49 0.00 0.00 -0.02 0.00 0.00 54.58 52.15 2jtg n ASN 44 Cb 0.32 -1.10 0.00 0.00 -2.36 0.00 0.00 39.78 36.64 2jtg n ASN 44 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 2jtg n PHE 45 N 5.76 0.00 -1.53 -2.53 -1.74 -1.26 -4.59 117.46 111.56 2jtg n PHE 45 Ca 0.46 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.94 2jtg n PHE 45 Cb 0.26 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.21 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 -0.01 1.16 0.00 3.97 3.00 -1.26 -4.76 118.16 120.25 2jtg n LYS 46 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 2jtg n LYS 46 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 35.03 32.05 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 8.73 0.00 0.44 1.64 -0.02 -1.26 -2.14 135.00 142.39 2jtg n PRO 47 Ca 0.39 0.05 -0.19 0.00 -2.02 0.00 0.00 63.50 61.74 2jtg n PRO 47 Cb 0.40 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.29 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 0.19 0.00 3.45 1.03 -1.96 -3.24 112.91 112.39 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 0.01 0.19 0.00 0.00 -1.07 0.00 0.00 68.15 67.28 2jtg h THR 48 CO 0.00 0.00 -0.91 0.29 -0.01 0.00 0.00 175.52 174.89 2jtg n LYS 49 N -5.56 2.40 0.17 0.00 5.02 -1.21 -4.68 118.16 114.30 2jtg n LYS 49 Ca -0.15 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.27 2jtg n LYS 49 Cb 0.44 -0.95 0.27 0.00 -0.02 0.00 0.00 35.03 34.77 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 0.00 2.13 0.05 -1.64 -3.42 116.97 114.09 2jtg h TYR 50 Ca 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 2jtg h TYR 50 Cb 0.55 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.34 2jtg h TYR 50 CO 0.00 0.00 0.83 0.45 -1.05 0.00 0.00 178.16 178.39 2jtg n SER 51 N -2.73 0.11 -3.62 3.88 2.88 -1.22 -4.22 113.62 108.69 2jtg n SER 51 Ca 0.05 -1.56 -0.04 0.00 -1.33 0.00 0.00 58.87 55.99 2jtg n SER 51 Cb 0.49 -0.30 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 2jtg n SER 51 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jtg s SER 52 N 4.51 -0.11 0.11 -3.46 1.04 -1.26 -1.89 113.70 112.63 2jtg s SER 52 Ca 0.23 0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.76 2jtg s SER 52 Cb 0.05 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 2jtg s SER 52 CO 0.12 -0.14 -0.10 -0.63 0.98 0.00 0.00 173.24 173.46 2jtg s ILE 53 N -1.69 0.99 0.18 -1.02 -1.09 0.35 -2.17 121.20 116.76 2jtg s ILE 53 Ca 0.08 -1.71 0.07 0.00 -2.23 0.00 0.00 60.65 56.86 2jtg s ILE 53 Cb -0.01 -1.45 -0.04 0.00 -1.58 0.00 0.00 42.46 39.39 2jtg s ILE 53 CO -0.05 -0.58 0.05 0.00 -1.23 0.00 0.00 174.94 173.13 2jtg h SER 55 N 2.49 0.56 -1.22 0.00 0.87 -1.69 -2.87 113.55 111.70 2jtg h SER 55 Ca -0.47 0.03 0.35 0.00 -1.23 0.00 0.00 61.79 60.48 2jtg h SER 55 Cb 1.21 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 63.04 2jtg h SER 55 CO 0.60 0.29 1.20 -0.33 -0.53 0.00 0.00 176.83 178.05 2jtg h GLU 56 N 0.59 0.00 -0.00 2.24 5.08 -1.94 0.92 114.58 121.47 2jtg h GLU 56 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2jtg h GLU 56 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2jtg h GLU 56 CO -0.17 0.00 -0.63 0.72 -1.00 0.00 0.00 179.01 177.93 2jtg n HIS 57 N -3.48 0.00 -2.97 4.33 8.25 -1.08 -4.98 115.22 115.29 2jtg n HIS 57 Ca 0.27 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.49 2jtg n HIS 57 Cb 1.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.69 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 -2.37 3.36 0.13 4.41 0.08 0.32 -3.24 117.98 120.67 2jtg s PHE 58 Ca 0.09 0.41 -0.17 0.00 0.12 0.00 0.00 56.93 57.37 2jtg s PHE 58 Cb 0.13 -2.24 -0.07 0.00 -0.57 0.00 0.00 43.02 40.27 2jtg s PHE 58 CO 0.59 -0.26 0.59 0.95 -0.10 0.00 0.00 175.22 176.99 2jtg s THR 59 N -2.57 4.75 0.32 0.64 -4.23 -1.25 -4.97 115.64 108.34 2jtg s THR 59 Ca 0.46 1.07 0.08 0.00 -1.18 0.00 0.00 61.69 62.12 2jtg s THR 59 Cb -0.10 -3.82 0.31 0.00 1.34 0.00 0.00 72.50 70.23 2jtg s THR 59 CO 0.39 0.35 1.80 -0.65 -0.54 0.00 0.00 174.62 175.98 2jtg h PRO 60 N 3.89 0.70 0.00 3.99 0.11 -1.98 0.22 132.00 138.93 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 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2jtg h PRO 60 CO 0.65 0.47 0.00 0.22 -0.21 0.00 0.00 178.00 179.12 2jtg h ASP 61 N 0.72 0.00 0.25 -2.05 3.58 -2.01 -2.75 116.42 114.17 2jtg h ASP 61 Ca 0.55 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.00 2jtg h ASP 61 Cb 0.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2jtg h ASP 61 CO -0.32 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.04 2jtg n PHE 63 N -1.17 3.09 -1.49 0.00 3.72 -1.04 -4.59 117.46 115.98 2jtg n PHE 63 Ca 0.14 -2.67 -0.04 0.00 -0.05 0.00 0.00 57.45 54.83 2jtg n PHE 63 Cb 0.14 -0.68 0.20 0.00 -0.94 0.00 0.00 39.48 38.20 2jtg n PHE 63 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2jtg n LYS 64 N -0.66 1.84 -5.11 -1.08 -0.00 -1.22 -4.99 118.16 106.94 2jtg n LYS 64 Ca 0.49 -3.23 -0.32 0.00 -0.00 0.00 0.00 58.31 55.25 2jtg n LYS 64 Cb 0.68 -1.81 -0.15 0.00 -0.00 0.00 0.00 35.03 33.75 2jtg n LYS 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2jtg s ARG 65 N -3.27 2.25 -0.45 -1.58 1.81 -1.26 -5.09 118.95 111.34 2jtg s ARG 65 Ca 0.44 -0.85 0.03 0.00 -1.72 0.00 0.00 55.73 53.63 2jtg s ARG 65 Cb 0.41 -2.17 0.13 0.00 -0.45 0.00 0.00 34.95 32.86 2jtg s ARG 65 CO -0.01 0.58 0.22 -1.21 -0.68 0.00 0.00 175.30 174.20 2jtg s GLU 66 N -0.71 1.54 0.12 3.54 0.41 -1.26 -4.88 118.70 117.46 2jtg s GLU 66 Ca 0.11 -2.18 -0.01 0.00 -0.41 0.00 0.00 54.97 52.48 2jtg s GLU 66 Cb -0.10 -2.77 -0.04 0.00 -1.78 0.00 0.00 34.13 29.44 2jtg s GLU 66 CO -0.00 -1.11 0.05 0.00 -0.49 0.00 0.00 175.26 173.71 2jtg h ASN 68 N 2.89 0.21 0.00 0.00 -1.24 -2.08 -3.37 115.58 111.99 2jtg h ASN 68 Ca -0.35 -0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.46 2jtg h ASN 68 Cb 1.19 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 40.18 2jtg h ASN 68 CO 0.60 1.10 0.00 0.59 -1.29 0.00 0.00 177.43 178.43 2jtg n ASN 69 N -3.51 0.00 -3.72 1.15 3.02 -1.26 -5.01 115.26 105.93 2jtg n ASN 69 Ca -0.04 0.90 0.01 0.00 -0.03 0.00 0.00 54.58 55.43 2jtg n ASN 69 Cb 0.92 -0.40 0.01 0.00 -0.61 0.00 0.00 39.78 39.70 2jtg n ASN 69 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2jtg s LYS 70 N -2.59 0.56 -0.45 3.52 0.00 -1.26 -5.12 119.74 114.41 2jtg s LYS 70 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 55.97 55.64 2jtg s LYS 70 Cb 0.00 0.16 0.12 0.00 0.00 0.00 0.00 37.83 38.11 2jtg s LYS 70 CO 0.00 -0.26 0.20 -0.51 0.00 0.00 0.00 175.35 174.78 2jtg s LEU 71 N -3.65 3.79 -0.20 2.77 1.43 -1.26 -4.57 118.68 116.98 2jtg s LEU 71 Ca 0.27 -2.63 0.05 0.00 -1.03 0.00 0.00 54.13 50.78 2jtg s LEU 71 Cb -0.00 -1.41 0.16 0.00 0.03 0.00 0.00 46.19 44.97 2jtg s LEU 71 CO 0.00 -0.29 0.99 0.00 0.23 0.00 0.00 176.35 177.29 2jtg n LEU 72 N 3.59 -0.83 0.00 1.79 -0.00 -1.26 -4.93 117.00 115.35 2jtg n LEU 72 Ca 0.05 -2.01 -0.16 0.00 -0.00 0.00 0.00 56.01 53.89 2jtg n LEU 72 Cb 0.35 0.63 0.15 0.00 -0.00 0.00 0.00 43.42 44.55 2jtg n LEU 72 CO 0.27 1.31 0.18 1.17 -0.00 0.00 0.00 177.39 180.32 2jtg n LYS 73 N -0.60 -2.33 -0.46 1.47 3.00 -1.26 -4.32 118.16 113.66 2jtg n LYS 73 Ca -0.11 -0.74 0.42 0.00 -0.00 0.00 0.00 58.31 57.87 2jtg n LYS 73 Cb 0.67 -1.17 0.78 0.00 0.00 0.00 0.00 35.03 35.30 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 0.00 -0.40 1.64 4.22 -1.99 0.95 114.58 119.00 2jtg h GLU 74 Ca -0.20 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.15 2jtg h GLU 74 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2jtg h GLU 74 CO 0.12 0.00 -0.09 -0.91 -2.18 0.00 0.00 179.01 175.95 2jtg h ASN 75 N 0.00 0.77 -1.41 1.04 2.35 -1.95 -3.45 115.58 112.94 2jtg h ASN 75 Ca 0.70 -0.36 -0.69 0.00 -0.55 0.00 0.00 56.30 55.40 2jtg h ASN 75 Cb 2.83 -0.21 0.08 0.00 0.05 0.00 0.00 38.32 41.07 2jtg h ASN 75 CO -0.01 0.95 -0.03 0.00 -1.65 0.00 0.00 177.43 176.69 2jtg n ALA 76 N -2.44 -2.22 -3.64 -0.83 0.00 0.33 -4.89 120.51 106.81 2jtg n ALA 76 Ca -0.01 0.49 -0.06 0.00 0.00 0.00 0.00 53.44 53.86 2jtg n ALA 76 Cb 0.35 -1.83 -0.07 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.40 0.00 -0.19 0.00 1.01 -1.26 -4.91 120.40 114.65 2jtg s VAL 77 Ca 0.75 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2jtg s VAL 77 Cb -0.99 -1.00 0.20 0.00 0.00 0.00 0.00 36.38 34.59 2jtg s VAL 77 CO 0.55 0.00 1.61 -0.81 0.00 0.00 0.00 175.10 176.45 2jtg n PRO 78 N 2.03 1.49 0.00 2.72 -0.04 -1.26 -3.74 135.00 136.20 2jtg n PRO 78 Ca -0.12 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 2jtg n PRO 78 Cb 0.56 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.25 0.00 -0.37 0.52 -2.24 -1.20 -0.43 114.28 110.81 2jtg n THR 79 Ca 0.21 0.00 0.35 0.00 -2.27 0.00 0.00 64.05 62.34 2jtg n THR 79 Cb 0.76 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.61 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 0.00 0.00 2.28 2.04 -1.88 0.23 117.51 120.19 2jtg h ILE 80 Ca 0.00 -0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 2jtg h ILE 80 Cb 0.00 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 2jtg h ILE 80 CO 0.00 0.00 -1.98 0.49 0.00 0.00 0.00 178.15 176.66 2jtg n PHE 81 N -5.08 0.00 -1.54 1.37 3.01 0.43 -4.89 117.46 110.76 2jtg n PHE 81 Ca 0.39 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.56 2jtg n PHE 81 Cb 1.39 -0.57 -0.09 0.00 -0.01 0.00 0.00 39.48 40.20 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 -2.32 1.35 -0.07 4.37 -0.00 0.82 -4.77 117.00 116.39 2jtg n LEU 82 Ca -0.11 -0.66 -0.10 0.00 -0.00 0.00 0.00 56.01 55.14 2jtg n LEU 82 Cb 0.68 -1.36 -0.07 0.00 -0.00 0.00 0.00 43.42 42.66 2jtg n LEU 82 CO 0.39 -1.70 0.06 -0.33 -0.00 0.00 0.00 177.39 175.82 2jtg h GLU 83 N 15.31 0.00 -5.34 1.96 5.08 -1.90 -3.46 114.58 126.22 2jtg h GLU 83 Ca -0.11 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.64 2jtg h GLU 83 Cb 1.19 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 2jtg h GLU 83 CO 1.22 0.58 -0.50 -0.51 -1.00 0.00 0.00 179.01 178.79 2jtg s LEU 84 N -8.28 4.18 -0.09 1.33 1.43 -1.26 -5.09 118.68 110.90 2jtg s LEU 84 Ca -0.14 0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 53.07 2jtg s LEU 84 Cb -0.00 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.18 2jtg s LEU 84 CO 0.41 0.22 0.35 0.54 0.23 0.00 0.00 176.35 178.10 2jtg s VAL 85 N 0.11 0.02 0.11 -1.59 0.11 -1.26 -5.07 120.40 112.83 2jtg s VAL 85 Ca 0.09 -0.18 -0.22 0.00 -2.93 0.00 0.00 61.98 58.74 2jtg s VAL 85 Cb -0.11 -0.56 -0.08 0.00 -1.53 0.00 0.00 36.38 34.09 2jtg s VAL 85 CO -0.01 -0.10 1.71 -0.65 -3.33 0.00 0.00 175.10 172.73 2jtg h PRO 86 N 4.86 -0.04 0.00 1.54 0.11 -2.03 -3.56 132.00 132.88 2jtg h PRO 86 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2jtg h PRO 86 Cb 1.18 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jtg h PRO 86 CO 0.33 -0.03 0.00 2.89 -0.21 0.00 0.00 178.00 180.98