#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 1.76 0.00 1.12 0.24 -1.26 -4.93 118.33 115.26 2jtg n VAL 2 Ca 0.00 -1.79 0.00 0.00 -2.04 0.00 0.00 64.34 60.51 2jtg n VAL 2 Cb 0.00 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 2jtg n VAL 2 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2jtg n GLN 3 N -0.77 0.00 -2.34 7.34 -0.06 -1.26 -4.93 117.38 115.36 2jtg n GLN 3 Ca 0.14 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.90 2jtg n GLN 3 Cb 0.63 0.00 0.06 0.00 -4.06 0.00 0.00 30.24 26.86 2jtg n GLN 3 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2jtg s SER 4 N 0.00 5.04 0.34 1.69 1.04 -1.26 -4.63 113.70 115.93 2jtg s SER 4 Ca 0.00 0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.85 2jtg s SER 4 Cb 0.00 -1.15 -0.05 0.00 0.10 0.00 0.00 66.02 64.92 2jtg s SER 4 CO 0.00 -1.41 0.09 0.00 0.98 0.00 0.00 173.24 172.90 2jtg h SER 6 N 2.04 0.49 -0.74 0.00 0.87 -1.63 -3.45 113.55 111.13 2jtg h SER 6 Ca -0.38 -0.64 -0.78 0.00 -1.23 0.00 0.00 61.79 58.75 2jtg h SER 6 Cb 1.26 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 2jtg h SER 6 CO 0.63 1.05 1.07 0.00 -0.53 0.00 0.00 176.83 179.06 2jtg n ALA 7 N -2.52 -0.19 -1.65 6.23 0.00 -1.26 -4.78 120.51 116.35 2jtg n ALA 7 Ca -0.08 0.28 -0.49 0.00 0.00 0.00 0.00 53.44 53.15 2jtg n ALA 7 Cb 0.54 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.81 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 6.43 2.00 -3.72 0.00 9.36 -1.26 -1.99 117.16 127.98 2jtg n TYR 8 Ca 0.41 0.39 -0.23 0.00 3.32 0.00 0.00 57.90 61.78 2jtg n TYR 8 Cb 0.03 -2.48 0.04 0.00 -0.63 0.00 0.00 39.34 36.30 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 3.27 -0.35 3.87 2.98 0.00 -1.26 -4.97 105.19 108.73 2jtg n GLY 9 Ca 0.19 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.52 2.98 -0.79 0.00 3.00 -1.26 -5.01 118.16 114.57 2jtg n LYS 11 Ca 0.05 -2.94 -0.32 0.00 -0.00 0.00 0.00 58.31 55.10 2jtg n LYS 11 Cb 0.54 -1.91 0.13 0.00 0.00 0.00 0.00 35.03 33.80 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 -0.49 -1.22 0.00 3.14 6.94 -1.26 -4.98 115.26 117.40 2jtg n ASN 12 Ca 0.25 0.37 0.00 0.00 -0.02 0.00 0.00 54.58 55.19 2jtg n ASN 12 Cb 0.98 -1.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.10 2jtg n ASN 12 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2jtg n ARG 13 N -2.49 0.00 -2.53 -3.83 -4.01 -1.26 -4.42 116.66 98.11 2jtg n ARG 13 Ca 0.09 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.48 2jtg n ARG 13 Cb 0.53 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.94 2jtg n ARG 13 CO 0.00 0.00 0.00 -0.47 -3.04 0.00 0.00 177.63 174.12 2jtg s TYR 14 N 0.00 2.69 0.31 2.89 5.04 -1.26 -4.68 117.35 122.35 2jtg s TYR 14 Ca 0.00 -1.41 -0.02 0.00 -2.44 0.00 0.00 57.07 53.20 2jtg s TYR 14 Cb 0.00 -4.69 -0.04 0.00 0.35 0.00 0.00 41.96 37.58 2jtg s TYR 14 CO 0.00 -1.76 0.54 0.34 -1.34 0.00 0.00 175.55 173.33 2jtg s ASP 15 N 4.47 6.36 0.57 4.32 2.15 -1.21 -4.68 116.67 128.64 2jtg s ASP 15 Ca 0.55 0.56 0.27 0.00 0.43 0.00 0.00 52.55 54.36 2jtg s ASP 15 Cb 0.03 -2.08 1.53 0.00 -0.30 0.00 0.00 42.92 42.10 2jtg s ASP 15 CO 0.08 -0.24 2.05 0.07 -0.17 0.00 0.00 175.17 176.95 2jtg h LYS 16 N 1.21 0.00 0.00 4.34 2.10 -2.02 -2.66 116.57 119.54 2jtg h LYS 16 Ca -0.49 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.01 2jtg h LYS 16 Cb 1.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 2jtg h LYS 16 CO 0.64 0.00 -0.99 -0.44 -2.00 0.00 0.00 179.45 176.66 2jtg h ASP 17 N 0.00 0.00 -2.83 7.07 3.32 -1.97 -3.45 116.42 118.56 2jtg h ASP 17 Ca 0.14 -0.36 -0.56 0.00 0.02 0.00 0.00 57.03 56.27 2jtg h ASP 17 Cb 0.68 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 2jtg h ASP 17 CO -0.00 1.25 1.19 -0.75 -1.72 0.00 0.00 179.24 179.21 2jtg s LYS 18 N -2.31 3.34 0.00 3.56 2.47 -1.00 -4.88 119.74 120.92 2jtg s LYS 18 Ca -0.24 1.06 0.00 0.00 -1.56 0.00 0.00 55.97 55.23 2jtg s LYS 18 Cb 0.04 -4.15 0.00 0.00 -1.46 0.00 0.00 37.83 32.27 2jtg s LYS 18 CO 0.47 -1.85 1.53 -0.35 0.16 0.00 0.00 175.35 175.31 2jtg n PRO 19 N 8.41 0.92 -2.17 4.03 -0.04 -1.26 -3.31 135.00 141.57 2jtg n PRO 19 Ca 0.19 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.23 2jtg n PRO 19 Cb 0.48 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.14 3.83 0.30 0.52 0.11 -1.26 -5.01 120.40 119.03 2jtg s VAL 20 Ca 0.00 0.98 0.04 0.00 -2.93 0.00 0.00 61.98 60.07 2jtg s VAL 20 Cb 0.00 -3.71 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 2jtg s VAL 20 CO 0.00 -0.17 0.46 -0.94 -3.33 0.00 0.00 175.10 171.12 2jtg s SER 21 N 3.20 6.22 0.11 3.54 1.04 -1.26 -4.65 113.70 121.90 2jtg s SER 21 Ca 0.67 0.15 0.09 0.00 0.48 0.00 0.00 55.95 57.34 2jtg s SER 21 Cb -0.27 -1.78 -0.04 0.00 0.10 0.00 0.00 66.02 64.04 2jtg s SER 21 CO 0.25 -0.24 -0.23 -0.36 0.98 0.00 0.00 173.24 173.63 2jtg s PHE 22 N -2.15 1.99 -0.05 5.02 0.40 -1.26 -1.39 117.98 120.54 2jtg s PHE 22 Ca 0.39 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 56.30 2jtg s PHE 22 Cb -0.09 -1.09 0.04 0.00 0.51 0.00 0.00 43.02 42.38 2jtg s PHE 22 CO 0.32 0.25 0.09 -1.01 0.70 0.00 0.00 175.22 175.57 2jtg s HIS 23 N -1.11 -0.05 0.79 0.36 3.76 0.66 -4.96 115.29 114.73 2jtg s HIS 23 Ca 0.09 0.33 -0.11 0.00 -0.15 0.00 0.00 55.06 55.22 2jtg s HIS 23 Cb -0.10 -0.25 0.06 0.00 1.11 0.00 0.00 32.58 33.40 2jtg s HIS 23 CO 0.05 -0.16 1.09 0.15 -0.85 0.00 0.00 174.74 175.01 2jtg s LYS 24 N 1.54 2.15 0.25 1.40 3.01 -1.26 0.14 119.74 126.97 2jtg s LYS 24 Ca -0.04 0.94 -0.31 0.00 -1.01 0.00 0.00 55.97 55.56 2jtg s LYS 24 Cb -0.12 -1.90 -0.11 0.00 -1.01 0.00 0.00 37.83 34.69 2jtg s LYS 24 CO -0.04 -1.65 1.58 -0.06 0.51 0.00 0.00 175.35 175.69 2jtg s PHE 25 N -2.99 2.87 0.31 3.18 0.40 -0.61 -4.75 117.98 116.39 2jtg s PHE 25 Ca 0.61 0.73 -0.04 0.00 -0.60 0.00 0.00 56.93 57.63 2jtg s PHE 25 Cb -0.16 -4.01 -0.05 0.00 0.51 0.00 0.00 43.02 39.31 2jtg s PHE 25 CO 0.56 -3.51 0.56 -1.25 0.70 0.00 0.00 175.22 172.28 2jtg s PRO 26 N 0.03 3.61 -0.07 0.24 0.04 -1.26 -4.98 135.00 132.60 2jtg s PRO 26 Ca 0.65 -0.03 0.08 0.00 0.04 0.00 0.00 61.00 61.74 2jtg s PRO 26 Cb -0.46 -2.64 -0.12 0.00 0.04 0.00 0.00 34.50 31.32 2jtg s PRO 26 CO 0.42 0.19 0.06 1.47 0.04 0.00 0.00 177.00 179.18 2jtg n LEU 27 N -1.11 0.00 0.20 -3.56 -0.00 -1.26 -4.53 117.00 106.74 2jtg n LEU 27 Ca -0.02 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.03 2jtg n LEU 27 Cb 0.54 0.18 0.44 0.00 -0.00 0.00 0.00 43.42 44.58 2jtg n LEU 27 CO 0.48 0.18 0.80 0.71 -0.00 0.00 0.00 177.39 179.56 2jtg h THR 28 N 0.00 1.13 -3.44 1.47 1.35 -2.00 -3.36 112.91 108.06 2jtg h THR 28 Ca -0.20 -1.03 -0.74 0.00 -0.55 0.00 0.00 66.41 63.89 2jtg h THR 28 Cb 1.34 1.57 -0.29 0.00 -1.73 0.00 0.00 68.15 69.04 2jtg h THR 28 CO 0.01 0.29 -0.25 -0.60 -0.25 0.00 0.00 175.52 174.71 2jtg s ARG 29 N -4.28 2.81 0.00 4.72 3.00 -1.26 -4.96 118.95 118.98 2jtg s ARG 29 Ca -0.03 -2.07 0.00 0.00 -1.00 0.00 0.00 55.73 52.63 2jtg s ARG 29 Cb 0.14 -4.05 0.00 0.00 0.00 0.00 0.00 34.95 31.05 2jtg s ARG 29 CO 0.70 -1.23 0.00 -0.35 0.00 0.00 0.00 175.30 174.42 2jtg n PRO 30 N 4.45 0.00 -0.08 5.12 -0.04 -1.26 -3.23 135.00 139.97 2jtg n PRO 30 Ca -0.00 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 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 -0.76 -0.59 3.54 4.64 -1.96 0.72 113.55 119.15 2jtg h SER 31 Ca 0.00 0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.52 2jtg h SER 31 Cb 0.00 0.37 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 2jtg h SER 31 CO 0.00 -0.26 0.39 0.25 -0.87 0.00 0.00 176.83 176.34 2jtg h LEU 32 N -0.21 0.54 -1.90 5.97 5.85 -1.98 -0.79 115.31 122.79 2jtg h LEU 32 Ca 0.16 -0.00 0.23 0.00 0.84 0.00 0.00 57.88 59.11 2jtg h LEU 32 Cb 0.45 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2jtg h LEU 32 CO -0.43 0.36 0.59 0.00 -0.34 0.00 0.00 178.44 178.63 2jtg h LYS 34 N 0.08 0.62 -0.83 0.00 3.11 -0.60 0.86 116.57 119.81 2jtg h LYS 34 Ca 0.41 -0.04 0.08 0.00 -2.81 0.00 0.00 60.65 58.29 2jtg h LYS 34 Cb 1.49 -0.14 -0.07 0.00 -1.00 0.00 0.00 32.23 32.51 2jtg h LYS 34 CO -0.04 0.41 0.49 0.93 -2.81 0.00 0.00 179.45 178.42 2jtg h GLU 35 N 0.63 0.82 -0.47 1.90 5.08 -0.25 0.15 114.58 122.43 2jtg h GLU 35 Ca 0.54 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.88 2jtg h GLU 35 Cb 1.01 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2jtg h GLU 35 CO -0.30 0.54 0.32 -1.49 -1.00 0.00 0.00 179.01 177.08 2jtg h TRP 36 N 0.84 0.53 -0.88 4.33 4.06 0.67 0.16 115.95 125.66 2jtg h TRP 36 Ca 0.38 0.01 0.09 0.00 2.06 0.00 0.00 58.89 61.44 2jtg h TRP 36 Cb 0.29 -0.18 -0.06 0.00 -1.00 0.00 0.00 29.16 28.21 2jtg h TRP 36 CO -0.05 0.31 0.57 0.93 -3.56 0.00 0.00 178.44 176.64 2jtg h GLU 37 N 0.55 0.85 -0.54 0.49 5.08 -0.18 0.41 114.58 121.23 2jtg h GLU 37 Ca 0.19 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2jtg h GLU 37 Cb 0.07 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2jtg h GLU 37 CO -0.05 0.56 0.25 0.00 -1.00 0.00 0.00 179.01 178.78 2jtg h ALA 38 N 1.56 1.43 -0.43 3.43 0.00 -0.54 0.21 119.26 124.92 2jtg h ALA 38 Ca 0.41 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.32 2jtg h ALA 38 Cb 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2jtg h ALA 38 CO -0.17 0.45 0.42 0.00 0.00 0.00 0.00 179.25 179.95 2jtg h ALA 39 N 1.52 2.18 0.00 0.00 0.00 0.11 -3.19 119.26 119.88 2jtg h ALA 39 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jtg h ALA 39 Cb 0.09 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jtg h ALA 39 CO -0.02 -0.64 -0.26 0.28 0.00 0.00 0.00 179.25 178.61 2jtg n VAL 40 N -3.85 0.42 -1.68 0.00 0.31 -0.11 -3.98 118.33 109.44 2jtg n VAL 40 Ca 0.08 0.40 -0.16 0.00 -0.01 0.00 0.00 64.34 64.65 2jtg n VAL 40 Cb 0.60 -1.74 -0.05 0.00 -0.91 0.00 0.00 33.84 31.74 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 -3.03 -1.18 -0.18 5.55 0.00 -0.20 -4.33 116.66 113.29 2jtg n ARG 41 Ca -0.04 1.01 0.00 0.00 -0.00 0.00 0.00 57.85 58.82 2jtg n ARG 41 Cb 0.13 -5.25 0.00 0.00 0.00 0.00 0.00 32.46 27.34 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 -2.54 2.16 0.05 -0.14 0.00 -1.26 -5.04 116.66 109.89 2jtg n ARG 42 Ca -0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.56 2jtg n ARG 42 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.94 2jtg n ARG 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 2jtg h LYS 43 N 0.00 -0.17 -0.34 -0.14 5.09 -2.02 -3.44 116.57 115.55 2jtg h LYS 43 Ca 0.00 0.01 -0.15 0.00 0.09 0.00 0.00 60.65 60.60 2jtg h LYS 43 Cb 0.00 0.04 -0.15 0.00 0.10 0.00 0.00 32.23 32.22 2jtg h LYS 43 CO 0.00 0.26 -0.39 0.09 -2.09 0.00 0.00 179.45 177.32 2jtg n ASN 44 N -4.94 -2.73 -1.35 7.07 3.02 -1.26 -5.08 115.26 109.99 2jtg n ASN 44 Ca -0.08 -2.74 -0.02 0.00 -0.03 0.00 0.00 54.58 51.70 2jtg n ASN 44 Cb 0.26 1.55 -0.03 0.00 -0.61 0.00 0.00 39.78 40.96 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 2.14 0.00 -1.59 3.10 1.16 -1.26 -4.72 117.46 116.30 2jtg n PHE 45 Ca 0.11 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.26 2jtg n PHE 45 Cb 0.62 -0.16 -0.03 0.00 -1.61 0.00 0.00 39.48 38.29 2jtg n PHE 45 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 2jtg n LYS 46 N 1.57 1.86 0.00 3.97 3.00 -1.26 -4.64 118.16 122.65 2jtg n LYS 46 Ca 0.07 0.49 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 2jtg n LYS 46 Cb 0.12 -3.21 0.00 0.00 0.00 0.00 0.00 35.03 31.95 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 8.75 0.00 0.42 1.64 -0.02 -1.26 -0.87 135.00 143.66 2jtg n PRO 47 Ca 0.31 0.19 -0.19 0.00 -2.02 0.00 0.00 63.50 61.79 2jtg n PRO 47 Cb 0.44 -1.64 -0.09 0.00 -0.02 0.00 0.00 33.50 32.19 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 0.24 0.00 3.45 1.03 -1.95 -3.30 112.91 112.37 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 0.28 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 67.59 2jtg h THR 48 CO 0.00 0.00 -0.66 2.29 -0.01 0.00 0.00 175.52 177.14 2jtg n LYS 49 N -5.54 2.07 0.18 0.00 0.00 -1.08 -4.72 118.16 109.07 2jtg n LYS 49 Ca -0.15 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.23 2jtg n LYS 49 Cb 0.42 -0.83 0.19 0.00 -0.00 0.00 0.00 35.03 34.81 2jtg n LYS 49 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 2jtg h TYR 50 N 0.00 0.00 0.00 5.58 0.05 -1.22 -3.39 116.97 118.00 2jtg h TYR 50 Ca 0.00 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.52 2jtg h TYR 50 Cb 0.06 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.83 2jtg h TYR 50 CO 0.00 0.34 1.76 0.45 -1.05 0.00 0.00 178.16 179.67 2jtg n SER 51 N -3.27 2.19 -3.61 3.88 2.88 -1.22 -4.34 113.62 110.12 2jtg n SER 51 Ca 0.02 -2.23 -0.04 0.00 -1.33 0.00 0.00 58.87 55.28 2jtg n SER 51 Cb 0.60 -0.78 -0.03 0.00 -0.75 0.00 0.00 64.21 63.25 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 4.59 -0.12 0.09 -3.46 1.04 -1.26 -1.57 113.70 113.01 2jtg s SER 52 Ca 0.27 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.80 2jtg s SER 52 Cb 0.07 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 2jtg s SER 52 CO 0.03 -0.15 -0.09 -0.63 0.98 0.00 0.00 173.24 173.38 2jtg s ILE 53 N -1.70 0.85 0.23 -1.02 -1.09 0.38 -2.16 121.20 116.69 2jtg s ILE 53 Ca 0.08 -1.66 0.08 0.00 -2.23 0.00 0.00 60.65 56.91 2jtg s ILE 53 Cb -0.01 -1.37 -0.04 0.00 -1.58 0.00 0.00 42.46 39.46 2jtg s ILE 53 CO -0.05 -0.62 0.09 0.00 -1.23 0.00 0.00 174.94 173.14 2jtg h SER 55 N 1.93 0.90 -1.27 0.00 0.02 -1.59 -2.99 113.55 110.56 2jtg h SER 55 Ca -0.47 0.04 0.37 0.00 -0.84 0.00 0.00 61.79 60.89 2jtg h SER 55 Cb 1.23 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 2jtg h SER 55 CO 0.60 0.49 1.22 -0.62 -1.14 0.00 0.00 176.83 177.39 2jtg n GLU 56 N -4.59 0.01 -0.01 3.45 1.02 -1.26 0.11 120.64 119.37 2jtg n GLU 56 Ca 0.18 0.98 0.09 0.00 -0.02 0.00 0.00 57.16 58.40 2jtg n GLU 56 Cb 0.34 -2.39 -0.14 0.00 -0.02 0.00 0.00 31.44 29.24 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 -3.35 0.00 -2.87 -0.32 8.25 -1.13 -4.98 115.22 110.82 2jtg n HIS 57 Ca 0.29 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.44 2jtg n HIS 57 Cb 1.60 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 32.35 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 -3.18 3.46 0.12 4.41 0.08 0.30 -3.58 117.98 119.59 2jtg s PHE 58 Ca -0.03 1.07 -0.17 0.00 0.12 0.00 0.00 56.93 57.92 2jtg s PHE 58 Cb 0.13 -2.46 -0.07 0.00 -0.57 0.00 0.00 43.02 40.05 2jtg s PHE 58 CO 0.79 -0.09 0.57 0.95 -0.10 0.00 0.00 175.22 177.34 2jtg s THR 59 N -2.34 4.78 0.33 0.64 -4.23 -1.25 -4.97 115.64 108.59 2jtg s THR 59 Ca 0.52 1.03 0.08 0.00 -1.18 0.00 0.00 61.69 62.14 2jtg s THR 59 Cb -0.10 -3.81 0.32 0.00 1.34 0.00 0.00 72.50 70.24 2jtg s THR 59 CO 0.30 0.36 1.81 -0.65 -0.54 0.00 0.00 174.62 175.90 2jtg h PRO 60 N 3.93 0.70 -0.31 3.99 0.11 -1.94 0.01 132.00 138.49 2jtg h PRO 60 Ca -0.49 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.66 2jtg h PRO 60 Cb 1.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2jtg h PRO 60 CO 0.65 0.46 0.22 0.22 -0.21 0.00 0.00 178.00 179.34 2jtg h ASP 61 N 0.72 0.03 0.12 -2.05 3.58 -2.02 0.20 116.42 117.00 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 0.89 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.93 2jtg h ASP 61 CO -0.31 0.02 -0.10 0.00 -2.88 0.00 0.00 179.24 175.97 2jtg n PHE 63 N -0.32 3.35 -0.14 0.00 3.01 0.69 -4.66 117.46 119.39 2jtg n PHE 63 Ca 0.16 -2.98 0.07 0.00 1.01 0.00 0.00 57.45 55.71 2jtg n PHE 63 Cb 0.33 -0.38 0.18 0.00 -0.01 0.00 0.00 39.48 39.60 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 -0.47 2.65 -3.15 -1.08 -0.00 -1.25 -4.96 118.16 109.90 2jtg n LYS 64 Ca 0.42 -2.11 -0.39 0.00 -0.00 0.00 0.00 58.31 56.23 2jtg n LYS 64 Cb 0.54 -1.33 -0.05 0.00 -0.00 0.00 0.00 35.03 34.18 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 -1.02 4.33 0.50 -1.58 0.52 -1.26 -4.95 118.95 115.49 2jtg s ARG 65 Ca 0.28 0.66 0.21 0.00 -0.52 0.00 0.00 55.73 56.36 2jtg s ARG 65 Cb 0.15 -3.49 1.27 0.00 0.52 0.00 0.00 34.95 33.40 2jtg s ARG 65 CO 0.20 -0.01 2.01 1.49 0.02 0.00 0.00 175.30 179.00 2jtg h GLU 66 N 7.00 0.12 -4.95 3.54 4.57 -1.93 -3.34 114.58 119.60 2jtg h GLU 66 Ca -0.38 -0.01 -0.45 0.00 -1.18 0.00 0.00 59.36 57.34 2jtg h GLU 66 Cb 1.17 -0.03 0.06 0.00 -0.16 0.00 0.00 28.75 29.79 2jtg h GLU 66 CO 0.76 0.08 1.34 0.00 -1.18 0.00 0.00 179.01 180.01 2jtg h ASN 68 N 9.63 0.16 0.67 0.00 -0.00 -2.02 0.78 115.58 124.80 2jtg h ASN 68 Ca 0.25 0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.57 2jtg h ASN 68 Cb 0.79 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.10 2jtg h ASN 68 CO 1.68 0.06 0.00 -3.20 -0.00 0.00 0.00 177.43 175.96 2jtg n ASN 69 N -4.37 0.37 -3.32 1.15 2.85 -1.26 -4.42 115.26 106.26 2jtg n ASN 69 Ca 0.18 0.59 -0.10 0.00 -0.11 0.00 0.00 54.58 55.14 2jtg n ASN 69 Cb 0.85 -0.67 -0.06 0.00 1.24 0.00 0.00 39.78 41.13 2jtg n ASN 69 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2jtg s LYS 70 N -3.16 0.41 -0.35 1.20 1.02 0.27 -5.06 119.74 114.08 2jtg s LYS 70 Ca 0.06 0.05 -0.01 0.00 0.02 0.00 0.00 55.97 56.09 2jtg s LYS 70 Cb 0.10 -0.37 0.13 0.00 -0.52 0.00 0.00 37.83 37.17 2jtg s LYS 70 CO 0.35 -1.04 0.19 -0.51 -0.92 0.00 0.00 175.35 173.42 2jtg s LEU 71 N 2.47 1.14 -0.10 3.17 1.43 -1.24 -4.62 118.68 120.94 2jtg s LEU 71 Ca 0.10 -2.02 0.04 0.00 -1.03 0.00 0.00 54.13 51.21 2jtg s LEU 71 Cb -0.13 -0.48 0.12 0.00 0.03 0.00 0.00 46.19 45.73 2jtg s LEU 71 CO -0.30 -0.34 0.78 0.00 0.23 0.00 0.00 176.35 176.72 2jtg n LEU 72 N 4.28 -0.52 0.00 1.79 -0.00 -1.26 -4.97 117.00 116.32 2jtg n LEU 72 Ca 0.07 -1.59 -0.30 0.00 -0.00 0.00 0.00 56.01 54.19 2jtg n LEU 72 Cb 0.38 0.50 0.29 0.00 -0.00 0.00 0.00 43.42 44.59 2jtg n LEU 72 CO 0.13 1.18 0.34 0.29 -0.00 0.00 0.00 177.39 179.33 2jtg n LYS 73 N -0.46 -4.78 -0.38 1.47 4.76 -1.26 -4.50 118.16 113.02 2jtg n LYS 73 Ca -0.08 -1.43 0.38 0.00 -2.87 0.00 0.00 58.31 54.31 2jtg n LYS 73 Cb 0.59 -1.90 0.75 0.00 -1.84 0.00 0.00 35.03 32.64 2jtg n LYS 73 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2jtg h GLU 74 N 0.00 0.00 -0.31 1.97 4.57 -2.00 0.83 114.58 119.63 2jtg h GLU 74 Ca -0.39 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.67 2jtg h GLU 74 Cb 1.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 2jtg h GLU 74 CO 0.23 0.00 -0.27 -0.91 -1.18 0.00 0.00 179.01 176.89 2jtg h ASN 75 N 0.00 0.78 -0.97 1.04 2.35 -1.96 -3.46 115.58 113.35 2jtg h ASN 75 Ca 0.63 -0.45 -0.53 0.00 -0.55 0.00 0.00 56.30 55.39 2jtg h ASN 75 Cb 2.59 -0.22 0.10 0.00 0.05 0.00 0.00 38.32 40.84 2jtg h ASN 75 CO -0.01 1.07 -0.53 0.00 -1.65 0.00 0.00 177.43 176.31 2jtg n ALA 76 N -2.49 -2.56 -3.64 -0.83 0.00 0.29 -4.97 120.51 106.30 2jtg n ALA 76 Ca -0.03 0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.62 2jtg n ALA 76 Cb 0.46 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.97 0.00 -0.27 0.00 1.01 -1.26 -4.93 120.40 113.97 2jtg s VAL 77 Ca 0.50 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.49 2jtg s VAL 77 Cb -0.68 -1.00 0.30 0.00 0.00 0.00 0.00 36.38 35.00 2jtg s VAL 77 CO 0.47 0.00 1.69 -0.81 0.00 0.00 0.00 175.10 176.45 2jtg n PRO 78 N 2.14 1.73 0.00 2.72 -0.04 -1.26 -3.92 135.00 136.36 2jtg n PRO 78 Ca -0.12 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 2jtg n PRO 78 Cb 0.56 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2jtg n PRO 78 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2jtg n THR 79 N -0.10 0.00 -0.54 0.52 -1.04 -1.23 -0.12 114.28 111.77 2jtg n THR 79 Ca 0.31 0.00 0.45 0.00 -2.04 0.00 0.00 64.05 62.77 2jtg n THR 79 Cb 0.90 0.00 0.71 0.00 -1.82 0.00 0.00 70.33 70.11 2jtg n THR 79 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2jtg h ILE 80 N 0.00 0.02 -0.01 12.58 2.04 -1.89 0.82 117.51 131.08 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 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 2jtg h ILE 80 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.64 2jtg n PHE 81 N -3.73 0.00 -1.08 1.37 3.01 0.83 -4.95 117.46 112.91 2jtg n PHE 81 Ca 0.37 -0.03 -0.32 0.00 1.01 0.00 0.00 57.45 58.49 2jtg n PHE 81 Cb 1.83 -0.00 0.12 0.00 -0.01 0.00 0.00 39.48 41.42 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 -0.19 3.03 0.54 4.37 2.96 0.28 -4.49 118.68 125.18 2jtg s LEU 82 Ca 0.02 2.10 0.27 0.00 -0.22 0.00 0.00 54.13 56.30 2jtg s LEU 82 Cb 0.01 -4.56 1.44 0.00 0.50 0.00 0.00 46.19 43.58 2jtg s LEU 82 CO 0.02 -2.51 1.96 1.05 -1.32 0.00 0.00 176.35 175.55 2jtg h GLU 83 N -1.21 0.00 0.00 1.98 9.09 -1.93 -3.32 114.58 119.19 2jtg h GLU 83 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 2jtg h GLU 83 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 2jtg h GLU 83 CO 0.47 0.00 0.00 -0.11 0.05 0.00 0.00 179.01 179.42 2jtg n LEU 84 N -4.27 0.00 -3.81 3.06 7.94 -1.26 -4.55 117.00 114.11 2jtg n LEU 84 Ca 0.12 0.08 -0.13 0.00 -1.11 0.00 0.00 56.01 54.97 2jtg n LEU 84 Cb 0.70 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.51 2jtg n LEU 84 CO 0.36 0.00 -0.28 -0.69 -1.11 0.00 0.00 177.39 175.67 2jtg s VAL 85 N -0.86 -0.02 0.00 1.96 1.01 -1.25 -5.16 120.40 116.08 2jtg s VAL 85 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2jtg s VAL 85 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.24 2jtg s VAL 85 CO 0.00 0.04 0.00 -2.65 0.00 0.00 0.00 175.10 172.49 2jtg n PRO 86 N 3.55 1.55 0.00 2.72 -0.02 -1.26 -4.87 135.00 136.66 2jtg n PRO 86 Ca -0.19 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.45 2jtg n PRO 86 Cb 0.56 0.00 0.85 0.00 -0.02 0.00 0.00 33.50 34.89 2jtg n PRO 86 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02