#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 1.87 -3.65 1.12 0.31 -1.26 -4.91 118.33 111.81 2jtg n VAL 2 Ca 0.00 -1.90 -0.03 0.00 -0.01 0.00 0.00 64.34 62.40 2jtg n VAL 2 Cb 0.00 -0.11 -0.07 0.00 -0.91 0.00 0.00 33.84 32.75 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 -2.51 0.15 0.45 5.55 2.00 -1.26 -4.59 119.66 119.45 2jtg s GLN 3 Ca 0.31 0.20 0.05 0.00 -2.00 0.00 0.00 55.36 53.93 2jtg s GLN 3 Cb 0.26 0.06 0.02 0.00 0.80 0.00 0.00 33.01 34.15 2jtg s GLN 3 CO 0.06 -0.02 0.63 -1.54 -0.50 0.00 0.00 175.29 173.92 2jtg s SER 4 N 0.35 5.57 0.27 6.67 1.04 -1.26 -4.50 113.70 121.85 2jtg s SER 4 Ca 0.03 -0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.20 2jtg s SER 4 Cb -0.04 -0.81 -0.02 0.00 0.10 0.00 0.00 66.02 65.24 2jtg s SER 4 CO -0.13 -0.85 0.28 0.00 0.98 0.00 0.00 173.24 173.52 2jtg h SER 6 N 2.34 0.44 -0.46 0.00 0.87 -1.55 -3.45 113.55 111.75 2jtg h SER 6 Ca -0.30 -0.69 -0.79 0.00 -1.23 0.00 0.00 61.79 58.78 2jtg h SER 6 Cb 1.24 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2jtg h SER 6 CO 0.43 1.06 0.98 0.00 -0.53 0.00 0.00 176.83 178.78 2jtg n ALA 7 N -2.53 -0.51 -1.64 6.23 0.00 -1.26 -4.75 120.51 116.05 2jtg n ALA 7 Ca -0.09 0.32 -0.50 0.00 0.00 0.00 0.00 53.44 53.17 2jtg n ALA 7 Cb 0.55 -1.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.02 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 5.63 1.89 -3.92 0.00 9.36 -1.26 -1.78 117.16 127.07 2jtg n TYR 8 Ca 0.42 0.45 -0.26 0.00 3.32 0.00 0.00 57.90 61.83 2jtg n TYR 8 Cb -0.05 -2.44 -0.01 0.00 -0.63 0.00 0.00 39.34 36.21 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 3.17 -0.28 3.81 2.98 0.00 -1.26 -4.94 105.19 108.67 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 -3.07 2.33 -1.03 0.00 3.00 -1.26 -5.04 118.16 113.10 2jtg n LYS 11 Ca 0.08 -3.00 -0.31 0.00 -0.00 0.00 0.00 58.31 55.09 2jtg n LYS 11 Cb 0.53 -1.83 0.13 0.00 0.00 0.00 0.00 35.03 33.87 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 -2.24 3.66 -0.30 3.14 2.20 -1.26 -5.00 114.94 115.14 2jtg s ASN 12 Ca 0.43 1.89 -0.07 0.00 -0.94 0.00 0.00 52.86 54.16 2jtg s ASN 12 Cb 0.37 -2.48 0.17 0.00 -2.00 0.00 0.00 41.25 37.32 2jtg s ASN 12 CO 0.04 -2.58 0.78 0.00 -2.94 0.00 0.00 177.10 172.41 2jtg s ARG 13 N -4.80 0.43 -1.26 3.55 1.70 -1.26 -4.40 118.95 112.91 2jtg s ARG 13 Ca 0.64 0.85 -0.19 0.00 -0.47 0.00 0.00 55.73 56.55 2jtg s ARG 13 Cb -0.19 0.49 0.03 0.00 -0.57 0.00 0.00 34.95 34.70 2jtg s ARG 13 CO 0.57 -0.38 1.77 -0.47 -1.08 0.00 0.00 175.30 175.72 2jtg s TYR 14 N 2.83 2.57 0.17 5.89 5.04 -1.26 -4.68 117.35 127.92 2jtg s TYR 14 Ca 0.08 -1.10 0.07 0.00 -2.44 0.00 0.00 57.07 53.68 2jtg s TYR 14 Cb -0.12 -4.58 -0.04 0.00 0.35 0.00 0.00 41.96 37.57 2jtg s TYR 14 CO -0.18 -1.68 -0.00 0.34 -1.34 0.00 0.00 175.55 172.69 2jtg s ASP 15 N 4.81 4.78 0.54 4.32 -1.08 -1.25 -4.44 116.67 124.35 2jtg s ASP 15 Ca 0.57 -0.38 0.21 0.00 -0.52 0.00 0.00 52.55 52.43 2jtg s ASP 15 Cb 0.03 -1.03 1.40 0.00 -1.46 0.00 0.00 42.92 41.86 2jtg s ASP 15 CO 0.08 0.09 2.11 0.50 0.52 0.00 0.00 175.17 178.47 2jtg h LYS 16 N 2.75 0.00 0.00 4.34 3.64 -2.00 -2.82 116.57 122.48 2jtg h LYS 16 Ca -0.47 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 2jtg h LYS 16 Cb 1.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2jtg h LYS 16 CO 0.58 0.00 -0.29 -0.44 -2.27 0.00 0.00 179.45 177.03 2jtg h ASP 17 N 0.00 0.00 -2.44 4.20 5.19 -1.96 -3.44 116.42 117.97 2jtg h ASP 17 Ca 0.08 -0.38 -0.58 0.00 -0.62 0.00 0.00 57.03 55.54 2jtg h ASP 17 Cb 0.36 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 2jtg h ASP 17 CO -0.00 0.85 1.35 -0.75 -3.12 0.00 0.00 179.24 177.57 2jtg s LYS 18 N -2.01 3.24 0.00 3.56 2.47 -1.06 -4.85 119.74 121.09 2jtg s LYS 18 Ca -0.13 1.59 0.00 0.00 -1.56 0.00 0.00 55.97 55.87 2jtg s LYS 18 Cb 0.00 -4.26 0.00 0.00 -1.46 0.00 0.00 37.83 32.12 2jtg s LYS 18 CO 0.34 -1.97 1.20 -0.35 0.16 0.00 0.00 175.35 174.74 2jtg n PRO 19 N 8.55 0.73 -2.71 4.03 -0.04 -1.26 -3.95 135.00 140.34 2jtg n PRO 19 Ca 0.25 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 2jtg n PRO 19 Cb 0.46 -1.14 -0.04 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.45 4.43 0.30 0.52 0.11 -1.26 -5.06 120.40 119.89 2jtg s VAL 20 Ca 0.00 2.04 0.09 0.00 -2.93 0.00 0.00 61.98 61.18 2jtg s VAL 20 Cb 0.00 -4.30 -0.04 0.00 -1.53 0.00 0.00 36.38 30.50 2jtg s VAL 20 CO 0.00 0.33 0.05 -0.94 -3.33 0.00 0.00 175.10 171.21 2jtg s SER 21 N -0.09 4.55 0.03 3.54 1.04 -1.26 -4.82 113.70 116.68 2jtg s SER 21 Ca 0.47 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 56.20 2jtg s SER 21 Cb -0.24 -0.76 -0.02 0.00 0.10 0.00 0.00 66.02 65.10 2jtg s SER 21 CO 0.30 -0.14 -0.12 -0.36 0.98 0.00 0.00 173.24 173.90 2jtg s PHE 22 N -2.39 1.02 0.09 5.02 0.40 -1.26 -0.79 117.98 120.07 2jtg s PHE 22 Ca 0.34 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.36 2jtg s PHE 22 Cb -0.04 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 42.85 2jtg s PHE 22 CO 0.21 0.01 -0.10 -1.01 0.70 0.00 0.00 175.22 175.03 2jtg s HIS 23 N -0.87 1.04 0.06 0.36 3.76 0.22 -4.83 115.29 115.03 2jtg s HIS 23 Ca -0.01 -0.66 0.01 0.00 -0.15 0.00 0.00 55.06 54.26 2jtg s HIS 23 Cb -0.08 -0.57 -0.04 0.00 1.11 0.00 0.00 32.58 33.00 2jtg s HIS 23 CO 0.01 -0.01 0.14 0.15 -0.85 0.00 0.00 174.74 174.18 2jtg s LYS 24 N -2.77 3.16 -0.20 1.40 3.01 -1.26 0.14 119.74 123.22 2jtg s LYS 24 Ca 0.05 -0.55 -0.35 0.00 -1.01 0.00 0.00 55.97 54.11 2jtg s LYS 24 Cb -0.03 -2.89 -0.12 0.00 -1.01 0.00 0.00 37.83 33.79 2jtg s LYS 24 CO -0.00 0.60 1.97 1.19 0.51 0.00 0.00 175.35 179.61 2jtg n PHE 25 N 0.47 2.07 -2.78 3.18 3.01 -0.28 -4.79 117.46 118.34 2jtg n PHE 25 Ca -0.08 0.14 -0.28 0.00 1.01 0.00 0.00 57.45 58.25 2jtg n PHE 25 Cb 0.51 -2.60 -0.01 0.00 -0.01 0.00 0.00 39.48 37.37 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 4.74 3.61 -0.03 -1.08 0.04 -1.26 -4.95 135.00 136.07 2jtg s PRO 26 Ca 0.99 0.24 0.12 0.00 0.04 0.00 0.00 61.00 62.39 2jtg s PRO 26 Cb -0.77 -2.41 -0.18 0.00 0.04 0.00 0.00 34.50 31.18 2jtg s PRO 26 CO 0.52 -0.11 0.24 1.28 0.04 0.00 0.00 177.00 178.97 2jtg n LEU 27 N -1.87 0.00 0.09 -3.56 4.77 -1.26 -4.46 117.00 110.71 2jtg n LEU 27 Ca 0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 2jtg n LEU 27 Cb 0.55 0.03 0.38 0.00 -2.33 0.00 0.00 43.42 42.05 2jtg n LEU 27 CO 0.51 0.03 0.92 0.74 -1.33 0.00 0.00 177.39 178.26 2jtg h THR 28 N 0.00 1.17 -3.48 -5.08 2.02 -2.01 -3.34 112.91 102.19 2jtg h THR 28 Ca -0.03 -0.73 -0.73 0.00 0.77 0.00 0.00 66.41 65.69 2jtg h THR 28 Cb 0.69 1.11 -0.31 0.00 -1.74 0.00 0.00 68.15 67.90 2jtg h THR 28 CO 0.00 0.23 -0.30 -0.60 0.37 0.00 0.00 175.52 175.22 2jtg s ARG 29 N -4.83 2.69 0.00 6.66 3.00 -1.26 -4.97 118.95 120.24 2jtg s ARG 29 Ca -0.06 -2.13 0.00 0.00 -1.00 0.00 0.00 55.73 52.54 2jtg s ARG 29 Cb 0.16 -3.94 0.00 0.00 0.00 0.00 0.00 34.95 31.16 2jtg s ARG 29 CO 0.74 -1.20 0.00 -0.35 0.00 0.00 0.00 175.30 174.49 2jtg n PRO 30 N 4.29 0.00 -0.09 5.12 -0.04 -1.26 -3.17 135.00 139.86 2jtg n PRO 30 Ca 0.01 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2jtg n PRO 30 Cb 0.41 -0.61 -0.01 0.00 -0.04 0.00 0.00 33.50 33.25 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 -0.83 -0.59 3.54 4.64 -1.95 0.80 113.55 119.15 2jtg h SER 31 Ca 0.00 0.16 0.05 0.00 -0.47 0.00 0.00 61.79 61.53 2jtg h SER 31 Cb 0.00 0.40 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 2jtg h SER 31 CO 0.00 -0.28 0.39 0.25 -0.87 0.00 0.00 176.83 176.32 2jtg h LEU 32 N -0.22 0.55 -1.79 5.97 5.85 -1.98 -0.69 115.31 123.00 2jtg h LEU 32 Ca 0.16 -0.00 0.24 0.00 0.84 0.00 0.00 57.88 59.12 2jtg h LEU 32 Cb 0.48 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2jtg h LEU 32 CO -0.46 0.37 0.62 0.00 -0.34 0.00 0.00 178.44 178.63 2jtg h LYS 34 N 0.17 0.53 -0.97 0.00 3.64 -0.51 0.85 116.57 120.27 2jtg h LYS 34 Ca 0.45 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.84 2jtg h LYS 34 Cb 1.48 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.12 2jtg h LYS 34 CO -0.08 0.35 0.63 0.93 -2.27 0.00 0.00 179.45 179.01 2jtg h GLU 35 N 0.55 1.16 -0.25 1.90 5.08 0.11 0.50 114.58 123.61 2jtg h GLU 35 Ca 0.51 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.84 2jtg h GLU 35 Cb 1.06 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2jtg h GLU 35 CO -0.24 0.76 0.17 -1.49 -1.00 0.00 0.00 179.01 177.21 2jtg h TRP 36 N 1.19 0.15 -0.92 4.33 4.06 0.68 0.12 115.95 125.56 2jtg h TRP 36 Ca 0.40 0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.45 2jtg h TRP 36 Cb 0.07 -0.05 -0.07 0.00 -1.00 0.00 0.00 29.16 28.12 2jtg h TRP 36 CO -0.01 0.09 0.59 0.93 -3.56 0.00 0.00 178.44 176.49 2jtg h GLU 37 N 0.16 0.92 -0.36 0.49 5.08 -0.58 0.38 114.58 120.66 2jtg h GLU 37 Ca 0.11 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2jtg h GLU 37 Cb 0.24 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2jtg h GLU 37 CO -0.02 0.61 0.14 0.00 -1.00 0.00 0.00 179.01 178.74 2jtg h ALA 38 N 1.54 1.57 -0.34 3.43 0.00 -0.76 0.58 119.26 125.27 2jtg h ALA 38 Ca 0.43 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.33 2jtg h ALA 38 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jtg h ALA 38 CO -0.19 0.34 0.33 0.00 0.00 0.00 0.00 179.25 179.74 2jtg h ALA 39 N 1.65 2.07 0.00 0.00 0.00 -0.12 -3.21 119.26 119.65 2jtg h ALA 39 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jtg h ALA 39 Cb 0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jtg h ALA 39 CO -0.01 -0.51 -0.63 0.28 0.00 0.00 0.00 179.25 178.38 2jtg n VAL 40 N -3.89 0.97 -0.98 0.00 0.31 -0.09 -4.22 118.33 110.43 2jtg n VAL 40 Ca 0.05 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 2jtg n VAL 40 Cb 0.50 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 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 -3.75 -1.16 -2.29 5.55 0.00 0.00 -4.50 116.66 110.51 2jtg n ARG 41 Ca -0.09 0.29 -0.25 0.00 -0.00 0.00 0.00 57.85 57.80 2jtg n ARG 41 Cb 0.33 -4.21 0.06 0.00 0.00 0.00 0.00 32.46 28.63 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 -1.20 2.39 0.11 -0.14 6.06 -1.26 -4.97 118.95 119.93 2jtg s ARG 42 Ca 0.00 -0.26 -0.20 0.00 -2.50 0.00 0.00 55.73 52.77 2jtg s ARG 42 Cb 0.00 -2.23 -0.04 0.00 0.06 0.00 0.00 34.95 32.74 2jtg s ARG 42 CO 0.00 -1.07 1.02 1.17 -2.50 0.00 0.00 175.30 173.92 2jtg n LYS 43 N -2.78 -0.29 -2.73 5.12 4.81 -1.26 -4.17 118.16 116.86 2jtg n LYS 43 Ca 0.07 1.00 -0.04 0.00 -0.87 0.00 0.00 58.31 58.47 2jtg n LYS 43 Cb 0.60 -1.47 0.03 0.00 0.02 0.00 0.00 35.03 34.20 2jtg n LYS 43 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jtg n ASN 44 N -4.83 -2.78 -1.80 3.14 3.02 -1.26 -5.08 115.26 105.66 2jtg n ASN 44 Ca 0.02 -2.43 -0.06 0.00 -0.03 0.00 0.00 54.58 52.07 2jtg n ASN 44 Cb 0.18 1.46 -0.07 0.00 -0.61 0.00 0.00 39.78 40.74 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 2.59 0.00 -2.19 3.10 -1.74 -1.26 -4.76 117.46 113.19 2jtg n PHE 45 Ca 0.14 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.60 2jtg n PHE 45 Cb 0.60 -0.21 -0.02 0.00 1.52 0.00 0.00 39.48 41.37 2jtg n PHE 45 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 2jtg s LYS 46 N 2.65 3.75 0.00 3.97 2.20 -1.26 -4.81 119.74 126.24 2jtg s LYS 46 Ca 0.38 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.46 2jtg s LYS 46 Cb -0.24 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.06 2jtg s LYS 46 CO 0.16 -1.35 0.36 -2.30 -0.36 0.00 0.00 175.35 171.86 2jtg n PRO 47 N 7.72 0.00 0.44 4.03 -0.02 -1.26 -2.25 135.00 143.66 2jtg n PRO 47 Ca 0.18 0.01 -0.18 0.00 -2.02 0.00 0.00 63.50 61.49 2jtg n PRO 47 Cb 0.46 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.35 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 0.00 0.00 3.45 1.03 -1.96 -3.34 112.91 112.09 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 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.09 2jtg h THR 48 CO 0.00 0.00 -0.30 2.29 -0.01 0.00 0.00 175.52 177.50 2jtg n LYS 49 N -5.15 3.28 0.15 0.00 0.00 -1.21 -4.74 118.16 110.49 2jtg n LYS 49 Ca -0.14 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.27 2jtg n LYS 49 Cb 0.46 -0.55 0.07 0.00 -0.00 0.00 0.00 35.03 35.01 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 -1.67 -3.42 116.97 117.50 2jtg h TYR 50 Ca 0.00 0.00 -0.40 0.00 0.05 0.00 0.00 58.73 58.38 2jtg h TYR 50 Cb 0.00 0.00 0.10 0.00 1.01 0.00 0.00 36.73 37.84 2jtg h TYR 50 CO 0.00 0.10 1.19 0.43 -1.05 0.00 0.00 178.16 178.83 2jtg n SER 51 N -2.94 0.61 -3.62 3.88 7.64 -1.23 -4.22 113.62 113.74 2jtg n SER 51 Ca 0.01 -2.20 -0.04 0.00 1.01 0.00 0.00 58.87 57.65 2jtg n SER 51 Cb 0.58 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 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 6.13 -0.12 0.08 6.43 1.04 -1.26 -1.12 113.70 124.89 2jtg s SER 52 Ca 0.47 0.08 0.03 0.00 0.48 0.00 0.00 55.95 57.00 2jtg s SER 52 Cb 0.10 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 2jtg s SER 52 CO 0.24 -0.15 -0.08 -0.63 0.98 0.00 0.00 173.24 173.60 2jtg s ILE 53 N -1.60 0.77 0.17 -1.02 -1.09 0.38 -1.88 121.20 116.92 2jtg s ILE 53 Ca 0.08 -1.60 0.07 0.00 -2.23 0.00 0.00 60.65 56.96 2jtg s ILE 53 Cb -0.01 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.55 2jtg s ILE 53 CO -0.05 -0.61 0.04 0.00 -1.23 0.00 0.00 174.94 173.08 2jtg h SER 55 N 2.66 0.54 -1.34 0.00 4.64 -1.34 -2.93 113.55 115.79 2jtg h SER 55 Ca -0.47 0.01 0.39 0.00 -0.47 0.00 0.00 61.79 61.24 2jtg h SER 55 Cb 1.20 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 2jtg h SER 55 CO 0.60 0.34 1.28 -0.33 -0.87 0.00 0.00 176.83 177.84 2jtg h GLU 56 N 0.61 0.00 0.00 4.77 5.08 -1.96 0.81 114.58 123.90 2jtg h GLU 56 Ca 0.31 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.50 2jtg h GLU 56 Cb 0.41 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2jtg h GLU 56 CO -0.10 0.00 -2.13 0.72 -1.00 0.00 0.00 179.01 176.49 2jtg n HIS 57 N -3.48 0.06 -1.75 4.33 8.25 -1.11 -4.98 115.22 116.54 2jtg n HIS 57 Ca 0.30 0.02 -0.31 0.00 -0.26 0.00 0.00 57.72 57.47 2jtg n HIS 57 Cb 1.68 -0.75 0.04 0.00 1.12 0.00 0.00 29.99 32.08 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 -3.04 3.29 0.17 4.41 0.08 0.28 -3.37 117.98 119.80 2jtg s PHE 58 Ca -0.09 1.24 -0.18 0.00 0.12 0.00 0.00 56.93 58.02 2jtg s PHE 58 Cb 0.10 -2.91 -0.07 0.00 -0.57 0.00 0.00 43.02 39.56 2jtg s PHE 58 CO 0.87 -1.13 0.64 0.95 -0.10 0.00 0.00 175.22 176.45 2jtg s THR 59 N -3.19 4.69 0.36 0.64 -4.23 -1.25 -4.97 115.64 107.69 2jtg s THR 59 Ca 0.57 1.14 0.12 0.00 -1.18 0.00 0.00 61.69 62.35 2jtg s THR 59 Cb -0.12 -3.84 0.35 0.00 1.34 0.00 0.00 72.50 70.22 2jtg s THR 59 CO 0.54 0.30 1.80 -0.65 -0.54 0.00 0.00 174.62 176.07 2jtg h PRO 60 N 3.73 0.55 0.00 3.99 0.11 -1.96 0.23 132.00 138.65 2jtg h PRO 60 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2jtg h PRO 60 Cb 1.20 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jtg h PRO 60 CO 0.65 0.37 -0.08 0.22 -0.21 0.00 0.00 178.00 178.94 2jtg h ASP 61 N 0.57 0.00 0.19 -2.05 1.82 -2.03 -1.65 116.42 113.27 2jtg h ASP 61 Ca 0.55 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 2jtg h ASP 61 Cb 1.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.13 2jtg h ASP 61 CO -0.30 0.08 0.00 0.00 -1.61 0.00 0.00 179.24 177.42 2jtg n PHE 63 N -1.11 2.27 0.15 0.00 3.72 -0.62 -4.22 117.46 117.65 2jtg n PHE 63 Ca 0.18 -1.77 0.05 0.00 -0.05 0.00 0.00 57.45 55.86 2jtg n PHE 63 Cb 0.14 -0.77 0.52 0.00 -0.94 0.00 0.00 39.48 38.43 2jtg n PHE 63 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2jtg h LYS 64 N 1.02 0.22 -6.48 -1.08 2.10 -1.74 -3.41 116.57 107.20 2jtg h LYS 64 Ca 0.47 -0.02 -0.53 0.00 -2.00 0.00 0.00 60.65 58.57 2jtg h LYS 64 Cb 2.35 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 33.62 2jtg h LYS 64 CO 0.82 0.20 0.41 0.50 -2.00 0.00 0.00 179.45 179.37 2jtg s ARG 65 N -5.12 4.57 -0.65 0.07 6.06 -1.26 -4.95 118.95 117.67 2jtg s ARG 65 Ca -0.06 1.51 -0.02 0.00 -2.50 0.00 0.00 55.73 54.66 2jtg s ARG 65 Cb 0.17 -3.41 0.46 0.00 0.06 0.00 0.00 34.95 32.23 2jtg s ARG 65 CO 0.70 -0.01 2.03 0.39 -2.50 0.00 0.00 175.30 175.91 2jtg n GLU 66 N 3.53 2.66 -0.87 5.12 1.02 -1.26 -4.83 120.64 126.01 2jtg n GLU 66 Ca 0.05 -3.26 -0.27 0.00 -0.02 0.00 0.00 57.16 53.66 2jtg n GLU 66 Cb 0.49 -2.28 0.23 0.00 -0.02 0.00 0.00 31.44 29.86 2jtg n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jtg h ASN 68 N -2.62 -0.71 -0.01 0.00 -0.00 -2.05 -3.42 115.58 106.78 2jtg h ASN 68 Ca -0.37 0.02 -0.15 0.00 -0.00 0.00 0.00 56.30 55.81 2jtg h ASN 68 Cb 1.12 0.18 -0.24 0.00 -0.00 0.00 0.00 38.32 39.39 2jtg h ASN 68 CO 0.24 -0.39 -0.61 0.59 -0.00 0.00 0.00 177.43 177.26 2jtg n ASN 69 N -4.88 -0.16 -3.69 1.15 5.03 -1.26 -5.02 115.26 106.43 2jtg n ASN 69 Ca -0.10 -2.01 -0.28 0.00 0.87 0.00 0.00 54.58 53.06 2jtg n ASN 69 Cb 0.33 0.05 -0.12 0.00 -1.02 0.00 0.00 39.78 39.02 2jtg n ASN 69 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2jtg s LYS 70 N -0.07 1.58 -0.41 3.52 2.20 -1.26 -4.72 119.74 120.58 2jtg s LYS 70 Ca 0.14 -2.48 0.02 0.00 -0.36 0.00 0.00 55.97 53.29 2jtg s LYS 70 Cb 0.17 -2.46 0.12 0.00 -1.51 0.00 0.00 37.83 34.16 2jtg s LYS 70 CO -0.07 -1.26 0.18 -0.51 -0.36 0.00 0.00 175.35 173.32 2jtg s LEU 71 N -0.33 3.39 -0.40 5.43 1.43 -1.26 -4.65 118.68 122.29 2jtg s LEU 71 Ca 0.24 -2.43 0.06 0.00 -1.03 0.00 0.00 54.13 50.97 2jtg s LEU 71 Cb -0.10 -1.26 0.31 0.00 0.03 0.00 0.00 46.19 45.16 2jtg s LEU 71 CO -0.11 -0.31 1.23 0.00 0.23 0.00 0.00 176.35 177.40 2jtg n LEU 72 N 3.84 -1.85 -4.10 1.79 -0.00 -1.26 -4.79 117.00 110.63 2jtg n LEU 72 Ca 0.05 -3.04 -0.22 0.00 -0.00 0.00 0.00 56.01 52.79 2jtg n LEU 72 Cb 0.37 0.65 0.18 0.00 -0.00 0.00 0.00 43.42 44.62 2jtg n LEU 72 CO 0.24 1.81 0.03 0.29 -0.00 0.00 0.00 177.39 179.75 2jtg n LYS 73 N -0.04 -2.72 -0.27 1.47 4.76 -1.26 -4.43 118.16 115.66 2jtg n LYS 73 Ca -0.04 -0.80 0.33 0.00 -2.87 0.00 0.00 58.31 54.93 2jtg n LYS 73 Cb 0.75 -1.61 0.73 0.00 -1.84 0.00 0.00 35.03 33.06 2jtg n LYS 73 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2jtg h GLU 74 N -2.81 0.00 -0.44 1.97 4.39 -2.01 0.67 114.58 116.36 2jtg h GLU 74 Ca -0.32 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.24 2jtg h GLU 74 Cb 0.97 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2jtg h GLU 74 CO 0.21 0.00 -0.28 -0.91 -1.16 0.00 0.00 179.01 176.87 2jtg h ASN 75 N 0.00 1.01 -0.48 1.42 2.35 -1.97 -3.46 115.58 114.45 2jtg h ASN 75 Ca 0.52 -0.42 -0.33 0.00 -0.55 0.00 0.00 56.30 55.51 2jtg h ASN 75 Cb 2.19 -0.28 0.05 0.00 0.05 0.00 0.00 38.32 40.33 2jtg h ASN 75 CO -0.01 1.21 -0.19 0.00 -1.65 0.00 0.00 177.43 176.80 2jtg n ALA 76 N -2.53 -1.92 -3.64 -0.83 0.00 0.23 -4.99 120.51 106.84 2jtg n ALA 76 Ca -0.01 0.23 -0.06 0.00 0.00 0.00 0.00 53.44 53.59 2jtg n ALA 76 Cb 0.49 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.36 0.00 -0.14 0.00 1.01 -1.26 -4.97 120.40 114.68 2jtg s VAL 77 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2jtg s VAL 77 Cb -0.48 -1.00 0.15 0.00 0.00 0.00 0.00 36.38 35.05 2jtg s VAL 77 CO 0.27 0.00 1.56 -0.81 0.00 0.00 0.00 175.10 176.12 2jtg n PRO 78 N 1.88 1.36 0.00 2.72 -0.04 -1.26 -3.94 135.00 135.72 2jtg n PRO 78 Ca -0.11 -0.79 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 0.42 0.00 -0.67 0.52 -2.24 -1.24 -0.09 114.28 110.97 2jtg n THR 79 Ca 0.16 0.00 0.52 0.00 -2.27 0.00 0.00 64.05 62.45 2jtg n THR 79 Cb 0.69 0.00 0.82 0.00 -2.10 0.00 0.00 70.33 69.74 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 0.04 -0.25 2.28 2.04 -1.87 1.71 117.51 121.46 2jtg h ILE 80 Ca 0.00 -0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 2jtg h ILE 80 Cb 0.00 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.07 2jtg h ILE 80 CO 0.00 0.00 -0.08 0.49 0.00 0.00 0.00 178.15 178.56 2jtg n PHE 81 N -3.98 0.81 -1.62 1.37 3.01 0.87 -4.97 117.46 112.95 2jtg n PHE 81 Ca 0.43 -1.30 -0.15 0.00 1.01 0.00 0.00 57.45 57.44 2jtg n PHE 81 Cb 1.95 -0.37 -0.07 0.00 -0.01 0.00 0.00 39.48 40.97 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 -3.08 2.87 0.48 4.37 2.96 0.58 -4.48 118.68 122.38 2jtg s LEU 82 Ca 0.42 -0.06 0.15 0.00 -0.22 0.00 0.00 54.13 54.42 2jtg s LEU 82 Cb 0.37 -2.55 1.11 0.00 0.50 0.00 0.00 46.19 45.62 2jtg s LEU 82 CO 0.02 -3.82 2.05 -0.33 -1.32 0.00 0.00 176.35 172.95 2jtg h GLU 83 N 12.50 0.00 -5.14 1.98 4.39 -1.91 -3.42 114.58 122.98 2jtg h GLU 83 Ca 0.01 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.26 2jtg h GLU 83 Cb 1.00 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.58 2jtg h GLU 83 CO 1.02 0.12 1.69 1.28 -1.16 0.00 0.00 179.01 181.96 2jtg n LEU 84 N -4.38 0.51 -4.08 1.33 4.77 -1.26 -4.86 117.00 109.03 2jtg n LEU 84 Ca -0.03 -0.14 -0.09 0.00 -0.03 0.00 0.00 56.01 55.72 2jtg n LEU 84 Cb 0.19 -1.03 -0.09 0.00 -2.33 0.00 0.00 43.42 40.16 2jtg n LEU 84 CO 0.35 -1.09 -0.24 0.68 -1.33 0.00 0.00 177.39 175.77 2jtg s VAL 85 N 8.63 0.12 -0.86 4.08 -7.23 -1.26 -5.07 120.40 118.80 2jtg s VAL 85 Ca 1.26 -1.74 -0.23 0.00 -1.81 0.00 0.00 61.98 59.46 2jtg s VAL 85 Cb -0.93 -1.88 -0.19 0.00 0.56 0.00 0.00 36.38 33.94 2jtg s VAL 85 CO 0.44 -0.52 2.18 -2.65 -0.31 0.00 0.00 175.10 174.23 2jtg n PRO 86 N -0.09 0.29 0.00 4.82 -0.02 -1.26 -5.30 135.00 133.45 2jtg n PRO 86 Ca -0.08 -1.04 0.00 0.00 -2.02 0.00 0.00 63.50 60.37 2jtg n PRO 86 Cb 0.63 -3.36 0.00 0.00 -0.02 0.00 0.00 33.50 30.75 2jtg n PRO 86 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02