#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 1.79 -3.64 2.03 3.14 -1.26 -4.95 118.33 115.44 2jtg n VAL 2 Ca 0.00 -1.83 -0.08 0.00 -2.96 0.00 0.00 64.34 59.47 2jtg n VAL 2 Cb 0.00 -0.06 -0.07 0.00 -1.06 0.00 0.00 33.84 32.65 2jtg n VAL 2 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2jtg s GLN 3 N -2.39 0.43 0.47 1.45 2.00 -1.26 -4.77 119.66 115.60 2jtg s GLN 3 Ca 0.29 0.53 0.03 0.00 -2.00 0.00 0.00 55.36 54.21 2jtg s GLN 3 Cb 0.24 0.20 0.01 0.00 0.80 0.00 0.00 33.01 34.26 2jtg s GLN 3 CO 0.06 -0.05 0.67 -1.54 -0.50 0.00 0.00 175.29 173.92 2jtg s SER 4 N 0.29 5.58 0.27 6.67 1.04 -1.26 -4.49 113.70 121.81 2jtg s SER 4 Ca 0.03 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.44 2jtg s SER 4 Cb -0.05 -1.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.98 2jtg s SER 4 CO -0.08 -0.86 0.13 0.00 0.98 0.00 0.00 173.24 173.40 2jtg h SER 6 N 2.34 0.44 -1.17 0.00 0.87 -1.59 -3.45 113.55 110.99 2jtg h SER 6 Ca -0.36 -0.55 -0.81 0.00 -1.23 0.00 0.00 61.79 58.84 2jtg h SER 6 Cb 1.25 -0.13 0.02 0.00 -0.44 0.00 0.00 62.40 63.11 2jtg h SER 6 CO 0.56 0.91 0.56 0.00 -0.53 0.00 0.00 176.83 178.32 2jtg n ALA 7 N -2.47 -1.65 -1.82 6.23 0.00 -1.26 -4.82 120.51 114.73 2jtg n ALA 7 Ca -0.07 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 2jtg n ALA 7 Cb 0.44 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 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 2.15 2.98 -1.37 0.00 5.04 -1.26 -2.83 117.35 122.06 2jtg s TYR 8 Ca 0.98 0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 56.06 2jtg s TYR 8 Cb -1.31 -4.05 0.01 0.00 0.35 0.00 0.00 41.96 36.97 2jtg s TYR 8 CO 0.69 -3.92 0.64 0.41 -1.34 0.00 0.00 175.55 172.04 2jtg n GLY 9 N 3.88 -0.29 3.87 8.97 0.00 -1.26 -4.96 105.19 115.39 2jtg n GLY 9 Ca 0.15 0.14 -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 -2.76 3.41 -0.62 0.00 3.00 -1.26 -5.03 118.16 114.90 2jtg n LYS 11 Ca 0.06 -2.94 -0.30 0.00 -0.00 0.00 0.00 58.31 55.13 2jtg n LYS 11 Cb 0.54 -1.96 0.19 0.00 0.00 0.00 0.00 35.03 33.81 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 -0.24 -0.84 -3.27 3.14 6.94 -1.26 -4.94 115.26 114.79 2jtg n ASN 12 Ca 0.23 0.17 0.03 0.00 -0.02 0.00 0.00 54.58 55.00 2jtg n ASN 12 Cb 0.98 -1.34 -0.03 0.00 -2.36 0.00 0.00 39.78 37.04 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 -4.36 0.28 -1.20 -3.83 1.70 -1.26 -4.27 118.95 106.01 2jtg s ARG 13 Ca 0.66 0.61 -0.20 0.00 -0.47 0.00 0.00 55.73 56.32 2jtg s ARG 13 Cb -0.23 0.35 0.04 0.00 -0.57 0.00 0.00 34.95 34.54 2jtg s ARG 13 CO 0.62 -0.21 1.71 -0.47 -1.08 0.00 0.00 175.30 175.87 2jtg s TYR 14 N 2.69 2.56 0.27 5.89 6.14 -1.26 -4.68 117.35 128.97 2jtg s TYR 14 Ca 0.01 -1.05 0.11 0.00 0.64 0.00 0.00 57.07 56.78 2jtg s TYR 14 Cb -0.09 -4.61 -0.05 0.00 0.42 0.00 0.00 41.96 37.64 2jtg s TYR 14 CO -0.15 -1.76 -0.10 0.34 0.64 0.00 0.00 175.55 174.52 2jtg s ASP 15 N 4.90 4.10 0.44 4.32 2.15 -1.26 -4.67 116.67 126.66 2jtg s ASP 15 Ca 0.55 -0.82 0.15 0.00 0.43 0.00 0.00 52.55 52.86 2jtg s ASP 15 Cb 0.02 -0.59 1.01 0.00 -0.30 0.00 0.00 42.92 43.05 2jtg s ASP 15 CO 0.04 0.02 1.98 0.50 -0.17 0.00 0.00 175.17 177.54 2jtg h LYS 16 N 2.07 0.00 0.00 4.34 3.11 -2.02 -3.17 116.57 120.91 2jtg h LYS 16 Ca -0.42 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.39 2jtg h LYS 16 Cb 1.25 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.48 2jtg h LYS 16 CO 0.60 0.20 -0.25 -0.44 -2.81 0.00 0.00 179.45 176.75 2jtg h ASP 17 N 0.00 0.00 -2.38 4.20 3.32 -1.96 -3.44 116.42 116.16 2jtg h ASP 17 Ca -0.00 -0.36 -0.58 0.00 0.02 0.00 0.00 57.03 56.11 2jtg h ASP 17 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2jtg h ASP 17 CO 0.03 0.82 1.37 -0.75 -1.72 0.00 0.00 179.24 178.99 2jtg s LYS 18 N -1.97 3.22 0.00 3.56 2.47 -1.20 -4.84 119.74 120.98 2jtg s LYS 18 Ca -0.12 1.65 0.00 0.00 -1.56 0.00 0.00 55.97 55.95 2jtg s LYS 18 Cb 0.00 -4.28 0.00 0.00 -1.46 0.00 0.00 37.83 32.10 2jtg s LYS 18 CO 0.32 -1.99 0.69 -0.35 0.16 0.00 0.00 175.35 174.18 2jtg n PRO 19 N 8.58 0.77 -2.42 4.03 -0.04 -1.26 -4.07 135.00 140.58 2jtg n PRO 19 Ca 0.26 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.33 2jtg n PRO 19 Cb 0.46 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.00 3.70 0.70 0.52 0.11 -1.26 -5.00 120.40 119.17 2jtg s VAL 20 Ca 0.00 -0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 58.85 2jtg s VAL 20 Cb 0.00 -4.72 0.01 0.00 -1.53 0.00 0.00 36.38 30.13 2jtg s VAL 20 CO 0.00 -1.65 1.08 -0.94 -3.33 0.00 0.00 175.10 170.26 2jtg s SER 21 N 5.25 5.51 0.10 3.54 1.04 -1.26 -4.69 113.70 123.20 2jtg s SER 21 Ca 0.47 1.28 0.08 0.00 0.48 0.00 0.00 55.95 58.26 2jtg s SER 21 Cb -0.06 -2.14 -0.03 0.00 0.10 0.00 0.00 66.02 63.89 2jtg s SER 21 CO 0.06 -1.31 -0.22 -0.36 0.98 0.00 0.00 173.24 172.39 2jtg s PHE 22 N -3.26 1.85 -0.06 5.02 0.40 -1.26 -1.06 117.98 119.61 2jtg s PHE 22 Ca 0.58 -0.41 -0.02 0.00 -0.60 0.00 0.00 56.93 56.47 2jtg s PHE 22 Cb -0.12 -1.02 0.04 0.00 0.51 0.00 0.00 43.02 42.43 2jtg s PHE 22 CO 0.53 0.21 0.11 -1.01 0.70 0.00 0.00 175.22 175.76 2jtg s HIS 23 N -1.12 -0.08 0.72 0.36 3.76 0.78 -4.98 115.29 114.73 2jtg s HIS 23 Ca 0.07 0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 55.29 2jtg s HIS 23 Cb -0.10 -0.29 0.03 0.00 1.11 0.00 0.00 32.58 33.33 2jtg s HIS 23 CO 0.04 -0.20 1.08 0.15 -0.85 0.00 0.00 174.74 174.96 2jtg s LYS 24 N 1.89 2.64 0.10 1.40 1.02 -1.26 0.14 119.74 125.67 2jtg s LYS 24 Ca -0.00 1.13 -0.32 0.00 0.02 0.00 0.00 55.97 56.81 2jtg s LYS 24 Cb -0.12 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 35.13 2jtg s LYS 24 CO -0.05 -1.35 1.83 1.19 -0.92 0.00 0.00 175.35 176.06 2jtg n PHE 25 N -3.12 2.56 -3.20 3.18 3.01 0.18 -4.76 117.46 115.32 2jtg n PHE 25 Ca 0.09 -0.12 -0.31 0.00 1.01 0.00 0.00 57.45 58.12 2jtg n PHE 25 Cb 0.53 -2.72 -0.05 0.00 -0.01 0.00 0.00 39.48 37.24 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 2.81 3.84 -0.09 -1.08 0.04 -1.26 -4.96 135.00 134.30 2jtg s PRO 26 Ca 0.83 0.41 0.18 0.00 0.04 0.00 0.00 61.00 62.46 2jtg s PRO 26 Cb -0.51 -2.52 -0.27 0.00 0.04 0.00 0.00 34.50 31.24 2jtg s PRO 26 CO 0.39 0.18 0.27 1.28 0.04 0.00 0.00 177.00 179.16 2jtg n LEU 27 N -0.57 0.00 0.22 -3.56 4.77 -1.26 -4.31 117.00 112.29 2jtg n LEU 27 Ca 0.02 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.04 2jtg n LEU 27 Cb 0.53 0.18 0.48 0.00 -2.33 0.00 0.00 43.42 42.28 2jtg n LEU 27 CO 0.45 0.18 0.86 0.71 -1.33 0.00 0.00 177.39 178.27 2jtg h THR 28 N 0.00 1.14 -3.52 -5.08 1.35 -2.00 -3.34 112.91 101.46 2jtg h THR 28 Ca -0.20 -0.76 -0.72 0.00 -0.55 0.00 0.00 66.41 64.17 2jtg h THR 28 Cb 1.39 1.41 -0.32 0.00 -1.73 0.00 0.00 68.15 68.90 2jtg h THR 28 CO 0.01 0.22 -0.31 -0.60 -0.25 0.00 0.00 175.52 174.59 2jtg s ARG 29 N -4.53 2.66 0.00 4.72 3.00 -1.26 -4.97 118.95 118.58 2jtg s ARG 29 Ca -0.04 -2.23 0.00 0.00 -1.00 0.00 0.00 55.73 52.46 2jtg s ARG 29 Cb 0.15 -3.89 0.00 0.00 0.00 0.00 0.00 34.95 31.21 2jtg s ARG 29 CO 0.70 -1.19 0.00 -0.35 0.00 0.00 0.00 175.30 174.46 2jtg n PRO 30 N 4.08 0.00 -0.09 5.12 -0.04 -1.26 -3.12 135.00 139.70 2jtg n PRO 30 Ca 0.04 0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 2jtg n PRO 30 Cb 0.41 -0.62 -0.00 0.00 -0.04 0.00 0.00 33.50 33.25 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 -0.44 -0.55 3.54 0.02 -1.95 0.63 113.55 114.80 2jtg h SER 31 Ca 0.00 0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 2jtg h SER 31 Cb 0.00 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 2jtg h SER 31 CO 0.00 -0.16 0.37 0.25 -1.14 0.00 0.00 176.83 176.15 2jtg h LEU 32 N -0.07 0.52 -1.79 5.07 5.85 -1.98 -0.67 115.31 122.25 2jtg h LEU 32 Ca 0.16 -0.00 0.24 0.00 0.84 0.00 0.00 57.88 59.11 2jtg h LEU 32 Cb 0.31 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2jtg h LEU 32 CO -0.37 0.36 0.62 0.00 -0.34 0.00 0.00 178.44 178.71 2jtg h LYS 34 N 0.17 0.56 -1.00 0.00 3.64 -0.66 0.82 116.57 120.09 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 1.49 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.12 2jtg h LYS 34 CO -0.08 0.37 0.65 0.93 -2.27 0.00 0.00 179.45 179.04 2jtg h GLU 35 N 0.58 1.18 -0.13 1.90 5.08 0.04 0.71 114.58 123.94 2jtg h GLU 35 Ca 0.50 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.82 2jtg h GLU 35 Cb 1.01 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2jtg h GLU 35 CO -0.24 0.78 0.09 -1.49 -1.00 0.00 0.00 179.01 177.15 2jtg h TRP 36 N 1.22 0.06 -0.87 4.33 4.06 0.61 0.87 115.95 126.24 2jtg h TRP 36 Ca 0.41 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.44 2jtg h TRP 36 Cb 0.08 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 28.16 2jtg h TRP 36 CO -0.00 0.04 0.57 0.93 -3.56 0.00 0.00 178.44 176.41 2jtg h GLU 37 N 0.07 0.89 -0.26 0.49 5.08 -0.51 0.27 114.58 120.60 2jtg h GLU 37 Ca 0.06 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2jtg h GLU 37 Cb 0.16 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2jtg h GLU 37 CO -0.01 0.59 0.08 0.00 -1.00 0.00 0.00 179.01 178.68 2jtg h ALA 38 N 1.54 1.66 -0.38 3.43 0.00 -0.82 -0.16 119.26 124.53 2jtg h ALA 38 Ca 0.39 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.31 2jtg h ALA 38 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jtg h ALA 38 CO -0.15 0.27 0.37 0.00 0.00 0.00 0.00 179.25 179.73 2jtg h ALA 39 N 1.73 2.11 0.00 0.00 0.00 -0.39 -2.96 119.26 119.75 2jtg h ALA 39 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jtg h ALA 39 Cb 0.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jtg h ALA 39 CO -0.01 -0.56 -0.57 0.28 0.00 0.00 0.00 179.25 178.39 2jtg n VAL 40 N -3.87 1.40 -0.91 0.00 0.31 -0.12 -4.27 118.33 110.85 2jtg n VAL 40 Ca 0.06 0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2jtg n VAL 40 Cb 0.54 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 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 -4.54 -0.91 0.00 5.55 0.00 -0.89 -4.38 116.66 111.47 2jtg n ARG 41 Ca -0.08 0.23 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 2jtg n ARG 41 Cb 0.30 -4.12 0.00 0.00 0.00 0.00 0.00 32.46 28.64 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 -0.90 3.95 -0.26 -0.14 3.00 -1.26 -5.11 116.66 115.95 2jtg n ARG 42 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 2jtg n ARG 42 Cb 0.23 0.00 0.14 0.00 0.00 0.00 0.00 32.46 32.83 2jtg n ARG 42 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2jtg n LYS 43 N 0.00 -2.28 -0.99 -0.14 4.76 -1.26 -4.64 118.16 113.62 2jtg n LYS 43 Ca 0.00 -0.72 -0.41 0.00 -2.87 0.00 0.00 58.31 54.31 2jtg n LYS 43 Cb 0.00 -1.13 -0.06 0.00 -1.84 0.00 0.00 35.03 32.00 2jtg n LYS 43 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2jtg n ASN 44 N -2.93 2.38 0.00 4.39 3.02 -1.26 -4.79 115.26 116.07 2jtg n ASN 44 Ca 0.07 -2.61 0.00 0.00 -0.03 0.00 0.00 54.58 52.01 2jtg n ASN 44 Cb 0.29 -1.00 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 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 7.45 0.00 -1.57 3.10 -1.74 -1.26 -4.62 117.46 118.82 2jtg n PHE 45 Ca 0.48 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.95 2jtg n PHE 45 Cb 0.38 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.34 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 0.00 1.65 0.00 3.97 3.00 -1.26 -4.72 118.16 120.79 2jtg n LYS 46 Ca 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 2jtg n LYS 46 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 35.03 31.84 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 8.76 0.00 0.29 1.64 -0.02 -1.26 -1.94 135.00 142.48 2jtg n PRO 47 Ca 0.33 0.03 -0.17 0.00 -2.02 0.00 0.00 63.50 61.67 2jtg n PRO 47 Cb 0.44 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.33 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 0.49 0.00 3.45 1.03 -1.96 -3.33 112.91 112.59 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 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 67.57 2jtg h THR 48 CO 0.00 0.00 -0.44 0.29 -0.01 0.00 0.00 175.52 175.36 2jtg n LYS 49 N -5.39 2.92 0.21 0.00 5.02 -1.19 -4.77 118.16 114.96 2jtg n LYS 49 Ca -0.12 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.27 2jtg n LYS 49 Cb 0.29 -0.72 0.17 0.00 -0.02 0.00 0.00 35.03 34.75 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 -1.61 -3.42 116.97 114.12 2jtg h TYR 50 Ca 0.00 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.36 2jtg h TYR 50 Cb 0.12 0.00 0.11 0.00 1.01 0.00 0.00 36.73 37.97 2jtg h TYR 50 CO 0.00 0.09 1.14 0.45 -1.05 0.00 0.00 178.16 178.79 2jtg n SER 51 N -3.13 0.48 -3.61 3.88 2.88 -1.22 -4.23 113.62 108.67 2jtg n SER 51 Ca 0.03 -1.99 -0.04 0.00 -1.33 0.00 0.00 58.87 55.54 2jtg n SER 51 Cb 0.56 -0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.61 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 5.92 -0.12 0.10 -3.46 1.04 -1.26 -0.65 113.70 115.27 2jtg s SER 52 Ca 0.49 0.07 0.03 0.00 0.48 0.00 0.00 55.95 57.03 2jtg s SER 52 Cb 0.11 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 2jtg s SER 52 CO 0.25 -0.16 -0.09 -0.63 0.98 0.00 0.00 173.24 173.59 2jtg s ILE 53 N -1.72 0.89 0.21 -1.02 -1.09 0.37 -2.08 121.20 116.76 2jtg s ILE 53 Ca 0.08 -1.68 0.07 0.00 -2.23 0.00 0.00 60.65 56.89 2jtg s ILE 53 Cb -0.01 -1.40 -0.04 0.00 -1.58 0.00 0.00 42.46 39.43 2jtg s ILE 53 CO -0.05 -0.61 0.07 0.00 -1.23 0.00 0.00 174.94 173.12 2jtg h SER 55 N 2.20 0.68 -1.34 0.00 4.64 -1.41 -2.96 113.55 115.36 2jtg h SER 55 Ca -0.47 0.01 0.39 0.00 -0.47 0.00 0.00 61.79 61.25 2jtg h SER 55 Cb 1.22 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 2jtg h SER 55 CO 0.60 0.41 1.28 -0.33 -0.87 0.00 0.00 176.83 177.92 2jtg h GLU 56 N 0.76 0.00 0.00 4.77 5.08 -1.96 0.84 114.58 124.07 2jtg h GLU 56 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2jtg h GLU 56 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2jtg h GLU 56 CO -0.13 0.00 -1.79 0.72 -1.00 0.00 0.00 179.01 176.81 2jtg n HIS 57 N -3.49 0.00 -2.38 4.33 8.25 -1.12 -4.98 115.22 115.84 2jtg n HIS 57 Ca 0.30 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.49 2jtg n HIS 57 Cb 1.68 -0.40 0.02 0.00 1.12 0.00 0.00 29.99 32.41 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 -3.37 3.38 0.17 4.41 0.08 0.29 -3.40 117.98 119.54 2jtg s PHE 58 Ca -0.05 0.78 -0.19 0.00 0.12 0.00 0.00 56.93 57.58 2jtg s PHE 58 Cb 0.14 -2.64 -0.08 0.00 -0.57 0.00 0.00 43.02 39.87 2jtg s PHE 58 CO 0.87 -0.69 0.67 0.95 -0.10 0.00 0.00 175.22 176.91 2jtg s THR 59 N -2.97 4.63 0.37 0.64 -4.23 -1.26 -4.97 115.64 107.85 2jtg s THR 59 Ca 0.53 1.23 0.12 0.00 -1.18 0.00 0.00 61.69 62.39 2jtg s THR 59 Cb -0.11 -3.88 0.34 0.00 1.34 0.00 0.00 72.50 70.20 2jtg s THR 59 CO 0.46 0.32 1.83 -0.65 -0.54 0.00 0.00 174.62 176.04 2jtg h PRO 60 N 3.78 0.57 0.00 3.99 0.11 -1.97 0.63 132.00 139.10 2jtg h PRO 60 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2jtg h PRO 60 Cb 1.20 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jtg h PRO 60 CO 0.65 0.38 -0.04 0.22 -0.21 0.00 0.00 178.00 179.00 2jtg h ASP 61 N 0.58 0.00 -0.35 -2.05 3.58 -2.01 -1.81 116.42 114.36 2jtg h ASP 61 Ca 0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.96 2jtg h ASP 61 Cb 1.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2jtg h ASP 61 CO -0.26 0.04 0.00 0.00 -2.88 0.00 0.00 179.24 176.14 2jtg n PHE 63 N 0.41 2.07 0.00 0.00 3.72 -0.68 -4.02 117.46 118.96 2jtg n PHE 63 Ca 0.17 -2.32 0.00 0.00 -0.05 0.00 0.00 57.45 55.24 2jtg n PHE 63 Cb 0.79 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2jtg n PHE 63 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2jtg n LYS 64 N -0.59 0.00 0.00 -1.08 5.02 -1.26 -4.97 118.16 115.28 2jtg n LYS 64 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2jtg n LYS 64 Cb 0.86 -0.32 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 2jtg n LYS 64 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2jtg n ARG 65 N 0.00 0.00 -0.84 1.97 -4.01 -1.26 -5.14 116.66 107.38 2jtg n ARG 65 Ca 0.00 0.00 -0.35 0.00 -1.04 0.00 0.00 57.85 56.46 2jtg n ARG 65 Cb 0.00 0.00 0.10 0.00 -3.04 0.00 0.00 32.46 29.52 2jtg n ARG 65 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 2jtg n GLU 66 N 0.00 -0.76 -0.06 2.89 4.07 -1.26 -4.94 120.64 120.58 2jtg n GLU 66 Ca 0.00 -0.21 -0.04 0.00 -0.06 0.00 0.00 57.16 56.85 2jtg n GLU 66 Cb 0.00 -1.37 0.04 0.00 -0.06 0.00 0.00 31.44 30.05 2jtg n GLU 66 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jtg h ASN 68 N -2.05 0.05 -0.32 0.00 -1.24 -1.92 0.60 115.58 110.71 2jtg h ASN 68 Ca -0.05 0.02 0.09 0.00 0.71 0.00 0.00 56.30 57.07 2jtg h ASN 68 Cb 0.18 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 2jtg h ASN 68 CO 0.03 -0.02 0.42 -0.55 -1.29 0.00 0.00 177.43 176.02 2jtg h ASN 69 N 0.03 0.00 0.00 1.15 7.08 -2.00 -0.46 115.58 121.38 2jtg h ASN 69 Ca 0.77 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.96 2jtg h ASN 69 Cb 2.96 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 39.14 2jtg h ASN 69 CO -0.08 0.00 -0.42 0.29 -2.08 0.00 0.00 177.43 175.14 2jtg n LYS 70 N -3.53 0.82 -4.13 4.14 4.76 0.21 -4.99 118.16 115.44 2jtg n LYS 70 Ca 0.05 -2.26 -0.23 0.00 -2.87 0.00 0.00 58.31 53.00 2jtg n LYS 70 Cb 0.56 -1.03 -0.06 0.00 -1.84 0.00 0.00 35.03 32.66 2jtg n LYS 70 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jtg s LEU 71 N -1.76 3.25 0.00 -0.35 1.43 -0.18 -4.16 118.68 116.91 2jtg s LEU 71 Ca 0.26 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 2jtg s LEU 71 Cb 0.25 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.74 2jtg s LEU 71 CO -0.03 -0.27 0.00 0.00 0.23 0.00 0.00 176.35 176.28 2jtg n LEU 72 N -1.12 0.00 0.00 1.79 -0.00 -1.26 -4.78 117.00 111.63 2jtg n LEU 72 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 55.97 2jtg n LEU 72 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 2jtg n LEU 72 CO 0.43 0.00 0.01 0.29 -0.00 0.00 0.00 177.39 178.11 2jtg n LYS 73 N 0.00 1.00 -0.60 1.47 4.76 -1.26 -4.76 118.16 118.77 2jtg n LYS 73 Ca 0.00 -0.04 0.47 0.00 -2.87 0.00 0.00 58.31 55.86 2jtg n LYS 73 Cb 0.00 -0.00 0.73 0.00 -1.84 0.00 0.00 35.03 33.92 2jtg n LYS 73 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2jtg n GLU 74 N -1.01 -0.01 -0.03 1.97 4.07 -1.26 0.24 120.64 124.60 2jtg n GLU 74 Ca 0.00 1.07 -0.16 0.00 -0.06 0.00 0.00 57.16 58.02 2jtg n GLU 74 Cb 0.01 -2.35 -0.08 0.00 -0.06 0.00 0.00 31.44 28.96 2jtg n GLU 74 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 2jtg h ASN 75 N 0.00 0.62 -0.70 4.31 2.35 -1.94 -3.46 115.58 116.76 2jtg h ASN 75 Ca 0.87 -0.62 -0.48 0.00 -0.55 0.00 0.00 56.30 55.52 2jtg h ASN 75 Cb 3.29 -0.18 0.07 0.00 0.05 0.00 0.00 38.32 41.55 2jtg h ASN 75 CO -0.15 1.14 -0.31 0.00 -1.65 0.00 0.00 177.43 176.46 2jtg n ALA 76 N -2.54 -2.36 -3.64 -0.83 0.00 0.65 -4.63 120.51 107.16 2jtg n ALA 76 Ca -0.08 0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.63 2jtg n ALA 76 Cb 0.58 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.59 0.00 -0.05 0.00 1.01 -1.26 -4.89 120.40 114.62 2jtg s VAL 77 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2jtg s VAL 77 Cb -0.68 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 34.75 2jtg s VAL 77 CO 0.39 0.00 1.50 -0.81 0.00 0.00 0.00 175.10 176.18 2jtg n PRO 78 N 2.03 1.12 0.00 2.72 -0.04 -1.26 -4.20 135.00 135.37 2jtg n PRO 78 Ca -0.12 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 2jtg n PRO 78 Cb 0.56 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.79 0.00 -0.68 0.52 -1.04 -1.23 0.17 114.28 112.80 2jtg n THR 79 Ca 0.05 0.00 0.52 0.00 -2.04 0.00 0.00 64.05 62.58 2jtg n THR 79 Cb 0.56 0.00 0.81 0.00 -1.82 0.00 0.00 70.33 69.88 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 0.01 0.00 12.58 2.04 -1.87 0.46 117.51 130.73 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 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 2jtg h ILE 80 CO 0.00 0.00 -1.09 0.49 0.00 0.00 0.00 178.15 177.55 2jtg n PHE 81 N -4.01 0.00 -2.97 1.37 3.01 0.13 -5.00 117.46 109.99 2jtg n PHE 81 Ca 0.44 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.50 2jtg n PHE 81 Cb 1.97 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 41.28 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 -3.20 4.49 0.15 4.37 1.98 0.16 -4.71 118.68 121.91 2jtg s LEU 82 Ca -0.01 1.52 -0.25 0.00 -2.89 0.00 0.00 54.13 52.50 2jtg s LEU 82 Cb 0.04 -3.27 0.01 0.00 0.66 0.00 0.00 46.19 43.63 2jtg s LEU 82 CO 0.25 0.06 1.60 -0.08 -1.89 0.00 0.00 176.35 176.29 2jtg h GLU 83 N 5.30 -0.32 0.00 1.98 4.57 -1.95 -3.43 114.58 120.73 2jtg h GLU 83 Ca -0.45 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 2jtg h GLU 83 Cb 1.21 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 2jtg h GLU 83 CO 0.70 -0.21 0.00 1.28 -1.18 0.00 0.00 179.01 179.59 2jtg n LEU 84 N -5.41 0.00 -3.88 1.64 4.77 -1.26 -5.09 117.00 107.77 2jtg n LEU 84 Ca -0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 2jtg n LEU 84 Cb 0.33 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.30 2jtg n LEU 84 CO 0.11 -0.43 -0.26 0.54 -1.33 0.00 0.00 177.39 176.02 2jtg s VAL 85 N 1.05 0.05 0.08 4.08 0.11 -1.26 -4.64 120.40 119.87 2jtg s VAL 85 Ca 0.00 -0.38 -0.29 0.00 -2.93 0.00 0.00 61.98 58.38 2jtg s VAL 85 Cb 0.00 -0.24 -0.17 0.00 -1.53 0.00 0.00 36.38 34.44 2jtg s VAL 85 CO 0.00 -0.21 1.67 -0.65 -3.33 0.00 0.00 175.10 172.58 2jtg h PRO 86 N 5.25 -0.51 -0.02 1.54 0.11 -1.94 -3.53 132.00 132.90 2jtg h PRO 86 Ca -0.28 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2jtg h PRO 86 Cb 1.20 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2jtg h PRO 86 CO 0.43 -0.34 0.00 2.89 -0.21 0.00 0.00 178.00 180.77