#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j4t h GLU 3 N 0.00 0.91 -0.76 1.20 4.57 -2.03 -2.37 114.58 116.10 2j4t h GLU 3 Ca 0.00 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 2j4t h GLU 3 Cb 0.00 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 2j4t h GLU 3 CO 0.00 1.08 0.47 0.00 -1.18 0.00 0.00 179.01 179.38 2j4t h ARG 4 N 0.77 1.02 -0.60 1.92 3.08 -1.99 0.69 114.38 119.26 2j4t h ARG 4 Ca 0.09 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 2j4t h ARG 4 Cb 0.86 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 2j4t h ARG 4 CO 0.08 0.70 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.75 2j4t h TYR 5 N 1.04 1.15 -0.48 3.04 3.20 -1.73 -2.89 116.97 120.31 2j4t h TYR 5 Ca 0.28 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2j4t h TYR 5 Cb -0.07 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.87 2j4t h TYR 5 CO 0.00 1.02 0.29 0.93 -1.64 0.00 0.00 178.16 178.76 2j4t h GLU 6 N 0.97 0.64 -0.64 1.82 4.39 -0.51 -2.32 114.58 118.94 2j4t h GLU 6 Ca 0.17 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2j4t h GLU 6 Cb 0.56 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2j4t h GLU 6 CO 0.03 0.47 0.39 0.87 -1.16 0.00 0.00 179.01 179.61 2j4t h LYS 7 N 0.64 0.85 -0.10 2.33 1.57 -0.87 -1.13 116.57 119.87 2j4t h LYS 7 Ca 0.17 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2j4t h LYS 7 Cb -0.02 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 2j4t h LYS 7 CO -0.03 0.59 0.05 0.35 -0.57 0.00 0.00 179.45 179.83 2j4t h PHE 8 N 0.87 0.14 -0.72 -1.35 3.57 -1.23 -1.28 116.94 116.94 2j4t h PHE 8 Ca 0.23 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 2j4t h PHE 8 Cb -0.05 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2j4t h PHE 8 CO 0.00 0.20 0.23 -0.07 -2.23 0.00 0.00 178.31 176.44 2j4t h LEU 9 N 0.04 1.05 -0.09 0.59 3.38 -1.11 0.34 115.31 119.50 2j4t h LEU 9 Ca 0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2j4t h LEU 9 Cb 0.11 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2j4t h LEU 9 CO -0.00 0.97 0.04 -0.09 0.09 0.00 0.00 178.44 179.45 2j4t h ARG 10 N 1.08 0.13 0.00 1.13 2.43 -1.05 -0.97 114.38 117.13 2j4t h ARG 10 Ca 0.23 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.23 2j4t h ARG 10 Cb 0.30 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2j4t h ARG 10 CO -0.01 0.19 -0.74 1.96 -1.51 0.00 0.00 179.97 179.86 2j4t h GLN 11 N 0.03 0.00 0.00 0.20 4.20 -1.07 -3.40 115.11 115.07 2j4t h GLN 11 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2j4t h GLN 11 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2j4t h GLN 11 CO -0.00 0.74 -0.05 0.72 -0.67 0.00 0.00 178.83 179.56 2j4t n HIS 12 N -3.42 0.00 -4.63 2.96 8.25 0.12 -4.70 115.22 113.79 2j4t n HIS 12 Ca 0.00 -0.37 -0.23 0.00 -0.26 0.00 0.00 57.72 56.86 2j4t n HIS 12 Cb 0.78 -0.05 -0.15 0.00 1.12 0.00 0.00 29.99 31.69 2j4t n HIS 12 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2j4t s TYR 13 N -0.88 1.28 -0.34 4.41 5.04 -0.37 0.02 117.35 126.51 2j4t s TYR 13 Ca 0.05 -0.28 0.06 0.00 -2.44 0.00 0.00 57.07 54.45 2j4t s TYR 13 Cb 0.04 -0.85 0.18 0.00 0.35 0.00 0.00 41.96 41.69 2j4t s TYR 13 CO 0.00 -0.06 0.54 0.34 -1.34 0.00 0.00 175.55 175.04 2j4t s ASP 14 N -0.17 -0.89 0.12 4.32 2.15 -0.95 -4.80 116.67 116.44 2j4t s ASP 14 Ca 0.02 -0.46 -0.31 0.00 0.43 0.00 0.00 52.55 52.23 2j4t s ASP 14 Cb -0.07 1.66 -0.09 0.00 -0.30 0.00 0.00 42.92 44.12 2j4t s ASP 14 CO 0.00 -0.26 1.57 0.00 -0.17 0.00 0.00 175.17 176.31 2j4t h ALA 15 N 7.58 -0.75 -3.45 3.66 0.00 -1.78 -3.38 119.26 121.14 2j4t h ALA 15 Ca 0.00 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 54.22 2j4t h ALA 15 Cb 1.16 0.83 -0.40 0.00 0.00 0.00 0.00 17.79 19.38 2j4t h ALA 15 CO 0.16 -1.01 -0.69 -1.59 0.00 0.00 0.00 179.25 176.12 2j4t s LYS 16 N -5.84 1.56 0.81 0.00 -2.85 -1.26 -3.12 119.74 109.04 2j4t s LYS 16 Ca -0.16 -2.08 -0.12 0.00 -1.00 0.00 0.00 55.97 52.61 2j4t s LYS 16 Cb 0.08 -3.03 0.08 0.00 -2.06 0.00 0.00 37.83 32.90 2j4t s LYS 16 CO 0.63 -1.03 1.17 -1.25 0.10 0.00 0.00 175.35 174.97 2j4t s PRO 17 N 0.48 1.94 -0.07 1.78 0.04 -1.26 -5.10 135.00 132.82 2j4t s PRO 17 Ca 0.14 0.07 -0.03 0.00 0.04 0.00 0.00 61.00 61.22 2j4t s PRO 17 Cb -0.22 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.40 2j4t s PRO 17 CO -0.06 -1.60 0.14 -1.14 0.04 0.00 0.00 177.00 174.38 2j4t s GLN 18 N -5.56 0.07 0.00 4.56 2.00 -1.26 -4.90 119.66 114.56 2j4t s GLN 18 Ca 0.62 0.40 0.00 0.00 -2.00 0.00 0.00 55.36 54.38 2j4t s GLN 18 Cb -0.11 -0.21 0.00 0.00 0.80 0.00 0.00 33.01 33.49 2j4t s GLN 18 CO 0.49 -0.20 0.00 0.41 -0.50 0.00 0.00 175.29 175.49 2j4t n GLY 19 N 4.45 1.70 3.61 2.59 0.00 -1.26 -4.68 105.19 111.60 2j4t n GLY 19 Ca -0.22 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 2j4t n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j4t n ARG 20 N 0.00 -1.77 -1.21 1.61 1.74 -1.26 -4.89 116.66 110.88 2j4t n ARG 20 Ca 0.00 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2j4t n ARG 20 Cb 0.00 -4.62 0.00 0.00 -1.02 0.00 0.00 32.46 26.82 2j4t n ARG 20 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2j4t n ASP 21 N -2.02 1.27 -0.29 0.55 5.68 -1.26 -4.76 116.55 115.72 2j4t n ASP 21 Ca 0.06 -0.74 -0.01 0.00 -0.50 0.00 0.00 54.79 53.61 2j4t n ASP 21 Cb 0.47 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.57 2j4t n ASP 21 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2j4t h ASP 22 N 0.00 0.79 0.25 -1.12 5.19 -1.88 -1.79 116.42 117.86 2j4t h ASP 22 Ca 0.00 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.37 2j4t h ASP 22 Cb 0.00 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.35 2j4t h ASP 22 CO 0.00 0.52 -0.23 -0.09 -3.12 0.00 0.00 179.24 176.32 2j4t h ARG 23 N 0.93 0.00 -0.64 3.56 2.43 -1.96 -2.24 114.38 116.45 2j4t h ARG 23 Ca 0.34 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.42 2j4t h ARG 23 Cb 0.11 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2j4t h ARG 23 CO -0.15 0.23 0.07 -0.92 -1.51 0.00 0.00 179.97 177.69 2j4t h TYR 24 N 0.00 1.17 -0.17 2.20 3.20 -1.64 -2.44 116.97 119.28 2j4t h TYR 24 Ca -0.00 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.63 2j4t h TYR 24 Cb 0.42 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 2j4t h TYR 24 CO 0.00 0.99 -0.12 0.00 -1.64 0.00 0.00 178.16 177.39 2j4t h GLU 26 N 0.04 1.13 -0.21 0.00 5.08 -1.48 0.17 114.58 119.32 2j4t h GLU 26 Ca 0.03 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2j4t h GLU 26 Cb 0.63 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2j4t h GLU 26 CO 0.03 0.94 -0.12 0.77 -1.00 0.00 0.00 179.01 179.64 2j4t h SER 27 N 1.09 0.47 0.07 1.42 0.02 -1.44 -2.88 113.55 112.30 2j4t h SER 27 Ca 0.24 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2j4t h SER 27 Cb 0.25 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2j4t h SER 27 CO -0.01 0.79 -0.03 0.24 -1.14 0.00 0.00 176.83 176.67 2j4t h MET 28 N 0.15 -0.09 -0.72 3.45 2.86 -0.86 -0.43 114.93 119.28 2j4t h MET 28 Ca 0.04 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.75 2j4t h MET 28 Cb 0.62 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 2j4t h MET 28 CO 0.03 0.04 0.47 0.52 1.06 0.00 0.00 176.91 179.04 2j4t h MET 29 N -0.21 0.74 -0.11 1.72 2.07 -1.04 0.19 114.93 118.29 2j4t h MET 29 Ca -0.01 -0.04 -0.10 0.00 -2.07 0.00 0.00 59.70 57.48 2j4t h MET 29 Cb 0.18 -0.17 0.00 0.00 -1.87 0.00 0.00 31.60 29.74 2j4t h MET 29 CO 0.02 0.49 -0.32 -0.22 1.07 0.00 0.00 176.91 177.95 2j4t h LYS 30 N 0.77 0.42 -0.71 1.72 3.64 -1.36 0.04 116.57 121.08 2j4t h LYS 30 Ca 0.31 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2j4t h LYS 30 Cb 0.23 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2j4t h LYS 30 CO -0.10 0.91 0.31 1.49 -2.27 0.00 0.00 179.45 179.80 2j4t h GLU 31 N -0.01 1.03 -0.26 1.90 4.81 -0.19 -2.36 114.58 119.51 2j4t h GLU 31 Ca -0.01 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2j4t h GLU 31 Cb 0.94 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2j4t h GLU 31 CO 0.07 0.82 0.00 0.54 -0.73 0.00 0.00 179.01 179.71 2j4t n ARG 32 N -4.31 1.71 -3.26 1.92 5.12 0.58 -4.95 116.66 113.47 2j4t n ARG 32 Ca 0.07 -1.10 -0.16 0.00 -1.93 0.00 0.00 57.85 54.73 2j4t n ARG 32 Cb 0.16 -1.30 0.07 0.00 -1.16 0.00 0.00 32.46 30.23 2j4t n ARG 32 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2j4t n LYS 33 N 0.36 -5.89 -0.59 5.56 5.02 -0.89 -4.82 118.16 116.91 2j4t n LYS 33 Ca 0.13 0.70 0.02 0.00 -2.02 0.00 0.00 58.31 57.14 2j4t n LYS 33 Cb 0.28 -5.32 0.21 0.00 -0.02 0.00 0.00 35.03 30.19 2j4t n LYS 33 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2j4t n LEU 34 N -3.82 3.64 -0.69 -0.35 7.99 -0.02 -4.59 117.00 119.17 2j4t n LEU 34 Ca -0.16 -3.51 0.07 0.00 -0.01 0.00 0.00 56.01 52.39 2j4t n LEU 34 Cb 0.61 -0.57 0.14 0.00 -0.11 0.00 0.00 43.42 43.49 2j4t n LEU 34 CO 0.52 1.06 0.59 0.35 -1.51 0.00 0.00 177.39 178.39 2j4t n THR 35 N -1.02 0.64 -3.72 -5.08 -2.24 -1.25 -0.79 114.28 100.82 2j4t n THR 35 Ca 0.26 -0.82 -0.29 0.00 -2.27 0.00 0.00 64.05 60.93 2j4t n THR 35 Cb 0.90 0.78 -0.12 0.00 -2.10 0.00 0.00 70.33 69.79 2j4t n THR 35 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2j4t s SER 36 N -1.04 3.57 0.93 3.42 1.04 -1.26 -2.27 113.70 118.09 2j4t s SER 36 Ca 0.23 -3.10 -0.13 0.00 0.48 0.00 0.00 55.95 53.44 2j4t s SER 36 Cb 0.13 -1.12 0.20 0.00 0.10 0.00 0.00 66.02 65.33 2j4t s SER 36 CO 0.18 -0.19 1.27 -2.16 0.98 0.00 0.00 173.24 173.32 2j4t s PRO 37 N -0.28 0.72 0.09 4.02 0.04 -1.26 -5.03 135.00 133.30 2j4t s PRO 37 Ca 0.23 -0.66 -0.31 0.00 0.04 0.00 0.00 61.00 60.30 2j4t s PRO 37 Cb -0.13 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 2j4t s PRO 37 CO -0.09 -2.29 1.88 0.00 0.04 0.00 0.00 177.00 176.54 2j4t s LYS 39 N 3.25 4.40 0.02 0.00 2.20 0.03 -4.95 119.74 124.68 2j4t s LYS 39 Ca 0.84 1.96 -0.25 0.00 -0.36 0.00 0.00 55.97 58.16 2j4t s LYS 39 Cb -0.48 -3.02 -0.17 0.00 -1.51 0.00 0.00 37.83 32.65 2j4t s LYS 39 CO 0.39 -0.06 1.33 0.22 -0.36 0.00 0.00 175.35 176.87 2j4t h ASP 40 N 3.38 -0.30 -3.89 1.43 1.82 -1.91 -3.41 116.42 113.54 2j4t h ASP 40 Ca -0.48 -0.18 -0.23 0.00 -0.39 0.00 0.00 57.03 55.76 2j4t h ASP 40 Cb 1.22 0.08 -0.27 0.00 0.68 0.00 0.00 39.33 41.04 2j4t h ASP 40 CO 0.65 0.03 -0.72 -0.69 -1.61 0.00 0.00 179.24 176.91 2j4t s VAL 41 N -4.89 0.03 -0.20 2.25 1.01 -1.26 -1.13 120.40 116.21 2j4t s VAL 41 Ca -0.15 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 2j4t s VAL 41 Cb 0.03 -0.05 0.06 0.00 0.00 0.00 0.00 36.38 36.42 2j4t s VAL 41 CO 0.58 -0.06 0.48 0.21 0.00 0.00 0.00 175.10 176.31 2j4t s ASN 42 N -0.19 -0.62 -0.08 3.32 2.47 -0.64 -5.00 114.94 114.20 2j4t s ASN 42 Ca -0.02 1.04 0.02 0.00 0.42 0.00 0.00 52.86 54.32 2j4t s ASN 42 Cb -0.01 0.92 -0.02 0.00 -1.45 0.00 0.00 41.25 40.68 2j4t s ASN 42 CO -0.00 -0.20 -0.12 -0.89 -3.72 0.00 0.00 177.10 172.16 2j4t s THR 43 N 1.46 3.21 -0.12 -5.21 2.01 -1.26 -0.00 115.64 115.72 2j4t s THR 43 Ca -0.10 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 2j4t s THR 43 Cb -0.08 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 2j4t s THR 43 CO -0.15 0.57 0.02 -0.36 -0.69 0.00 0.00 174.62 174.02 2j4t s PHE 44 N -0.36 3.21 -0.12 4.92 0.08 0.05 -4.42 117.98 121.34 2j4t s PHE 44 Ca 0.04 0.14 -0.06 0.00 0.12 0.00 0.00 56.93 57.17 2j4t s PHE 44 Cb -0.12 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 2j4t s PHE 44 CO 0.02 0.37 0.10 0.42 -0.10 0.00 0.00 175.22 176.03 2j4t s ILE 45 N -0.47 5.14 0.39 0.64 1.01 0.10 -1.13 121.20 126.87 2j4t s ILE 45 Ca 0.09 0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.89 2j4t s ILE 45 Cb -0.12 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 2j4t s ILE 45 CO 0.02 0.60 0.33 -1.00 0.00 0.00 0.00 174.94 174.89 2j4t s HIS 46 N -0.83 2.77 0.00 3.97 3.76 -0.30 -2.25 115.29 122.41 2j4t s HIS 46 Ca 0.13 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 2j4t s HIS 46 Cb -0.12 -2.01 0.00 0.00 1.11 0.00 0.00 32.58 31.56 2j4t s HIS 46 CO 0.03 0.02 0.00 0.41 -0.85 0.00 0.00 174.74 174.35 2j4t n GLY 47 N -1.45 0.25 3.90 -2.22 0.00 -1.18 -4.53 105.19 99.95 2j4t n GLY 47 Ca 0.01 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 43.96 2j4t n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j4t s THR 48 N 0.00 3.29 -0.13 2.61 -4.23 -1.26 -4.31 115.64 111.61 2j4t s THR 48 Ca 0.00 -1.27 0.15 0.00 -1.18 0.00 0.00 61.69 59.39 2j4t s THR 48 Cb 0.00 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 2j4t s THR 48 CO 0.00 -0.10 1.23 0.11 -0.54 0.00 0.00 174.62 175.32 2j4t h LYS 49 N 1.07 0.00 -0.34 3.99 1.57 -1.99 -3.32 116.57 117.54 2j4t h LYS 49 Ca -0.43 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.30 2j4t h LYS 49 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 2j4t h LYS 49 CO 0.56 0.45 0.01 0.87 -0.57 0.00 0.00 179.45 180.77 2j4t h LYS 50 N 0.00 0.53 0.00 3.15 1.57 -1.99 -2.32 116.57 117.51 2j4t h LYS 50 Ca -0.06 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 2j4t h LYS 50 Cb 1.47 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 2j4t h LYS 50 CO 0.06 0.55 -0.18 -0.91 -0.57 0.00 0.00 179.45 178.41 2j4t h ASN 51 N 0.51 0.00 0.20 0.86 2.35 -2.00 -2.08 115.58 115.42 2j4t h ASN 51 Ca 0.11 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.56 2j4t h ASN 51 Cb 0.32 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.73 2j4t h ASN 51 CO 0.01 0.18 -1.30 0.40 -1.65 0.00 0.00 177.43 175.06 2j4t h ILE 52 N 0.00 1.32 0.00 2.81 2.04 -1.56 -3.24 117.51 118.88 2j4t h ILE 52 Ca -0.00 -2.59 -0.10 0.00 1.00 0.00 0.00 64.86 63.16 2j4t h ILE 52 Cb 0.96 2.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.98 2j4t h ILE 52 CO 0.02 0.77 -0.49 0.03 0.00 0.00 0.00 178.15 178.49 2j4t h ARG 53 N 0.11 0.00 0.00 2.37 3.08 -1.45 -2.74 114.38 115.74 2j4t h ARG 53 Ca -0.22 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 2j4t h ARG 53 Cb 2.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.06 2j4t h ARG 53 CO 0.25 0.49 -0.02 0.00 -1.07 0.00 0.00 179.97 179.62 2j4t h ALA 54 N 1.51 1.27 0.00 0.04 0.00 -1.40 0.20 119.26 120.89 2j4t h ALA 54 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2j4t h ALA 54 Cb 0.96 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2j4t h ALA 54 CO 0.06 0.02 -0.05 0.82 0.00 0.00 0.00 179.25 180.11 2j4t h ILE 55 N 0.00 0.21 -0.00 0.00 2.04 -1.55 0.30 117.51 118.50 2j4t h ILE 55 Ca -0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2j4t h ILE 55 Cb 0.07 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2j4t h ILE 55 CO 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 178.15 178.05 2j4t n GLY 57 N 1.46 4.66 0.27 0.00 0.00 0.10 -4.87 105.19 106.82 2j4t n GLY 57 Ca 0.08 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.47 2j4t n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j4t h LYS 58 N 0.00 0.46 -1.61 1.61 1.79 -1.89 -2.75 116.57 114.19 2j4t h LYS 58 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2j4t h LYS 58 Cb 0.00 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 2j4t h LYS 58 CO 0.00 0.31 0.00 1.63 -1.08 0.00 0.00 179.45 180.31 2j4t n LYS 59 N -4.97 0.73 -4.02 3.15 5.02 -1.12 -4.76 118.16 112.19 2j4t n LYS 59 Ca 0.13 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.32 2j4t n LYS 59 Cb 0.38 -1.14 -0.05 0.00 -0.02 0.00 0.00 35.03 34.21 2j4t n LYS 59 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2j4t s GLY 60 N 1.46 0.78 0.03 0.72 0.00 -1.04 -2.61 107.32 106.66 2j4t s GLY 60 Ca 0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 44.72 43.62 2j4t s GLY 60 CO 0.00 -0.73 0.07 -0.56 0.00 0.00 0.00 173.10 171.88 2j4t s SER 61 N -3.08 0.19 0.29 1.64 0.01 -0.63 -4.91 113.70 107.22 2j4t s SER 61 Ca 0.25 -0.53 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 2j4t s SER 61 Cb -0.00 0.20 -0.10 0.00 0.21 0.00 0.00 66.02 66.33 2j4t s SER 61 CO 0.12 -0.47 1.28 -2.16 0.41 0.00 0.00 173.24 172.41 2j4t s PRO 62 N -2.42 4.41 -0.55 12.44 0.04 -1.26 -0.49 135.00 147.17 2j4t s PRO 62 Ca -0.07 2.11 0.06 0.00 0.04 0.00 0.00 61.00 63.15 2j4t s PRO 62 Cb -0.02 -3.12 0.23 0.00 0.04 0.00 0.00 34.50 31.62 2j4t s PRO 62 CO -0.04 -0.14 0.59 0.98 0.04 0.00 0.00 177.00 178.43 2j4t n TYR 63 N 1.37 1.83 0.00 0.56 9.36 0.10 -4.73 117.16 125.65 2j4t n TYR 63 Ca 0.02 -3.90 0.00 0.00 3.32 0.00 0.00 57.90 57.33 2j4t n TYR 63 Cb 0.42 -0.41 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 2j4t n TYR 63 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2j4t n GLY 64 N 1.43 -1.70 0.08 2.98 0.00 -1.26 -3.90 105.19 102.83 2j4t n GLY 64 Ca 0.26 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 2j4t n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2j4t h GLU 65 N 0.17 0.13 -0.00 1.61 5.08 -2.03 -3.38 114.58 116.15 2j4t h GLU 65 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2j4t h GLU 65 Cb 0.00 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2j4t h GLU 65 CO 0.00 1.04 -0.50 0.09 -1.00 0.00 0.00 179.01 178.64 2j4t n ASN 66 N -3.40 0.84 -4.60 1.42 4.13 -1.26 -5.04 115.26 107.35 2j4t n ASN 66 Ca -0.07 -0.92 -0.26 0.00 1.68 0.00 0.00 54.58 55.01 2j4t n ASN 66 Cb 0.99 0.84 -0.10 0.00 -1.54 0.00 0.00 39.78 39.98 2j4t n ASN 66 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2j4t s PHE 67 N -2.02 2.49 0.06 3.10 0.40 -1.25 -4.35 117.98 116.41 2j4t s PHE 67 Ca 0.07 -0.54 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 2j4t s PHE 67 Cb 0.10 -1.58 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 2j4t s PHE 67 CO 0.46 0.48 -0.17 1.03 0.70 0.00 0.00 175.22 177.72 2j4t s ARG 68 N -3.69 1.06 0.08 0.44 1.81 -0.36 0.01 118.95 118.29 2j4t s ARG 68 Ca 0.35 -0.94 0.09 0.00 -1.72 0.00 0.00 55.73 53.51 2j4t s ARG 68 Cb 0.04 -1.16 -0.03 0.00 -0.45 0.00 0.00 34.95 33.35 2j4t s ARG 68 CO 0.18 0.28 -0.24 -1.50 -0.68 0.00 0.00 175.30 173.34 2j4t s ILE 69 N -1.00 2.39 0.58 1.52 2.07 0.35 -1.49 121.20 125.62 2j4t s ILE 69 Ca 0.03 -1.47 -0.16 0.00 -1.41 0.00 0.00 60.65 57.65 2j4t s ILE 69 Cb -0.09 -2.00 -0.05 0.00 0.13 0.00 0.00 42.46 40.45 2j4t s ILE 69 CO 0.02 0.25 1.04 -0.94 -1.91 0.00 0.00 174.94 173.41 2j4t s SER 70 N -1.62 5.96 0.09 4.50 1.04 -0.13 -1.60 113.70 121.94 2j4t s SER 70 Ca 0.14 1.77 0.26 0.00 0.48 0.00 0.00 55.95 58.59 2j4t s SER 70 Cb -0.10 -2.53 0.66 0.00 0.10 0.00 0.00 66.02 64.15 2j4t s SER 70 CO 0.05 -1.04 1.56 0.59 0.98 0.00 0.00 173.24 175.37 2j4t n ASN 71 N -1.93 0.54 -4.12 7.02 3.02 -1.07 -4.76 115.26 113.95 2j4t n ASN 71 Ca 0.08 0.20 -0.08 0.00 -0.03 0.00 0.00 54.58 54.75 2j4t n ASN 71 Cb 0.53 -0.15 -0.10 0.00 -0.61 0.00 0.00 39.78 39.45 2j4t n ASN 71 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2j4t s SER 72 N -3.76 0.58 0.68 6.41 1.04 -1.26 -5.09 113.70 112.30 2j4t s SER 72 Ca 0.10 -1.06 -0.11 0.00 0.48 0.00 0.00 55.95 55.36 2j4t s SER 72 Cb 0.15 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 2j4t s SER 72 CO 0.65 -0.61 1.05 -2.84 0.98 0.00 0.00 173.24 172.48 2j4t s PRO 73 N -3.94 3.10 0.04 4.02 0.02 -1.26 -4.55 135.00 132.43 2j4t s PRO 73 Ca 0.13 0.85 0.05 0.00 0.02 0.00 0.00 61.00 62.05 2j4t s PRO 73 Cb 0.07 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 2j4t s PRO 73 CO -0.06 -0.95 -0.14 -0.06 -0.33 0.00 0.00 177.00 175.46 2j4t s PHE 74 N -3.11 1.21 0.07 6.54 0.40 0.12 -4.90 117.98 118.32 2j4t s PHE 74 Ca 0.57 -0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 56.25 2j4t s PHE 74 Cb -0.13 -0.72 -0.06 0.00 0.51 0.00 0.00 43.02 42.63 2j4t s PHE 74 CO 0.55 0.03 1.13 -1.14 0.70 0.00 0.00 175.22 176.48 2j4t s GLN 75 N -1.11 4.50 0.01 0.44 2.00 -1.26 -2.30 119.66 121.93 2j4t s GLN 75 Ca 0.01 1.68 -0.08 0.00 -2.00 0.00 0.00 55.36 54.97 2j4t s GLN 75 Cb -0.08 -3.36 0.00 0.00 0.80 0.00 0.00 33.01 30.38 2j4t s GLN 75 CO 0.01 -0.13 0.15 0.96 -0.50 0.00 0.00 175.29 175.78 2j4t s ILE 76 N 0.75 0.09 -0.16 -2.34 -4.36 -0.38 -1.15 121.20 113.65 2j4t s ILE 76 Ca 0.55 -0.75 0.01 0.00 -0.26 0.00 0.00 60.65 60.20 2j4t s ILE 76 Cb -0.28 -0.57 0.02 0.00 1.25 0.00 0.00 42.46 42.89 2j4t s ILE 76 CO 0.30 -0.41 -0.16 -0.89 0.24 0.00 0.00 174.94 174.02 2j4t s THR 77 N -1.69 1.74 -0.16 8.37 2.01 -0.29 -1.48 115.64 124.14 2j4t s THR 77 Ca -0.12 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 2j4t s THR 77 Cb -0.06 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 2j4t s THR 77 CO 0.00 0.49 0.19 -0.89 -0.69 0.00 0.00 174.62 173.72 2j4t s THR 78 N 1.37 5.38 -0.25 -0.82 2.01 -0.35 -0.77 115.64 122.21 2j4t s THR 78 Ca 0.04 0.32 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 2j4t s THR 78 Cb -0.13 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 2j4t s THR 78 CO -0.11 0.47 0.02 0.00 -0.69 0.00 0.00 174.62 174.31 2j4t s THR 80 N 1.51 3.85 0.45 0.00 2.01 -0.62 -1.61 115.64 121.22 2j4t s THR 80 Ca 0.05 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.43 2j4t s THR 80 Cb -0.15 -2.66 -0.08 0.00 0.01 0.00 0.00 72.50 69.62 2j4t s THR 80 CO -0.00 0.52 1.18 -2.28 -0.69 0.00 0.00 174.62 173.35 2j4t s HIS 81 N 0.08 2.88 -1.46 4.92 2.46 -0.28 -1.57 115.29 122.32 2j4t s HIS 81 Ca -0.01 1.52 -0.14 0.00 0.47 0.00 0.00 55.06 56.91 2j4t s HIS 81 Cb -0.14 -3.42 0.04 0.00 -0.13 0.00 0.00 32.58 28.94 2j4t s HIS 81 CO 0.03 -1.58 2.22 0.43 -2.47 0.00 0.00 174.74 173.37 2j4t n SER 82 N -0.36 3.90 -2.44 9.88 7.64 0.13 -4.87 113.62 127.49 2j4t n SER 82 Ca 0.07 -2.85 -0.18 0.00 1.01 0.00 0.00 58.87 56.92 2j4t n SER 82 Cb 0.47 -1.66 -0.10 0.00 -1.01 0.00 0.00 64.21 61.92 2j4t n SER 82 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2j4t n ARG 83 N 6.06 0.00 0.00 1.43 1.74 -1.26 -4.48 116.66 120.15 2j4t n ARG 83 Ca 0.52 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 2j4t n ARG 83 Cb 0.39 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 2j4t n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j4t n GLY 84 N 3.32 3.21 0.81 -0.13 0.00 -1.26 -5.10 105.19 106.03 2j4t n GLY 84 Ca 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2j4t n GLY 84 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2j4t n SER 85 N 0.00 -1.07 0.00 1.61 7.64 -1.26 -4.91 113.62 115.63 2j4t n SER 85 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 2j4t n SER 85 Cb 0.00 -0.38 0.15 0.00 -1.01 0.00 0.00 64.21 62.98 2j4t n SER 85 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2j4t n PRO 86 N -0.70 0.53 -0.64 1.43 -0.04 -1.26 -4.65 135.00 129.67 2j4t n PRO 86 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2j4t n PRO 86 Cb 0.27 -1.15 0.19 0.00 -0.04 0.00 0.00 33.50 32.76 2j4t n PRO 86 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2j4t n TRP 87 N -0.65 -1.33 -0.21 0.54 5.03 -1.26 -4.50 117.44 115.05 2j4t n TRP 87 Ca 0.04 0.09 0.14 0.00 3.03 0.00 0.00 57.50 60.80 2j4t n TRP 87 Cb 0.02 -1.63 0.26 0.00 -1.03 0.00 0.00 31.31 28.93 2j4t n TRP 87 CO 0.00 0.00 0.00 -2.30 -0.03 0.00 0.00 177.69 175.36 2j4t n PRO 88 N -2.76 -0.04 -2.55 -0.99 -0.02 -1.26 -3.69 135.00 123.68 2j4t n PRO 88 Ca 0.02 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 62.00 2j4t n PRO 88 Cb 0.59 -1.52 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 2j4t n PRO 88 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2j4t s PRO 89 N -5.27 3.32 -0.33 0.52 0.04 -1.26 -4.98 135.00 127.05 2j4t s PRO 89 Ca -0.07 0.01 -0.18 0.00 0.04 0.00 0.00 61.00 60.80 2j4t s PRO 89 Cb 0.20 -4.11 -0.01 0.00 0.04 0.00 0.00 34.50 30.62 2j4t s PRO 89 CO 0.49 -1.95 0.51 0.00 0.04 0.00 0.00 177.00 176.09 2j4t s GLY 91 N 1.72 2.88 0.03 0.00 0.00 -1.26 -4.88 107.32 105.80 2j4t s GLY 91 Ca 0.19 0.31 -0.05 0.00 0.00 0.00 0.00 44.72 45.17 2j4t s GLY 91 CO 0.12 0.82 0.08 -0.19 0.00 0.00 0.00 173.10 173.93 2j4t s TYR 92 N -1.08 0.19 0.00 1.90 2.02 -1.26 0.19 117.35 119.32 2j4t s TYR 92 Ca 0.35 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 2j4t s TYR 92 Cb -0.22 -0.14 -0.01 0.00 -0.40 0.00 0.00 41.96 41.18 2j4t s TYR 92 CO 0.25 -0.34 -0.11 1.03 -1.57 0.00 0.00 175.55 174.82 2j4t s ARG 93 N -2.35 0.83 0.20 -0.62 0.52 -0.61 -4.77 118.95 112.16 2j4t s ARG 93 Ca -0.07 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 54.67 2j4t s ARG 93 Cb -0.03 -0.80 -0.04 0.00 0.52 0.00 0.00 34.95 34.60 2j4t s ARG 93 CO -0.03 0.21 0.39 0.00 0.02 0.00 0.00 175.30 175.89 2j4t s ALA 94 N -0.41 3.83 -0.16 2.13 0.00 -1.26 -1.59 121.76 124.29 2j4t s ALA 94 Ca 0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 2j4t s ALA 94 Cb -0.05 -1.99 0.08 0.00 0.00 0.00 0.00 23.12 21.16 2j4t s ALA 94 CO -0.00 0.43 0.21 0.12 0.00 0.00 0.00 175.76 176.52 2j4t s PHE 95 N -1.87 -0.26 0.06 0.00 5.36 -0.64 -4.85 117.98 115.78 2j4t s PHE 95 Ca 0.38 0.42 -0.21 0.00 -0.96 0.00 0.00 56.93 56.57 2j4t s PHE 95 Cb -0.11 -0.30 -0.06 0.00 -0.34 0.00 0.00 43.02 42.21 2j4t s PHE 95 CO 0.29 -0.48 0.61 -1.59 -1.46 0.00 0.00 175.22 172.59 2j4t s LYS 96 N 2.33 4.29 0.29 10.12 -2.85 -1.26 -1.21 119.74 131.44 2j4t s LYS 96 Ca 0.05 0.79 -0.11 0.00 -1.00 0.00 0.00 55.97 55.70 2j4t s LYS 96 Cb -0.14 -3.28 0.01 0.00 -2.06 0.00 0.00 37.83 32.36 2j4t s LYS 96 CO -0.10 0.54 0.53 0.34 0.10 0.00 0.00 175.35 176.76 2j4t s ASP 97 N -0.80 0.16 -0.31 0.03 -1.08 -0.55 -5.01 116.67 109.11 2j4t s ASP 97 Ca 0.31 -1.08 -0.02 0.00 -0.52 0.00 0.00 52.55 51.24 2j4t s ASP 97 Cb -0.20 0.64 0.12 0.00 -1.46 0.00 0.00 42.92 42.03 2j4t s ASP 97 CO 0.19 -1.26 0.18 0.12 0.52 0.00 0.00 175.17 174.92 2j4t s PHE 98 N -3.57 0.33 0.28 -5.34 5.36 -1.26 -1.25 117.98 112.54 2j4t s PHE 98 Ca 0.23 -1.02 0.02 0.00 -0.96 0.00 0.00 56.93 55.20 2j4t s PHE 98 Cb -0.01 -0.84 -0.05 0.00 -0.34 0.00 0.00 43.02 41.77 2j4t s PHE 98 CO 0.12 -0.84 0.09 1.03 -1.46 0.00 0.00 175.22 174.16 2j4t s ARG 99 N 1.82 1.50 0.20 10.12 1.81 -0.97 -4.80 118.95 128.63 2j4t s ARG 99 Ca 0.12 -1.82 -0.23 0.00 -1.72 0.00 0.00 55.73 52.08 2j4t s ARG 99 Cb -0.18 -0.41 -0.08 0.00 -0.45 0.00 0.00 34.95 33.83 2j4t s ARG 99 CO -0.25 -0.29 0.77 0.71 -0.68 0.00 0.00 175.30 175.56 2j4t s TYR 100 N -3.62 3.78 0.27 -0.53 1.51 -1.26 0.14 117.35 117.64 2j4t s TYR 100 Ca 0.37 1.54 0.10 0.00 -1.01 0.00 0.00 57.07 58.07 2j4t s TYR 100 Cb 0.08 -2.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.17 2j4t s TYR 100 CO 0.14 0.41 -0.08 0.96 -1.11 0.00 0.00 175.55 175.88 2j4t s ILE 101 N -1.35 3.03 -0.20 2.71 -4.36 -1.26 -4.93 121.20 114.84 2j4t s ILE 101 Ca 0.40 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.69 2j4t s ILE 101 Cb -0.20 -2.63 0.03 0.00 1.25 0.00 0.00 42.46 40.91 2j4t s ILE 101 CO 0.24 -0.38 -0.17 -0.69 0.24 0.00 0.00 174.94 174.17 2j4t s VAL 102 N -2.41 2.05 0.46 8.37 1.01 -1.26 -0.95 120.40 127.67 2j4t s VAL 102 Ca 0.31 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2j4t s VAL 102 Cb -0.06 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2j4t s VAL 102 CO 0.18 0.39 0.02 0.27 0.00 0.00 0.00 175.10 175.96 2j4t s ILE 103 N 1.26 1.40 -0.06 2.22 -4.36 -0.56 -1.12 121.20 119.99 2j4t s ILE 103 Ca 0.02 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.45 2j4t s ILE 103 Cb -0.15 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 2j4t s ILE 103 CO -0.11 0.00 -0.20 0.00 0.24 0.00 0.00 174.94 174.87 2j4t s ALA 104 N -2.86 2.40 0.11 2.27 0.00 0.14 -1.22 121.76 122.60 2j4t s ALA 104 Ca 0.18 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.22 2j4t s ALA 104 Cb 0.05 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 2j4t s ALA 104 CO 0.09 0.47 -0.26 0.00 0.00 0.00 0.00 175.76 176.07 2j4t s GLU 106 N -1.92 0.90 -1.62 0.00 2.02 0.92 -4.84 118.70 114.16 2j4t s GLU 106 Ca 0.14 -0.19 -0.16 0.00 0.02 0.00 0.00 54.97 54.78 2j4t s GLU 106 Cb -0.10 -1.54 0.12 0.00 0.10 0.00 0.00 34.13 32.71 2j4t s GLU 106 CO 0.06 -0.41 0.87 -0.25 0.02 0.00 0.00 175.26 175.54 2j4t n ASP 107 N 5.04 -3.87 0.00 -0.19 8.00 -1.26 -0.93 116.55 123.35 2j4t n ASP 107 Ca -0.09 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.50 2j4t n ASP 107 Cb 0.49 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.33 2j4t n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j4t n GLY 108 N -1.54 0.98 3.38 0.44 0.00 -1.26 -5.05 105.19 102.13 2j4t n GLY 108 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2j4t n GLY 108 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2j4t s TRP 109 N -2.82 2.47 0.33 1.61 0.52 -0.10 -4.80 118.94 116.15 2j4t s TRP 109 Ca 0.00 -0.33 -0.29 0.00 0.02 0.00 0.00 56.10 55.50 2j4t s TRP 109 Cb 0.00 -1.52 -0.10 0.00 -1.15 0.00 0.00 33.47 30.69 2j4t s TRP 109 CO 0.00 0.08 1.30 -2.14 0.02 0.00 0.00 176.95 176.21 2j4t s PRO 110 N -0.80 4.37 0.00 4.98 0.02 -1.26 -0.06 135.00 142.25 2j4t s PRO 110 Ca 0.11 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2j4t s PRO 110 Cb -0.10 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2j4t s PRO 110 CO 0.00 -0.17 0.00 1.33 -0.33 0.00 0.00 177.00 177.83 2j4t n VAL 111 N 0.81 0.00 -3.72 3.83 0.24 0.38 -4.36 118.33 115.50 2j4t n VAL 111 Ca -0.00 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.34 62.12 2j4t n VAL 111 Cb 0.42 0.50 -0.09 0.00 -1.47 0.00 0.00 33.84 33.19 2j4t n VAL 111 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2j4t s HIS 112 N -0.29 -0.39 -0.14 6.34 5.65 -1.11 -4.71 115.29 120.64 2j4t s HIS 112 Ca 0.00 0.86 -0.01 0.00 0.25 0.00 0.00 55.06 56.16 2j4t s HIS 112 Cb 0.00 0.16 -0.01 0.00 -1.18 0.00 0.00 32.58 31.54 2j4t s HIS 112 CO 0.00 -0.30 -0.12 0.12 -0.65 0.00 0.00 174.74 173.79 2j4t s PHE 113 N -0.36 2.84 -0.61 3.88 5.36 -1.26 0.24 117.98 128.07 2j4t s PHE 113 Ca -0.05 -0.68 -0.22 0.00 -0.96 0.00 0.00 56.93 55.01 2j4t s PHE 113 Cb -0.03 -1.88 0.06 0.00 -0.34 0.00 0.00 43.02 40.82 2j4t s PHE 113 CO 0.02 -0.25 0.91 0.34 -1.46 0.00 0.00 175.22 174.77 2j4t s ASP 114 N 0.50 6.23 0.34 6.13 2.15 -0.28 -4.91 116.67 126.83 2j4t s ASP 114 Ca -0.08 -0.81 0.10 0.00 0.43 0.00 0.00 52.55 52.19 2j4t s ASP 114 Cb -0.16 -2.40 0.59 0.00 -0.30 0.00 0.00 42.92 40.65 2j4t s ASP 114 CO 0.04 -1.30 1.76 -0.33 -0.17 0.00 0.00 175.17 175.17 2j4t h GLU 115 N 9.41 0.07 0.00 4.34 4.39 -1.98 -3.18 114.58 127.63 2j4t h GLU 115 Ca -0.28 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.34 2j4t h GLU 115 Cb 1.07 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 2j4t h GLU 115 CO 1.12 0.48 -0.24 0.66 -1.16 0.00 0.00 179.01 179.87 2j4t h SER 116 N 0.06 0.00 0.20 1.42 4.64 -1.98 -3.01 113.55 114.88 2j4t h SER 116 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 2j4t h SER 116 Cb 0.76 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2j4t h SER 116 CO 0.06 0.24 -0.13 0.15 -0.87 0.00 0.00 176.83 176.28 2j4t h PHE 117 N 0.00 0.00 -0.35 4.77 3.57 -1.95 -2.52 116.94 120.45 2j4t h PHE 117 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2j4t h PHE 117 Cb 0.59 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2j4t h PHE 117 CO 0.00 0.13 0.00 0.44 -2.23 0.00 0.00 178.31 176.65 2j4t n ILE 118 N -4.05 1.95 -0.25 1.41 -5.35 -1.14 -4.60 119.36 107.33 2j4t n ILE 118 Ca -0.02 -1.54 -0.02 0.00 -0.27 0.00 0.00 62.75 60.89 2j4t n ILE 118 Cb 0.21 -0.02 0.16 0.00 -1.74 0.00 0.00 39.64 38.25 2j4t n ILE 118 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2j4t h SER 119 N 2.31 0.96 -0.01 7.28 4.64 -1.47 -3.52 113.55 123.73 2j4t h SER 119 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2j4t h SER 119 Cb 1.31 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2j4t h SER 119 CO 0.19 0.79 0.00 -0.81 -0.87 0.00 0.00 176.83 176.13