#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 0.88 0.00 1.20 5.08 -2.02 -2.82 114.58 116.90 2j4t h GLU 3 Ca 0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2j4t h GLU 3 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2j4t h GLU 3 CO 0.00 0.86 -0.16 2.89 -1.00 0.00 0.00 179.01 181.59 2j4t n ARG 4 N -4.38 0.08 0.04 2.33 1.85 -1.26 -3.22 116.66 112.10 2j4t n ARG 4 Ca 0.02 0.05 -0.14 0.00 -1.00 0.00 0.00 57.85 56.78 2j4t n ARG 4 Cb 0.26 -1.58 -0.03 0.00 -1.05 0.00 0.00 32.46 30.05 2j4t n ARG 4 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 2j4t h TYR 5 N 0.00 0.74 -0.54 2.89 3.20 -1.73 -2.86 116.97 118.67 2j4t h TYR 5 Ca 0.00 -0.36 -0.06 0.00 3.14 0.00 0.00 58.73 61.45 2j4t h TYR 5 Cb 0.57 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 2j4t h TYR 5 CO 0.00 1.16 0.11 0.93 -1.64 0.00 0.00 178.16 178.72 2j4t h GLU 6 N 0.33 0.89 -0.89 1.82 4.39 -1.48 -2.01 114.58 117.63 2j4t h GLU 6 Ca -0.06 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.42 2j4t h GLU 6 Cb 1.46 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.96 2j4t h GLU 6 CO 0.15 0.85 0.59 -0.22 -1.16 0.00 0.00 179.01 179.22 2j4t h LYS 7 N 0.78 1.15 -0.36 2.33 3.64 -1.58 0.78 116.57 123.31 2j4t h LYS 7 Ca 0.17 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2j4t h LYS 7 Cb 0.38 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2j4t h LYS 7 CO 0.01 0.76 0.24 0.35 -2.27 0.00 0.00 179.45 178.53 2j4t h PHE 8 N 1.19 0.45 -0.45 1.91 3.57 -1.20 -0.07 116.94 122.34 2j4t h PHE 8 Ca 0.33 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 2j4t h PHE 8 Cb -0.11 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.46 2j4t h PHE 8 CO -0.00 0.28 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.19 2j4t h LEU 9 N 0.48 0.79 -0.26 0.59 3.38 -0.67 0.21 115.31 119.83 2j4t h LEU 9 Ca 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2j4t h LEU 9 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2j4t h LEU 9 CO -0.03 0.91 0.14 -0.09 0.09 0.00 0.00 178.44 179.46 2j4t h ARG 10 N 0.72 0.37 0.10 1.13 2.43 -0.36 -2.76 114.38 116.02 2j4t h ARG 10 Ca 0.12 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 58.96 2j4t h ARG 10 Cb 0.58 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2j4t h ARG 10 CO 0.04 0.34 -1.39 1.96 -1.51 0.00 0.00 179.97 179.40 2j4t h GLN 11 N 0.31 0.21 0.00 0.20 4.20 -0.85 -3.42 115.11 115.76 2j4t h GLN 11 Ca 0.09 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2j4t h GLN 11 Cb 0.08 0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2j4t h GLN 11 CO -0.01 1.10 -0.09 0.72 -0.67 0.00 0.00 178.83 179.88 2j4t n HIS 12 N -3.44 0.00 -3.94 2.96 8.25 0.73 -4.63 115.22 115.14 2j4t n HIS 12 Ca -0.12 -0.69 -0.29 0.00 -0.26 0.00 0.00 57.72 56.36 2j4t n HIS 12 Cb 1.03 -0.11 -0.16 0.00 1.12 0.00 0.00 29.99 31.87 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 -1.90 2.01 -0.27 4.41 5.04 -1.04 -1.10 117.35 124.50 2j4t s TYR 13 Ca 0.19 -1.28 -0.03 0.00 -2.44 0.00 0.00 57.07 53.50 2j4t s TYR 13 Cb 0.17 -1.46 0.09 0.00 0.35 0.00 0.00 41.96 41.11 2j4t s TYR 13 CO 0.02 -0.67 0.11 0.34 -1.34 0.00 0.00 175.55 174.01 2j4t s ASP 14 N 1.53 3.45 0.10 4.32 2.15 -0.87 -4.87 116.67 122.49 2j4t s ASP 14 Ca 0.00 -1.25 -0.25 0.00 0.43 0.00 0.00 52.55 51.49 2j4t s ASP 14 Cb -0.15 -0.45 -0.10 0.00 -0.30 0.00 0.00 42.92 41.91 2j4t s ASP 14 CO -0.08 -0.42 1.69 0.00 -0.17 0.00 0.00 175.17 176.19 2j4t h ALA 15 N 8.34 -0.20 -2.94 3.66 0.00 -1.79 -3.36 119.26 122.97 2j4t h ALA 15 Ca -0.18 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.10 2j4t h ALA 15 Cb 1.03 0.20 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 2j4t h ALA 15 CO 0.42 -0.64 -0.73 0.15 0.00 0.00 0.00 179.25 178.45 2j4t s LYS 16 N -6.14 1.54 0.62 0.00 1.02 -1.26 -4.11 119.74 111.40 2j4t s LYS 16 Ca -0.14 -2.36 -0.16 0.00 0.02 0.00 0.00 55.97 53.32 2j4t s LYS 16 Cb 0.07 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.86 2j4t s LYS 16 CO 0.66 -1.22 1.11 -1.25 -0.92 0.00 0.00 175.35 173.73 2j4t s PRO 17 N -0.14 3.01 -0.09 -1.68 0.04 -1.26 -5.06 135.00 129.83 2j4t s PRO 17 Ca 0.22 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.71 2j4t s PRO 17 Cb -0.15 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.42 2j4t s PRO 17 CO -0.07 -1.09 -0.14 -1.14 0.04 0.00 0.00 177.00 174.61 2j4t s GLN 18 N -3.87 1.97 0.00 4.56 -0.44 -1.26 -4.83 119.66 115.79 2j4t s GLN 18 Ca 0.68 -0.49 0.00 0.00 -2.50 0.00 0.00 55.36 53.05 2j4t s GLN 18 Cb -0.21 -1.65 0.00 0.00 -1.64 0.00 0.00 33.01 29.51 2j4t s GLN 18 CO 0.37 -0.01 0.00 0.41 0.50 0.00 0.00 175.29 176.56 2j4t n GLY 19 N 4.00 1.57 3.64 2.59 0.00 -1.26 -4.61 105.19 111.12 2j4t n GLY 19 Ca -0.20 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.55 -1.05 1.61 1.74 -1.26 -4.93 116.66 109.22 2j4t n ARG 20 Ca 0.00 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2j4t n ARG 20 Cb 0.00 -5.19 0.00 0.00 -1.02 0.00 0.00 32.46 26.25 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 -2.43 1.64 -0.15 0.55 5.75 -1.26 -4.77 116.55 115.87 2j4t n ASP 21 Ca 0.02 -0.58 -0.03 0.00 -0.01 0.00 0.00 54.79 54.19 2j4t n ASP 21 Cb 0.52 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.68 2j4t n ASP 21 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2j4t h ASP 22 N 0.00 0.01 -0.33 -1.12 5.19 -1.90 -2.03 116.42 116.25 2j4t h ASP 22 Ca 0.00 0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 56.44 2j4t h ASP 22 Cb 0.00 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 2j4t h ASP 22 CO 0.00 0.04 0.02 0.03 -3.12 0.00 0.00 179.24 176.21 2j4t h ARG 23 N 0.24 0.66 -0.54 3.56 3.08 -1.96 -1.52 114.38 117.90 2j4t h ARG 23 Ca 0.24 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.17 2j4t h ARG 23 Cb 0.32 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 2j4t h ARG 23 CO -0.31 0.67 0.31 -0.92 -1.07 0.00 0.00 179.97 178.64 2j4t h TYR 24 N 0.63 0.57 -0.29 3.04 3.20 -1.69 -1.39 116.97 121.05 2j4t h TYR 24 Ca 0.13 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2j4t h TYR 24 Cb 0.36 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2j4t h TYR 24 CO 0.02 0.31 0.10 0.00 -1.64 0.00 0.00 178.16 176.94 2j4t h GLU 26 N 0.31 0.00 0.10 0.00 5.08 -1.02 0.10 114.58 119.15 2j4t h GLU 26 Ca 0.09 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.14 2j4t h GLU 26 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2j4t h GLU 26 CO -0.00 0.21 -1.66 0.66 -1.00 0.00 0.00 179.01 177.21 2j4t h SER 27 N 0.00 0.34 -0.23 1.42 4.64 -1.14 -3.12 113.55 115.46 2j4t h SER 27 Ca -0.00 -0.56 -0.08 0.00 -0.47 0.00 0.00 61.79 60.68 2j4t h SER 27 Cb 0.59 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2j4t h SER 27 CO 0.03 1.48 -0.15 0.24 -0.87 0.00 0.00 176.83 177.55 2j4t h MET 28 N 0.06 0.52 -0.72 4.77 2.86 -0.78 0.42 114.93 122.05 2j4t h MET 28 Ca -0.29 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.07 2j4t h MET 28 Cb 2.02 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.64 2j4t h MET 28 CO 0.13 0.81 0.31 0.52 1.06 0.00 0.00 176.91 179.75 2j4t h MET 29 N 0.23 1.04 0.18 1.72 2.07 -0.95 0.86 114.93 120.08 2j4t h MET 29 Ca 0.05 -0.16 -0.01 0.00 -2.07 0.00 0.00 59.70 57.51 2j4t h MET 29 Cb 0.68 -0.18 0.00 0.00 -1.87 0.00 0.00 31.60 30.22 2j4t h MET 29 CO 0.04 0.83 -0.08 -0.22 1.07 0.00 0.00 176.91 178.55 2j4t h LYS 30 N 1.03 -0.23 -0.92 1.72 3.64 -1.48 -0.81 116.57 119.53 2j4t h LYS 30 Ca 0.24 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.76 2j4t h LYS 30 Cb 0.16 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 2j4t h LYS 30 CO -0.03 0.12 0.54 0.93 -2.27 0.00 0.00 179.45 178.75 2j4t h GLU 31 N -0.62 0.82 -0.16 1.90 5.08 -0.60 -0.99 114.58 120.01 2j4t h GLU 31 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2j4t h GLU 31 Cb 0.46 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2j4t h GLU 31 CO 0.04 0.54 0.00 0.54 -1.00 0.00 0.00 179.01 179.13 2j4t n ARG 32 N -4.72 1.47 -3.19 2.33 5.12 0.27 -4.93 116.66 113.01 2j4t n ARG 32 Ca 0.17 -0.72 -0.14 0.00 -1.93 0.00 0.00 57.85 55.23 2j4t n ARG 32 Cb 0.36 -1.26 0.07 0.00 -1.16 0.00 0.00 32.46 30.47 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 0.00 -2.99 -0.47 5.56 5.02 -0.38 -4.86 118.16 120.06 2j4t n LYS 33 Ca 0.11 0.81 0.06 0.00 -2.02 0.00 0.00 58.31 57.28 2j4t n LYS 33 Cb 0.20 -5.59 0.11 0.00 -0.02 0.00 0.00 35.03 29.73 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 -3.30 1.76 -0.51 -0.35 4.32 -0.33 -4.77 117.00 113.82 2j4t n LEU 34 Ca -0.11 -2.70 0.06 0.00 -0.02 0.00 0.00 56.01 53.24 2j4t n LEU 34 Cb 0.62 -0.31 0.08 0.00 -1.62 0.00 0.00 43.42 42.19 2j4t n LEU 34 CO 0.56 0.75 0.49 0.35 -1.22 0.00 0.00 177.39 178.32 2j4t n THR 35 N -0.81 0.28 -3.77 -5.08 -2.24 -1.25 -1.74 114.28 99.67 2j4t n THR 35 Ca 0.12 -0.64 -0.29 0.00 -2.27 0.00 0.00 64.05 60.97 2j4t n THR 35 Cb 0.73 1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.96 3.82 1.01 3.42 1.04 -1.26 -2.69 113.70 118.08 2j4t s SER 36 Ca 0.16 -3.02 -0.06 0.00 0.48 0.00 0.00 55.95 53.51 2j4t s SER 36 Cb 0.10 -1.23 0.08 0.00 0.10 0.00 0.00 66.02 65.07 2j4t s SER 36 CO 0.15 -0.21 0.42 -0.81 0.98 0.00 0.00 173.24 173.77 2j4t n PRO 37 N 3.03 -0.61 -2.18 4.02 -0.04 -1.26 -5.05 135.00 132.91 2j4t n PRO 37 Ca 0.12 -0.65 -0.43 0.00 -0.04 0.00 0.00 63.50 62.51 2j4t n PRO 37 Cb 0.35 -0.46 -0.02 0.00 -0.04 0.00 0.00 33.50 33.33 2j4t n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j4t s LYS 39 N 4.22 4.31 0.16 0.00 2.20 -0.71 -4.93 119.74 124.98 2j4t s LYS 39 Ca 0.67 2.16 -0.22 0.00 -0.36 0.00 0.00 55.97 58.22 2j4t s LYS 39 Cb -0.26 -3.19 0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2j4t s LYS 39 CO 0.26 -0.41 1.62 0.38 -0.36 0.00 0.00 175.35 176.84 2j4t h ASP 40 N 6.07 -0.82 -4.43 1.43 3.04 -1.93 -3.39 116.42 116.39 2j4t h ASP 40 Ca -0.44 0.15 -0.12 0.00 -3.24 0.00 0.00 57.03 53.38 2j4t h ASP 40 Cb 1.21 0.40 -0.22 0.00 -1.04 0.00 0.00 39.33 39.67 2j4t h ASP 40 CO 0.83 -0.28 -0.27 0.54 -2.04 0.00 0.00 179.24 178.02 2j4t s VAL 41 N -6.07 0.03 -0.23 4.15 0.11 -1.26 -0.47 120.40 116.66 2j4t s VAL 41 Ca -0.15 -0.22 -0.14 0.00 -2.93 0.00 0.00 61.98 58.54 2j4t s VAL 41 Cb 0.13 -0.57 0.07 0.00 -1.53 0.00 0.00 36.38 34.47 2j4t s VAL 41 CO 0.68 -0.12 0.56 0.21 -3.33 0.00 0.00 175.10 173.10 2j4t s ASN 42 N -0.57 -0.73 -0.14 3.54 2.47 -0.02 -4.99 114.94 114.50 2j4t s ASN 42 Ca -0.07 1.21 -0.04 0.00 0.42 0.00 0.00 52.86 54.38 2j4t s ASN 42 Cb -0.04 1.10 -0.03 0.00 -1.45 0.00 0.00 41.25 40.84 2j4t s ASN 42 CO 0.03 -0.22 -0.00 -0.89 -3.72 0.00 0.00 177.10 172.30 2j4t s THR 43 N 1.38 4.23 -0.18 -5.21 2.01 -1.26 -0.26 115.64 116.35 2j4t s THR 43 Ca -0.09 -0.25 -0.07 0.00 0.31 0.00 0.00 61.69 61.60 2j4t s THR 43 Cb -0.06 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 2j4t s THR 43 CO -0.14 0.51 0.05 -0.36 -0.69 0.00 0.00 174.62 173.99 2j4t s PHE 44 N 0.05 3.22 -0.14 4.92 0.08 -0.62 -4.32 117.98 121.18 2j4t s PHE 44 Ca 0.02 0.03 -0.11 0.00 0.12 0.00 0.00 56.93 56.99 2j4t s PHE 44 Cb -0.13 -2.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.21 2j4t s PHE 44 CO 0.02 0.13 0.22 0.42 -0.10 0.00 0.00 175.22 175.92 2j4t s ILE 45 N 0.35 5.36 -0.30 0.64 1.01 -0.26 -1.23 121.20 126.76 2j4t s ILE 45 Ca 0.02 0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.98 2j4t s ILE 45 Cb -0.13 -3.53 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 2j4t s ILE 45 CO 0.00 0.49 0.12 -1.00 0.00 0.00 0.00 174.94 174.56 2j4t s HIS 46 N -0.16 3.16 0.00 3.97 3.76 0.15 -2.05 115.29 124.12 2j4t s HIS 46 Ca 0.15 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 2j4t s HIS 46 Cb -0.13 -2.32 0.00 0.00 1.11 0.00 0.00 32.58 31.25 2j4t s HIS 46 CO 0.03 -0.50 0.00 0.41 -0.85 0.00 0.00 174.74 173.83 2j4t n GLY 47 N 4.94 1.04 3.77 -2.22 0.00 -1.26 -3.87 105.19 107.59 2j4t n GLY 47 Ca -0.14 -1.10 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.00 2.83 0.54 2.61 -4.23 -1.26 -4.50 115.64 109.63 2j4t s THR 48 Ca 0.00 0.82 0.29 0.00 -1.18 0.00 0.00 61.69 61.62 2j4t s THR 48 Cb 0.00 -3.51 0.34 0.00 1.34 0.00 0.00 72.50 70.67 2j4t s THR 48 CO 0.00 0.18 2.20 0.07 -0.54 0.00 0.00 174.62 176.53 2j4t h LYS 49 N 3.28 0.00 -0.42 3.99 2.10 -1.99 -0.71 116.57 122.82 2j4t h LYS 49 Ca -0.49 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 2j4t h LYS 49 Cb 1.23 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 2j4t h LYS 49 CO 0.65 0.04 0.21 -0.22 -2.00 0.00 0.00 179.45 178.13 2j4t h LYS 50 N 0.00 0.59 -0.00 0.07 3.11 -1.99 -1.13 116.57 117.22 2j4t h LYS 50 Ca -0.00 -0.08 -0.16 0.00 -2.81 0.00 0.00 60.65 57.61 2j4t h LYS 50 Cb 0.11 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 2j4t h LYS 50 CO 0.01 0.50 -0.74 -0.91 -2.81 0.00 0.00 179.45 175.49 2j4t h ASN 51 N 0.54 0.01 -0.14 4.20 2.35 -1.52 -2.39 115.58 118.62 2j4t h ASN 51 Ca 0.15 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 2j4t h ASN 51 Cb 0.09 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 2j4t h ASN 51 CO -0.02 0.75 -0.02 0.40 -1.65 0.00 0.00 177.43 176.88 2j4t h ILE 52 N 0.01 1.28 0.00 2.81 2.04 -1.18 -2.71 117.51 119.75 2j4t h ILE 52 Ca -0.01 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 2j4t h ILE 52 Cb 1.31 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2j4t h ILE 52 CO 0.10 0.28 -0.12 0.03 0.00 0.00 0.00 178.15 178.43 2j4t h ARG 53 N -0.02 0.00 0.00 2.37 3.08 -1.21 -2.07 114.38 116.53 2j4t h ARG 53 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2j4t h ARG 53 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2j4t h ARG 53 CO 0.01 0.12 0.00 0.00 -1.07 0.00 0.00 179.97 179.04 2j4t h ALA 54 N 1.88 1.00 0.00 0.04 0.00 -1.09 -1.56 119.26 119.52 2j4t h ALA 54 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2j4t h ALA 54 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2j4t h ALA 54 CO 0.02 0.00 -0.20 0.82 0.00 0.00 0.00 179.25 179.89 2j4t h ILE 55 N 0.00 0.80 0.00 0.00 2.04 -1.33 0.24 117.51 119.26 2j4t h ILE 55 Ca 0.00 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2j4t h ILE 55 Cb 0.30 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2j4t h ILE 55 CO 0.00 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.34 2j4t n GLY 57 N 0.89 2.20 0.28 0.00 0.00 0.67 -4.80 105.19 104.43 2j4t n GLY 57 Ca 0.05 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.16 2j4t n GLY 57 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2j4t h LYS 58 N 0.00 0.00 -0.87 1.61 2.10 -1.85 -2.72 116.57 114.83 2j4t h LYS 58 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.36 2j4t h LYS 58 Cb 0.00 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.16 2j4t h LYS 58 CO 0.00 0.07 0.37 0.36 -2.00 0.00 0.00 179.45 178.25 2j4t n LYS 59 N -3.58 2.91 -4.04 0.07 2.85 -0.22 -4.93 118.16 111.22 2j4t n LYS 59 Ca -0.02 -2.66 -0.11 0.00 -1.05 0.00 0.00 58.31 54.46 2j4t n LYS 59 Cb 0.18 -2.08 -0.05 0.00 -0.65 0.00 0.00 35.03 32.43 2j4t n LYS 59 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2j4t s GLY 60 N -0.88 0.94 0.02 2.58 0.00 -1.03 -2.73 107.32 106.22 2j4t s GLY 60 Ca 0.49 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 44.04 2j4t s GLY 60 CO 0.11 -0.83 -0.04 -0.56 0.00 0.00 0.00 173.10 171.78 2j4t s SER 61 N -3.11 0.41 0.32 1.64 0.01 -0.00 -4.86 113.70 108.10 2j4t s SER 61 Ca 0.27 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 2j4t s SER 61 Cb 0.00 0.07 -0.10 0.00 0.21 0.00 0.00 66.02 66.20 2j4t s SER 61 CO 0.13 -0.25 1.41 -2.16 0.41 0.00 0.00 173.24 172.78 2j4t s PRO 62 N -1.39 4.25 -0.48 12.44 0.04 -1.26 -0.27 135.00 148.33 2j4t s PRO 62 Ca -0.13 2.36 0.08 0.00 0.04 0.00 0.00 61.00 63.35 2j4t s PRO 62 Cb -0.09 -3.05 0.29 0.00 0.04 0.00 0.00 34.50 31.69 2j4t s PRO 62 CO -0.01 -0.37 0.71 0.98 0.04 0.00 0.00 177.00 178.35 2j4t n TYR 63 N 1.24 1.59 0.00 0.56 -0.00 0.20 -4.70 117.16 116.05 2j4t n TYR 63 Ca 0.03 -3.85 0.00 0.00 -0.00 0.00 0.00 57.90 54.07 2j4t n TYR 63 Cb 0.40 -0.44 0.00 0.00 -0.00 0.00 0.00 39.34 39.30 2j4t n TYR 63 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2j4t n GLY 64 N 0.66 -2.90 0.18 2.98 0.00 -1.26 -3.98 105.19 100.88 2j4t n GLY 64 Ca 0.26 -2.18 0.03 0.00 0.00 0.00 0.00 46.02 44.13 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 2.56 0.00 0.00 1.61 4.39 -2.03 -3.34 114.58 117.77 2j4t h GLU 65 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2j4t h GLU 65 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2j4t h GLU 65 CO 0.00 0.42 -0.44 0.09 -1.16 0.00 0.00 179.01 177.92 2j4t n ASN 66 N -3.89 0.66 -4.67 1.42 3.02 -1.26 -5.06 115.26 105.48 2j4t n ASN 66 Ca -0.01 -0.59 -0.28 0.00 -0.03 0.00 0.00 54.58 53.66 2j4t n ASN 66 Cb 0.46 1.04 -0.10 0.00 -0.61 0.00 0.00 39.78 40.57 2j4t n ASN 66 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2j4t s PHE 67 N -1.75 2.44 0.01 3.10 0.40 -1.25 -4.33 117.98 116.59 2j4t s PHE 67 Ca 0.02 -0.69 0.03 0.00 -0.60 0.00 0.00 56.93 55.69 2j4t s PHE 67 Cb 0.05 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 2j4t s PHE 67 CO 0.29 0.35 -0.10 1.03 0.70 0.00 0.00 175.22 177.49 2j4t s ARG 68 N -3.78 0.72 -0.01 0.44 1.81 -0.12 -0.63 118.95 117.38 2j4t s ARG 68 Ca 0.33 -0.50 0.06 0.00 -1.72 0.00 0.00 55.73 53.89 2j4t s ARG 68 Cb 0.07 -0.67 -0.03 0.00 -0.45 0.00 0.00 34.95 33.88 2j4t s ARG 68 CO 0.17 0.17 -0.17 -1.50 -0.68 0.00 0.00 175.30 173.29 2j4t s ILE 69 N -0.58 2.81 0.40 1.52 2.07 0.63 -1.72 121.20 126.33 2j4t s ILE 69 Ca 0.00 -0.96 -0.25 0.00 -1.41 0.00 0.00 60.65 58.03 2j4t s ILE 69 Cb -0.06 -2.12 -0.09 0.00 0.13 0.00 0.00 42.46 40.33 2j4t s ILE 69 CO 0.00 0.49 1.15 -0.94 -1.91 0.00 0.00 174.94 173.73 2j4t s SER 70 N -1.00 6.58 0.32 4.50 1.04 -0.45 -0.82 113.70 123.87 2j4t s SER 70 Ca 0.13 2.30 0.26 0.00 0.48 0.00 0.00 55.95 59.11 2j4t s SER 70 Cb -0.10 -2.61 0.80 0.00 0.10 0.00 0.00 66.02 64.20 2j4t s SER 70 CO 0.02 -0.63 1.75 0.78 0.98 0.00 0.00 173.24 176.14 2j4t h ASN 71 N 2.65 0.00 -5.03 7.02 2.35 -1.85 -3.44 115.58 117.29 2j4t h ASN 71 Ca -0.49 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.10 2j4t h ASN 71 Cb 1.23 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.43 2j4t h ASN 71 CO 0.63 0.00 -0.69 -0.94 -1.65 0.00 0.00 177.43 174.77 2j4t s SER 72 N -5.02 0.59 0.66 5.81 1.04 -1.26 -5.10 113.70 110.42 2j4t s SER 72 Ca 0.07 -0.86 -0.13 0.00 0.48 0.00 0.00 55.95 55.51 2j4t s SER 72 Cb 0.10 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 2j4t s SER 72 CO 0.57 -0.48 1.07 -2.16 0.98 0.00 0.00 173.24 173.21 2j4t s PRO 73 N -3.21 3.00 0.12 4.02 0.04 -1.26 -4.62 135.00 133.09 2j4t s PRO 73 Ca 0.02 1.11 0.08 0.00 0.04 0.00 0.00 61.00 62.25 2j4t s PRO 73 Cb 0.02 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2j4t s PRO 73 CO -0.06 -1.06 -0.19 -0.06 0.04 0.00 0.00 177.00 175.67 2j4t s PHE 74 N -2.74 1.70 0.08 0.56 0.40 0.58 -4.88 117.98 113.69 2j4t s PHE 74 Ca 0.61 -0.45 -0.29 0.00 -0.60 0.00 0.00 56.93 56.20 2j4t s PHE 74 Cb -0.16 -0.90 -0.05 0.00 0.51 0.00 0.00 43.02 42.42 2j4t s PHE 74 CO 0.47 0.22 0.92 -0.65 0.70 0.00 0.00 175.22 176.88 2j4t s GLN 75 N -2.24 4.63 0.05 0.44 -1.52 -1.25 -2.06 119.66 117.71 2j4t s GLN 75 Ca 0.09 1.36 -0.10 0.00 -1.95 0.00 0.00 55.36 54.75 2j4t s GLN 75 Cb -0.08 -3.39 0.01 0.00 -0.22 0.00 0.00 33.01 29.33 2j4t s GLN 75 CO 0.05 0.18 0.22 0.96 -0.25 0.00 0.00 175.29 176.45 2j4t s ILE 76 N 0.16 0.11 -0.14 1.08 -4.36 -0.67 0.30 121.20 117.68 2j4t s ILE 76 Ca 0.46 -0.88 -0.01 0.00 -0.26 0.00 0.00 60.65 59.96 2j4t s ILE 76 Cb -0.22 -0.98 0.04 0.00 1.25 0.00 0.00 42.46 42.54 2j4t s ILE 76 CO 0.28 -0.48 -0.04 -0.89 0.24 0.00 0.00 174.94 174.05 2j4t s THR 77 N -2.76 0.87 -0.11 8.37 2.01 -0.37 -1.25 115.64 122.40 2j4t s THR 77 Ca -0.04 -0.40 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 2j4t s THR 77 Cb -0.00 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 2j4t s THR 77 CO -0.05 0.16 0.52 -0.89 -0.69 0.00 0.00 174.62 173.67 2j4t s THR 78 N 1.74 5.16 -0.24 -0.82 2.01 -0.08 -1.58 115.64 121.83 2j4t s THR 78 Ca 0.02 1.04 -0.06 0.00 0.31 0.00 0.00 61.69 63.00 2j4t s THR 78 Cb -0.14 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 2j4t s THR 78 CO -0.07 0.31 0.02 0.00 -0.69 0.00 0.00 174.62 174.19 2j4t s THR 80 N 1.56 2.97 0.34 0.00 2.01 -0.71 -0.84 115.64 120.97 2j4t s THR 80 Ca 0.06 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 2j4t s THR 80 Cb -0.15 -2.18 -0.09 0.00 0.01 0.00 0.00 72.50 70.09 2j4t s THR 80 CO 0.01 0.57 1.01 -2.28 -0.69 0.00 0.00 174.62 173.24 2j4t s HIS 81 N -0.37 3.52 -1.39 4.92 2.46 0.38 -1.12 115.29 123.69 2j4t s HIS 81 Ca 0.04 1.72 -0.12 0.00 0.47 0.00 0.00 55.06 57.16 2j4t s HIS 81 Cb -0.12 -3.07 0.09 0.00 -0.13 0.00 0.00 32.58 29.34 2j4t s HIS 81 CO 0.02 -0.24 2.09 0.43 -2.47 0.00 0.00 174.74 174.56 2j4t n SER 82 N 0.48 4.34 -3.52 9.88 7.64 -0.54 -4.90 113.62 126.99 2j4t n SER 82 Ca 0.02 -2.94 -0.24 0.00 1.01 0.00 0.00 58.87 56.72 2j4t n SER 82 Cb 0.49 -1.60 -0.15 0.00 -1.01 0.00 0.00 64.21 61.94 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 5.35 0.00 0.00 1.43 3.00 -1.26 -4.48 116.66 120.70 2j4t n ARG 83 Ca 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.31 2j4t n ARG 83 Cb 0.38 -0.96 0.00 0.00 0.00 0.00 0.00 32.46 31.88 2j4t n ARG 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2j4t n GLY 84 N 4.67 2.62 0.71 -0.13 0.00 -1.26 -5.06 105.19 106.74 2j4t n GLY 84 Ca 0.52 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.33 0.00 1.61 7.64 -1.26 -4.89 113.62 115.39 2j4t n SER 85 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2j4t n SER 85 Cb 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2j4t n SER 85 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2j4t n PRO 86 N -0.71 0.00 -1.67 1.43 -0.02 -1.26 -4.65 135.00 128.12 2j4t n PRO 86 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 2j4t n PRO 86 Cb 0.33 -1.30 -0.01 0.00 -0.02 0.00 0.00 33.50 32.50 2j4t n PRO 86 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2j4t n TRP 87 N -0.73 2.04 0.00 6.00 -0.00 -1.26 -4.79 117.44 118.71 2j4t n TRP 87 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 57.50 58.09 2j4t n TRP 87 Cb 0.00 -2.38 0.00 0.00 -0.00 0.00 0.00 31.31 28.93 2j4t n TRP 87 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 2j4t n PRO 88 N 0.62 0.00 -2.16 5.87 -0.02 -1.26 -3.92 135.00 134.13 2j4t n PRO 88 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 2j4t n PRO 88 Cb 0.35 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.80 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 -1.19 3.25 -0.18 0.52 0.04 -1.26 -4.95 135.00 131.24 2j4t s PRO 89 Ca 0.00 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 2j4t s PRO 89 Cb 0.00 -4.18 -0.00 0.00 0.04 0.00 0.00 34.50 30.36 2j4t s PRO 89 CO 0.00 -1.96 1.06 0.00 0.04 0.00 0.00 177.00 176.13 2j4t s GLY 91 N 1.25 2.74 0.00 0.00 0.00 -1.26 -4.88 107.32 105.18 2j4t s GLY 91 Ca 0.47 0.29 -0.04 0.00 0.00 0.00 0.00 44.72 45.44 2j4t s GLY 91 CO 0.11 0.71 0.06 -0.19 0.00 0.00 0.00 173.10 173.79 2j4t s TYR 92 N -1.43 0.10 -0.02 1.90 2.02 -1.26 -1.47 117.35 117.20 2j4t s TYR 92 Ca 0.42 -0.23 0.08 0.00 -0.37 0.00 0.00 57.07 56.97 2j4t s TYR 92 Cb -0.19 -0.09 -0.02 0.00 -0.40 0.00 0.00 41.96 41.26 2j4t s TYR 92 CO 0.23 -0.21 -0.25 1.03 -1.57 0.00 0.00 175.55 174.79 2j4t s ARG 93 N -1.16 2.12 0.05 -0.62 1.81 -0.28 -4.72 118.95 116.15 2j4t s ARG 93 Ca -0.13 -0.92 -0.00 0.00 -1.72 0.00 0.00 55.73 52.96 2j4t s ARG 93 Cb -0.07 -2.07 -0.04 0.00 -0.45 0.00 0.00 34.95 32.32 2j4t s ARG 93 CO 0.00 0.56 0.19 0.00 -0.68 0.00 0.00 175.30 175.38 2j4t s ALA 94 N -0.64 3.96 -0.20 2.13 0.00 -1.26 -1.73 121.76 124.02 2j4t s ALA 94 Ca 0.10 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2j4t s ALA 94 Cb -0.10 -1.81 0.07 0.00 0.00 0.00 0.00 23.12 21.29 2j4t s ALA 94 CO -0.01 0.81 0.12 0.12 0.00 0.00 0.00 175.76 176.80 2j4t s PHE 95 N -1.46 0.16 0.16 0.00 5.36 -0.50 -4.89 117.98 116.80 2j4t s PHE 95 Ca 0.33 -0.38 -0.26 0.00 -0.96 0.00 0.00 56.93 55.66 2j4t s PHE 95 Cb -0.13 -0.70 -0.08 0.00 -0.34 0.00 0.00 43.02 41.78 2j4t s PHE 95 CO 0.26 -0.60 0.82 0.15 -1.46 0.00 0.00 175.22 174.39 2j4t s LYS 96 N 2.16 4.62 0.24 10.12 1.02 -1.26 -0.90 119.74 135.73 2j4t s LYS 96 Ca 0.04 1.23 -0.11 0.00 0.02 0.00 0.00 55.97 57.14 2j4t s LYS 96 Cb -0.16 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2j4t s LYS 96 CO -0.16 0.50 0.44 0.34 -0.92 0.00 0.00 175.35 175.55 2j4t s ASP 97 N -0.92 -0.06 -0.25 2.83 -1.08 -0.38 -5.00 116.67 111.82 2j4t s ASP 97 Ca 0.38 -0.99 -0.03 0.00 -0.52 0.00 0.00 52.55 51.39 2j4t s ASP 97 Cb -0.23 0.56 0.08 0.00 -1.46 0.00 0.00 42.92 41.87 2j4t s ASP 97 CO 0.27 -1.11 0.08 0.12 0.52 0.00 0.00 175.17 175.06 2j4t s PHE 98 N -4.03 0.94 0.13 -5.34 5.36 -1.26 -1.67 117.98 112.12 2j4t s PHE 98 Ca 0.24 -1.04 -0.06 0.00 -0.96 0.00 0.00 56.93 55.11 2j4t s PHE 98 Cb 0.00 -1.15 -0.02 0.00 -0.34 0.00 0.00 43.02 41.52 2j4t s PHE 98 CO 0.09 -0.73 0.18 1.03 -1.46 0.00 0.00 175.22 174.33 2j4t s ARG 99 N 1.88 0.99 0.28 10.12 1.81 -0.87 -4.86 118.95 128.30 2j4t s ARG 99 Ca 0.05 -1.21 -0.28 0.00 -1.72 0.00 0.00 55.73 52.56 2j4t s ARG 99 Cb -0.17 0.32 -0.09 0.00 -0.45 0.00 0.00 34.95 34.56 2j4t s ARG 99 CO -0.20 -0.32 0.97 0.71 -0.68 0.00 0.00 175.30 175.78 2j4t s TYR 100 N -3.97 3.80 0.25 -0.53 1.51 -1.26 -0.31 117.35 116.85 2j4t s TYR 100 Ca 0.16 1.83 0.11 0.00 -1.01 0.00 0.00 57.07 58.17 2j4t s TYR 100 Cb 0.05 -3.01 -0.05 0.00 -0.11 0.00 0.00 41.96 38.84 2j4t s TYR 100 CO -0.02 0.19 -0.18 0.96 -1.11 0.00 0.00 175.55 175.39 2j4t s ILE 101 N -1.34 2.62 -0.09 2.71 -4.36 -1.26 -4.90 121.20 114.58 2j4t s ILE 101 Ca 0.45 -2.19 0.04 0.00 -0.26 0.00 0.00 60.65 58.69 2j4t s ILE 101 Cb -0.24 -2.34 -0.00 0.00 1.25 0.00 0.00 42.46 41.13 2j4t s ILE 101 CO 0.30 -0.30 -0.23 -0.69 0.24 0.00 0.00 174.94 174.27 2j4t s VAL 102 N -2.20 1.95 0.17 8.37 1.01 -1.26 -1.33 120.40 127.11 2j4t s VAL 102 Ca 0.27 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 2j4t s VAL 102 Cb -0.06 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2j4t s VAL 102 CO 0.14 0.54 0.08 0.27 0.00 0.00 0.00 175.10 176.13 2j4t s ILE 103 N 0.26 0.19 -0.10 2.22 -4.36 -0.70 -1.44 121.20 117.27 2j4t s ILE 103 Ca -0.15 -1.96 -0.00 0.00 -0.26 0.00 0.00 60.65 58.28 2j4t s ILE 103 Cb -0.17 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 2j4t s ILE 103 CO 0.07 -0.26 -0.07 0.00 0.24 0.00 0.00 174.94 174.92 2j4t s ALA 104 N -4.00 2.93 0.02 2.27 0.00 0.38 -0.94 121.76 122.41 2j4t s ALA 104 Ca 0.31 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.46 2j4t s ALA 104 Cb 0.07 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 2j4t s ALA 104 CO 0.07 0.44 -0.18 0.00 0.00 0.00 0.00 175.76 176.08 2j4t s GLU 106 N -1.21 1.76 -0.96 0.00 2.56 0.29 -4.80 118.70 116.33 2j4t s GLU 106 Ca 0.13 -1.78 -0.12 0.00 0.00 0.00 0.00 54.97 53.20 2j4t s GLU 106 Cb -0.10 -3.30 0.01 0.00 2.00 0.00 0.00 34.13 32.73 2j4t s GLU 106 CO 0.04 -0.94 0.65 -0.40 -0.56 0.00 0.00 175.26 174.05 2j4t n ASP 107 N 4.40 -4.84 0.00 -1.70 5.75 -1.26 -1.82 116.55 117.08 2j4t n ASP 107 Ca -0.00 -1.02 0.00 0.00 -0.01 0.00 0.00 54.79 53.75 2j4t n ASP 107 Cb 0.42 -1.99 0.00 0.00 -1.03 0.00 0.00 41.12 38.52 2j4t n ASP 107 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2j4t n GLY 108 N -1.80 0.83 3.14 6.12 0.00 -1.26 -5.03 105.19 107.19 2j4t n GLY 108 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.31 1.97 0.08 1.61 0.52 -0.76 -4.89 118.94 114.17 2j4t s TRP 109 Ca 0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 56.10 55.10 2j4t s TRP 109 Cb 0.00 -1.35 -0.06 0.00 -1.15 0.00 0.00 33.47 30.91 2j4t s TRP 109 CO 0.00 -0.30 1.14 -1.25 0.02 0.00 0.00 176.95 176.56 2j4t s PRO 110 N 0.35 4.49 0.00 4.98 0.04 -1.26 0.10 135.00 143.70 2j4t s PRO 110 Ca -0.13 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2j4t s PRO 110 Cb -0.15 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2j4t s PRO 110 CO 0.05 -0.14 0.00 1.33 0.04 0.00 0.00 177.00 178.28 2j4t n VAL 111 N 3.54 0.00 -3.83 -0.36 0.24 -0.11 -4.49 118.33 113.33 2j4t n VAL 111 Ca 0.07 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.14 2j4t n VAL 111 Cb 0.47 0.54 -0.13 0.00 -1.47 0.00 0.00 33.84 33.26 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 -0.86 -0.14 -0.16 6.34 5.65 -1.15 -4.72 115.29 120.24 2j4t s HIS 112 Ca 0.00 0.35 -0.01 0.00 0.25 0.00 0.00 55.06 55.65 2j4t s HIS 112 Cb 0.00 0.04 -0.01 0.00 -1.18 0.00 0.00 32.58 31.44 2j4t s HIS 112 CO 0.00 -0.07 -0.12 0.12 -0.65 0.00 0.00 174.74 174.02 2j4t s PHE 113 N 0.10 2.83 -0.65 3.88 5.36 -1.26 -0.47 117.98 127.76 2j4t s PHE 113 Ca -0.00 -0.90 -0.23 0.00 -0.96 0.00 0.00 56.93 54.84 2j4t s PHE 113 Cb -0.01 -1.92 0.06 0.00 -0.34 0.00 0.00 43.02 40.81 2j4t s PHE 113 CO 0.00 -0.40 1.00 0.34 -1.46 0.00 0.00 175.22 174.69 2j4t s ASP 114 N 0.80 6.19 0.51 6.13 2.15 -0.52 -4.88 116.67 127.04 2j4t s ASP 114 Ca -0.05 -0.84 0.27 0.00 0.43 0.00 0.00 52.55 52.36 2j4t s ASP 114 Cb -0.15 -2.44 1.38 0.00 -0.30 0.00 0.00 42.92 41.41 2j4t s ASP 114 CO 0.01 -1.46 2.04 -0.33 -0.17 0.00 0.00 175.17 175.25 2j4t h GLU 115 N 9.59 0.00 -0.12 4.34 4.39 -1.98 -3.11 114.58 127.69 2j4t h GLU 115 Ca -0.28 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.24 2j4t h GLU 115 Cb 1.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2j4t h GLU 115 CO 1.18 0.13 -0.66 0.66 -1.16 0.00 0.00 179.01 179.17 2j4t h SER 116 N 0.00 0.54 -0.44 1.42 4.64 -1.98 -3.10 113.55 114.63 2j4t h SER 116 Ca -0.00 -0.33 0.07 0.00 -0.47 0.00 0.00 61.79 61.06 2j4t h SER 116 Cb 0.39 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2j4t h SER 116 CO 0.02 1.05 0.30 0.15 -0.87 0.00 0.00 176.83 177.48 2j4t h PHE 117 N 0.34 0.30 -0.40 4.77 3.04 -1.94 -1.90 116.94 121.16 2j4t h PHE 117 Ca -0.02 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 2j4t h PHE 117 Cb 1.22 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.61 2j4t h PHE 117 CO 0.05 0.16 0.02 0.44 -2.02 0.00 0.00 178.31 176.96 2j4t n ILE 118 N -4.47 2.50 0.00 1.41 -5.35 -1.20 -4.77 119.36 107.48 2j4t n ILE 118 Ca 0.06 -1.78 0.00 0.00 -0.27 0.00 0.00 62.75 60.76 2j4t n ILE 118 Cb 0.29 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 2j4t n ILE 118 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2j4t n SER 119 N -0.20 0.00 0.00 7.28 7.64 -0.71 -5.11 113.62 122.51 2j4t n SER 119 Ca 0.26 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.70 2j4t n SER 119 Cb 1.03 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2j4t n SER 119 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38