#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jhb s SER 2 N 0.00 6.81 -0.43 1.61 0.01 -1.26 -4.92 113.70 115.52 2jhb s SER 2 Ca 0.00 1.50 0.08 0.00 1.31 0.00 0.00 55.95 58.84 2jhb s SER 2 Cb 0.00 -2.54 0.26 0.00 0.21 0.00 0.00 66.02 63.95 2jhb s SER 2 CO 0.00 -0.91 0.59 1.15 0.41 0.00 0.00 173.24 174.48 2jhb n MET 3 N 6.94 1.10 -0.03 12.44 -0.00 -1.26 -5.09 117.12 131.22 2jhb n MET 3 Ca 0.14 -3.51 0.00 0.00 -0.00 0.00 0.00 57.70 54.33 2jhb n MET 3 Cb 0.46 -1.46 0.00 0.00 -0.00 0.00 0.00 33.22 32.22 2jhb n MET 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2jhb n PRO 4 N 1.16 0.20 0.00 3.17 -0.04 -1.26 -4.33 135.00 133.89 2jhb n PRO 4 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2jhb n PRO 4 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2jhb n PRO 4 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jhb n ARG 5 N -0.84 0.00 -4.08 0.54 5.12 -1.26 -4.82 116.66 111.32 2jhb n ARG 5 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 2jhb n ARG 5 Cb 0.00 -1.70 -0.08 0.00 -1.16 0.00 0.00 32.46 29.51 2jhb n ARG 5 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2jhb s VAL 6 N -0.23 0.05 0.39 1.55 -7.23 -1.26 -4.33 120.40 109.34 2jhb s VAL 6 Ca 0.00 -1.69 0.05 0.00 -1.81 0.00 0.00 61.98 58.53 2jhb s VAL 6 Cb 0.00 -2.13 -0.07 0.00 0.56 0.00 0.00 36.38 34.74 2jhb s VAL 6 CO 0.00 -0.21 0.03 0.68 -0.31 0.00 0.00 175.10 175.29 2jhb s VAL 7 N -4.05 1.65 0.00 1.32 -7.23 -0.06 -4.63 120.40 107.40 2jhb s VAL 7 Ca 0.26 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 2jhb s VAL 7 Cb 0.05 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 34.14 2jhb s VAL 7 CO 0.05 0.00 0.41 -0.81 -0.31 0.00 0.00 175.10 174.44 2jhb n PRO 8 N -0.91 0.00 -2.08 4.82 -0.04 -1.26 -4.18 135.00 131.35 2jhb n PRO 8 Ca -0.05 0.44 -0.42 0.00 -0.04 0.00 0.00 63.50 63.42 2jhb n PRO 8 Cb 0.67 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 2jhb n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2jhb n ASP 9 N -1.83 4.33 -0.37 3.54 -0.08 -1.26 -4.75 116.55 116.13 2jhb n ASP 9 Ca 0.00 -2.89 -0.01 0.00 -1.51 0.00 0.00 54.79 50.38 2jhb n ASP 9 Cb 0.00 -1.67 0.13 0.00 2.34 0.00 0.00 41.12 41.91 2jhb n ASP 9 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2jhb h GLN 10 N 6.52 1.29 -0.33 -0.67 4.20 -1.89 -0.55 115.11 123.68 2jhb h GLN 10 Ca 0.51 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 59.05 2jhb h GLN 10 Cb 0.72 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 2jhb h GLN 10 CO 1.72 0.85 -0.18 -0.09 -0.67 0.00 0.00 178.83 180.46 2jhb h ARG 11 N 1.32 0.59 -0.27 1.46 9.65 -1.96 0.31 114.38 125.49 2jhb h ARG 11 Ca 0.38 -0.20 -0.19 0.00 -1.10 0.00 0.00 59.98 58.86 2jhb h ARG 11 Cb -0.11 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.43 2jhb h ARG 11 CO -0.09 0.74 -0.58 1.03 2.80 0.00 0.00 179.97 183.86 2jhb h SER 12 N 0.53 0.98 0.49 -3.80 0.87 -1.89 -3.13 113.55 107.62 2jhb h SER 12 Ca 0.09 -0.55 -0.08 0.00 -1.23 0.00 0.00 61.79 60.02 2jhb h SER 12 Cb 0.61 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2jhb h SER 12 CO 0.04 1.35 -0.37 0.50 -0.53 0.00 0.00 176.83 177.82 2jhb h LYS 13 N 0.66 0.00 -0.60 2.24 1.63 -0.62 0.19 116.57 120.07 2jhb h LYS 13 Ca 0.00 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.95 2jhb h LYS 13 Cb 1.20 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.80 2jhb h LYS 13 CO 0.13 0.37 0.42 0.35 -3.45 0.00 0.00 179.45 177.27 2jhb h PHE 14 N 0.00 0.17 0.07 1.91 3.57 -0.34 0.83 116.94 123.16 2jhb h PHE 14 Ca -0.00 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.15 2jhb h PHE 14 Cb 0.72 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 2jhb h PHE 14 CO 0.00 0.07 -2.00 -0.85 -2.23 0.00 0.00 178.31 173.30 2jhb n GLU 15 N -4.41 0.71 0.14 1.11 0.28 -0.63 -4.59 120.64 113.24 2jhb n GLU 15 Ca 0.11 0.24 0.11 0.00 -0.16 0.00 0.00 57.16 57.46 2jhb n GLU 15 Cb 0.57 -1.70 0.05 0.00 1.43 0.00 0.00 31.44 31.79 2jhb n GLU 15 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2jhb h ASN 16 N 0.04 0.00 -1.57 -1.84 2.35 0.05 -3.44 115.58 111.17 2jhb h ASN 16 Ca -0.41 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 54.70 2jhb h ASN 16 Cb 2.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.39 2jhb h ASN 16 CO 0.06 0.05 1.34 -0.62 -1.65 0.00 0.00 177.43 176.61 2jhb n GLU 17 N -2.85 1.58 0.31 0.81 -0.58 0.22 -4.86 120.64 115.28 2jhb n GLU 17 Ca 0.01 0.49 0.19 0.00 -0.42 0.00 0.00 57.16 57.43 2jhb n GLU 17 Cb 0.56 -2.69 1.04 0.00 -0.57 0.00 0.00 31.44 29.79 2jhb n GLU 17 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2jhb h GLU 18 N 12.03 0.00 0.38 3.49 5.08 -1.90 -1.24 114.58 132.42 2jhb h GLU 18 Ca -0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 2jhb h GLU 18 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2jhb h GLU 18 CO 0.98 0.01 -0.18 0.35 -1.00 0.00 0.00 179.01 179.17 2jhb h PHE 19 N 0.00 -0.47 -0.33 4.33 3.04 -1.97 -2.70 116.94 118.84 2jhb h PHE 19 Ca -0.00 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 2jhb h PHE 19 Cb 0.06 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 2jhb h PHE 19 CO 0.00 -0.14 0.01 0.74 -2.02 0.00 0.00 178.31 176.91 2jhb h PHE 20 N -0.89 0.52 0.00 0.41 0.04 -1.79 -2.13 116.94 113.10 2jhb h PHE 20 Ca -0.05 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 2jhb h PHE 20 Cb 0.54 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 2jhb h PHE 20 CO 0.02 0.50 -0.05 0.00 -0.60 0.00 0.00 178.31 178.19 2jhb h ARG 21 N 0.49 0.00 -0.02 1.51 2.47 -1.24 0.21 114.38 117.80 2jhb h ARG 21 Ca 0.11 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.61 2jhb h ARG 21 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2jhb h ARG 21 CO 0.01 0.05 -0.88 0.87 0.56 0.00 0.00 179.97 180.57 2jhb h LYS 22 N 0.00 0.41 0.00 0.04 1.57 -1.04 -3.31 116.57 114.24 2jhb h LYS 22 Ca -0.00 -0.41 -0.18 0.00 -1.87 0.00 0.00 60.65 58.19 2jhb h LYS 22 Cb 0.36 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2jhb h LYS 22 CO 0.01 1.07 -0.84 -0.07 -0.57 0.00 0.00 179.45 179.04 2jhb h LEU 23 N 0.24 0.08 0.00 2.94 3.38 -1.00 -3.42 115.31 117.54 2jhb h LEU 23 Ca -0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jhb h LEU 23 Cb 1.51 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2jhb h LEU 23 CO 0.15 0.88 0.00 -1.54 0.09 0.00 0.00 178.44 178.03 2jhb n SER 24 N -3.59 -0.30 -1.23 -0.43 3.41 0.59 -4.74 113.62 107.34 2jhb n SER 24 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2jhb n SER 24 Cb 0.80 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 2jhb n SER 24 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jhb n ARG 25 N 0.00 1.82 -1.41 4.33 1.74 -1.26 -2.85 116.66 119.03 2jhb n ARG 25 Ca 0.00 0.00 -0.49 0.00 -0.77 0.00 0.00 57.85 56.59 2jhb n ARG 25 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 2jhb n ARG 25 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2jhb n GLU 26 N -0.58 0.30 -4.43 5.56 0.00 -1.26 -4.68 120.64 115.54 2jhb n GLU 26 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 57.16 56.97 2jhb n GLU 26 Cb 0.00 -1.86 -0.08 0.00 0.00 0.00 0.00 31.44 29.50 2jhb n GLU 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jhb s GLU 28 N -3.55 3.89 0.13 0.00 2.12 -1.26 -0.30 118.70 119.73 2jhb s GLU 28 Ca 0.26 0.42 -0.02 0.00 0.36 0.00 0.00 54.97 55.99 2jhb s GLU 28 Cb 0.01 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.71 2jhb s GLU 28 CO 0.19 0.31 0.08 0.96 -0.54 0.00 0.00 175.26 176.26 2jhb s ILE 29 N -1.79 0.10 -0.09 -3.70 -4.36 0.48 -0.76 121.20 111.08 2jhb s ILE 29 Ca 0.47 -1.83 -0.04 0.00 -0.26 0.00 0.00 60.65 58.99 2jhb s ILE 29 Cb -0.12 -1.99 0.05 0.00 1.25 0.00 0.00 42.46 41.65 2jhb s ILE 29 CO 0.20 -0.47 0.19 -0.75 0.24 0.00 0.00 174.94 174.36 2jhb s LYS 30 N -4.03 0.11 0.56 0.37 2.20 0.27 -0.97 119.74 118.25 2jhb s LYS 30 Ca 0.22 0.54 -0.21 0.00 -0.36 0.00 0.00 55.97 56.17 2jhb s LYS 30 Cb 0.07 -0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.18 2jhb s LYS 30 CO 0.01 -0.23 1.28 -0.47 -0.36 0.00 0.00 175.35 175.58 2jhb s TYR 31 N 1.78 2.36 0.00 4.03 6.14 0.54 0.09 117.35 132.29 2jhb s TYR 31 Ca -0.03 1.45 0.00 0.00 0.64 0.00 0.00 57.07 59.13 2jhb s TYR 31 Cb -0.12 -3.64 0.00 0.00 0.42 0.00 0.00 41.96 38.63 2jhb s TYR 31 CO -0.07 -2.52 0.08 -2.37 0.64 0.00 0.00 175.55 171.30 2jhb n THR 32 N -1.24 0.00 0.00 4.34 5.66 -0.37 -4.74 114.28 117.92 2jhb n THR 32 Ca 0.12 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2jhb n THR 32 Cb 0.47 1.40 0.00 0.00 -1.55 0.00 0.00 70.33 70.65 2jhb n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jhb n GLY 33 N 0.12 0.85 0.37 1.09 0.00 -1.00 -4.59 105.19 102.04 2jhb n GLY 33 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 2jhb n GLY 33 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2jhb h PHE 34 N 0.00 0.00 -0.00 1.61 -0.00 -1.95 -1.81 116.94 114.78 2jhb h PHE 34 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2jhb h PHE 34 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2jhb h PHE 34 CO 0.00 0.00 0.04 0.07 -0.00 0.00 0.00 178.31 178.42 2jhb h ARG 35 N 0.00 0.00 0.00 6.09 -0.00 -1.89 -3.13 114.38 115.45 2jhb h ARG 35 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.21 2jhb h ARG 35 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.91 2jhb h ARG 35 CO -0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 179.97 176.50 2jhb n ASP 36 N -3.14 0.00 -3.95 0.08 2.03 -0.68 -4.55 116.55 106.34 2jhb n ASP 36 Ca -0.03 -0.25 -0.28 0.00 0.52 0.00 0.00 54.79 54.75 2jhb n ASP 36 Cb 0.11 -0.06 0.24 0.00 -0.72 0.00 0.00 41.12 40.69 2jhb n ASP 36 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jhb n ARG 37 N -1.06 -3.06 -0.51 -0.67 5.12 -1.19 -5.01 116.66 110.29 2jhb n ARG 37 Ca 0.08 -0.89 -0.29 0.00 -1.93 0.00 0.00 57.85 54.82 2jhb n ARG 37 Cb 0.05 -1.89 0.24 0.00 -1.16 0.00 0.00 32.46 29.70 2jhb n ARG 37 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2jhb n PRO 38 N -4.18 -2.17 -1.54 5.56 -0.04 -1.26 -5.03 135.00 126.35 2jhb n PRO 38 Ca 0.06 -0.60 -0.29 0.00 -0.04 0.00 0.00 63.50 62.63 2jhb n PRO 38 Cb 0.55 -2.19 0.14 0.00 -0.04 0.00 0.00 33.50 31.97 2jhb n PRO 38 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2jhb s HIS 39 N -2.43 2.36 0.00 0.54 2.46 -1.26 -3.94 115.29 113.02 2jhb s HIS 39 Ca 0.68 0.80 0.00 0.00 0.47 0.00 0.00 55.06 57.01 2jhb s HIS 39 Cb -0.25 -3.43 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 2jhb s HIS 39 CO 0.64 -2.46 0.00 -1.91 -2.47 0.00 0.00 174.74 168.55 2jhb n GLU 40 N -3.81 0.00 -0.08 2.88 2.13 -1.26 -4.95 120.64 115.55 2jhb n GLU 40 Ca 0.07 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.78 2jhb n GLU 40 Cb 0.59 -2.33 -0.07 0.00 0.27 0.00 0.00 31.44 29.90 2jhb n GLU 40 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2jhb h GLU 41 N 2.25 0.00 0.00 5.31 4.57 -1.96 -3.46 114.58 121.29 2jhb h GLU 41 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jhb h GLU 41 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2jhb h GLU 41 CO 0.00 0.56 0.00 0.54 -1.18 0.00 0.00 179.01 178.93 2jhb n ARG 42 N -4.59 0.00 0.00 1.92 5.12 -1.26 -5.01 116.66 112.83 2jhb n ARG 42 Ca -0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 2jhb n ARG 42 Cb 0.39 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.69 2jhb n ARG 42 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2jhb n GLN 43 N -1.14 0.00 -0.45 5.56 0.00 -1.26 -4.70 117.38 115.39 2jhb n GLN 43 Ca 0.00 0.00 0.38 0.00 -0.00 0.00 0.00 57.00 57.38 2jhb n GLN 43 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 30.24 30.93 2jhb n GLN 43 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 2jhb h THR 44 N 0.00 0.23 -0.89 1.69 2.02 -1.98 -0.46 112.91 113.53 2jhb h THR 44 Ca 0.00 -0.03 0.20 0.00 0.77 0.00 0.00 66.41 67.35 2jhb h THR 44 Cb 0.00 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.48 2jhb h THR 44 CO 0.00 0.02 0.59 -0.09 0.37 0.00 0.00 175.52 176.41 2jhb h ARG 45 N 0.09 0.36 -0.06 6.66 2.43 -1.95 -1.56 114.38 120.34 2jhb h ARG 45 Ca 0.75 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.92 2jhb h ARG 45 Cb 2.59 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 32.03 2jhb h ARG 45 CO -0.21 0.24 -0.11 0.35 -1.51 0.00 0.00 179.97 178.73 2jhb h PHE 46 N 0.37 -0.28 0.00 2.20 3.57 -1.49 0.60 116.94 121.91 2jhb h PHE 46 Ca 0.46 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.97 2jhb h PHE 46 Cb 1.19 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2jhb h PHE 46 CO -0.00 -0.17 0.00 1.04 -2.23 0.00 0.00 178.31 176.95 2jhb n GLN 47 N -5.25 0.14 -0.09 1.11 3.00 -0.66 -0.76 117.38 114.87 2jhb n GLN 47 Ca -0.04 0.56 -0.09 0.00 -0.01 0.00 0.00 57.00 57.42 2jhb n GLN 47 Cb 0.17 -1.90 -0.14 0.00 0.00 0.00 0.00 30.24 28.38 2jhb n GLN 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2jhb n ASN 48 N -2.19 0.71 0.23 1.08 3.02 -0.23 -3.57 115.26 114.32 2jhb n ASN 48 Ca -0.00 -0.01 0.07 0.00 -0.03 0.00 0.00 54.58 54.61 2jhb n ASN 48 Cb 0.09 0.86 0.55 0.00 -0.61 0.00 0.00 39.78 40.67 2jhb n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jhb h ALA 49 N 0.83 1.62 -0.23 5.41 0.00 0.50 0.24 119.26 127.64 2jhb h ALA 49 Ca -0.48 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.19 2jhb h ALA 49 Cb 2.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 2jhb h ALA 49 CO 0.02 0.21 -0.21 0.00 0.00 0.00 0.00 179.25 179.27 2jhb h ARG 51 N 0.38 0.00 0.00 0.00 3.08 -0.86 -3.19 114.38 113.78 2jhb h ARG 51 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2jhb h ARG 51 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2jhb h ARG 51 CO 0.04 0.51 0.00 -0.25 -1.07 0.00 0.00 179.97 179.20 2jhb n ASP 52 N -3.17 0.56 0.00 7.04 8.00 0.59 -1.46 116.55 128.11 2jhb n ASP 52 Ca -0.00 0.75 0.00 0.00 0.71 0.00 0.00 54.79 56.25 2jhb n ASP 52 Cb 0.78 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 2jhb n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jhb n GLY 53 N -1.22 0.14 3.51 0.44 0.00 -1.21 -1.33 105.19 105.52 2jhb n GLY 53 Ca -0.01 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 2jhb n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jhb n ARG 54 N 0.00 -0.00 -0.52 1.61 -4.01 -1.26 -4.59 116.66 107.89 2jhb n ARG 54 Ca 0.00 0.06 0.00 0.00 -1.04 0.00 0.00 57.85 56.87 2jhb n ARG 54 Cb 0.00 -2.01 0.00 0.00 -3.04 0.00 0.00 32.46 27.41 2jhb n ARG 54 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2jhb n SER 55 N -1.60 0.00 -3.61 2.89 2.88 0.97 -4.85 113.62 110.30 2jhb n SER 55 Ca 0.10 -0.31 -0.21 0.00 -1.33 0.00 0.00 58.87 57.12 2jhb n SER 55 Cb 0.52 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.82 2jhb n SER 55 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2jhb s GLU 56 N 0.06 0.05 0.30 -1.46 2.12 -1.26 -2.75 118.70 115.76 2jhb s GLU 56 Ca 0.00 0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.64 2jhb s GLU 56 Cb 0.00 -1.03 -0.06 0.00 0.26 0.00 0.00 34.13 33.30 2jhb s GLU 56 CO 0.00 -0.51 -0.07 0.42 -0.54 0.00 0.00 175.26 174.57 2jhb s ILE 57 N 2.23 1.78 0.18 -3.70 1.01 -0.72 -1.24 121.20 120.74 2jhb s ILE 57 Ca 0.04 -2.14 0.01 0.00 0.00 0.00 0.00 60.65 58.56 2jhb s ILE 57 Cb -0.14 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 2jhb s ILE 57 CO -0.08 -0.27 0.02 0.00 0.00 0.00 0.00 174.94 174.61 2jhb s ALA 58 N -2.92 1.34 0.14 9.38 0.00 0.11 -0.23 121.76 129.57 2jhb s ALA 58 Ca 0.30 -1.61 -0.06 0.00 0.00 0.00 0.00 51.96 50.59 2jhb s ALA 58 Cb 0.03 0.65 -0.06 0.00 0.00 0.00 0.00 23.12 23.74 2jhb s ALA 58 CO 0.13 -0.36 0.39 -0.06 0.00 0.00 0.00 175.76 175.86 2jhb s PHE 59 N -3.71 3.49 -0.08 0.00 0.40 -0.57 -0.57 117.98 116.94 2jhb s PHE 59 Ca 0.26 0.62 -0.12 0.00 -0.60 0.00 0.00 56.93 57.08 2jhb s PHE 59 Cb 0.06 -2.05 -0.29 0.00 0.51 0.00 0.00 43.02 41.26 2jhb s PHE 59 CO 0.05 0.44 0.58 0.28 0.70 0.00 0.00 175.22 177.27 2jhb h VAL 60 N 2.20 0.93 -0.05 -0.44 2.07 -1.22 -2.33 116.25 117.40 2jhb h VAL 60 Ca -0.47 -2.44 0.02 0.00 0.82 0.00 0.00 66.70 64.63 2jhb h VAL 60 Cb 1.17 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 33.64 2jhb h VAL 60 CO 0.71 0.80 0.04 0.00 0.02 0.00 0.00 177.57 179.15 2jhb h ALA 61 N 0.04 1.84 0.00 1.67 0.00 -1.93 -3.29 119.26 117.59 2jhb h ALA 61 Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jhb h ALA 61 Cb 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2jhb h ALA 61 CO 0.12 -0.07 0.00 2.41 0.00 0.00 0.00 179.25 181.71 2jhb n THR 62 N -4.21 0.00 -1.79 0.00 -1.04 -1.26 -5.07 114.28 100.91 2jhb n THR 62 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2jhb n THR 62 Cb 0.14 0.95 0.00 0.00 -1.82 0.00 0.00 70.33 69.60 2jhb n THR 62 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jhb n GLY 63 N 0.00 0.50 3.38 3.41 0.00 -0.88 -5.00 105.19 106.61 2jhb n GLY 63 Ca 0.00 -0.82 -0.45 0.00 0.00 0.00 0.00 46.02 44.75 2jhb n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jhb s THR 64 N -2.00 5.10 0.12 2.61 2.01 -1.24 -4.77 115.64 117.47 2jhb s THR 64 Ca 0.00 -1.04 -0.35 0.00 0.31 0.00 0.00 61.69 60.61 2jhb s THR 64 Cb 0.00 -4.26 -0.15 0.00 0.01 0.00 0.00 72.50 68.10 2jhb s THR 64 CO 0.00 -0.77 1.49 -3.20 -0.69 0.00 0.00 174.62 171.45 2jhb n ASN 65 N 5.57 2.48 -3.84 3.53 2.85 -1.26 -1.51 115.26 123.08 2jhb n ASN 65 Ca -0.11 1.10 -0.16 0.00 -0.11 0.00 0.00 54.58 55.29 2jhb n ASN 65 Cb 0.43 -1.32 -0.16 0.00 1.24 0.00 0.00 39.78 39.97 2jhb n ASN 65 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 2jhb s LEU 66 N 0.83 1.37 -0.55 1.20 -0.00 0.68 -4.94 118.68 117.26 2jhb s LEU 66 Ca 0.82 -0.03 -0.24 0.00 -0.00 0.00 0.00 54.13 54.67 2jhb s LEU 66 Cb -0.80 -0.20 0.04 0.00 -0.00 0.00 0.00 46.19 45.23 2jhb s LEU 66 CO 0.42 -0.07 0.95 -0.44 -0.00 0.00 0.00 176.35 177.22 2jhb s SER 67 N 0.76 6.35 0.26 1.48 0.01 -1.26 -1.75 113.70 119.55 2jhb s SER 67 Ca -0.08 -0.32 -0.30 0.00 1.31 0.00 0.00 55.95 56.57 2jhb s SER 67 Cb -0.11 -2.44 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 2jhb s SER 67 CO -0.01 -1.24 1.12 -0.76 0.41 0.00 0.00 173.24 172.76 2jhb s LEU 68 N 3.99 4.53 -0.24 2.44 1.43 -1.11 -4.88 118.68 124.84 2jhb s LEU 68 Ca 0.31 2.27 -0.04 0.00 -1.03 0.00 0.00 54.13 55.64 2jhb s LEU 68 Cb -0.12 -3.62 0.09 0.00 0.03 0.00 0.00 46.19 42.57 2jhb s LEU 68 CO 0.20 -0.19 0.16 -1.10 0.23 0.00 0.00 176.35 175.65 2jhb s GLN 69 N -1.24 0.17 -1.29 1.70 -0.21 -1.26 -0.02 119.66 117.51 2jhb s GLN 69 Ca 0.46 -0.21 -0.12 0.00 0.02 0.00 0.00 55.36 55.51 2jhb s GLN 69 Cb -0.32 -1.30 0.15 0.00 1.00 0.00 0.00 33.01 32.54 2jhb s GLN 69 CO 0.41 -0.85 1.81 1.19 -2.12 0.00 0.00 175.29 175.72 2jhb n PHE 70 N 5.28 3.63 -3.58 0.91 3.01 -1.26 -4.39 117.46 121.05 2jhb n PHE 70 Ca -0.06 -2.96 -0.35 0.00 1.01 0.00 0.00 57.45 55.10 2jhb n PHE 70 Cb 0.46 -2.13 -0.06 0.00 -0.01 0.00 0.00 39.48 37.73 2jhb n PHE 70 CO 0.00 0.00 0.00 1.97 1.01 0.00 0.00 176.76 179.74 2jhb n PHE 71 N 4.89 3.96 -0.68 1.38 1.16 -1.26 -4.90 117.46 122.00 2jhb n PHE 71 Ca 0.41 -4.02 -0.26 0.00 -1.87 0.00 0.00 57.45 51.71 2jhb n PHE 71 Cb 0.39 -1.06 0.23 0.00 -1.61 0.00 0.00 39.48 37.43 2jhb n PHE 71 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 2jhb n PRO 72 N 2.04 -3.48 0.00 3.97 -0.04 -1.26 -4.76 135.00 131.47 2jhb n PRO 72 Ca 0.23 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 2jhb n PRO 72 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2jhb n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jhb n ALA 73 N -4.93 1.48 -3.50 0.55 0.00 -1.26 -4.11 120.51 108.74 2jhb n ALA 73 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 2jhb n ALA 73 Cb 0.51 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 2jhb n ALA 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jhb s SER 74 N -0.24 2.91 0.73 0.00 0.15 -1.26 -5.14 113.70 110.85 2jhb s SER 74 Ca 0.00 -2.37 -0.09 0.00 0.70 0.00 0.00 55.95 54.19 2jhb s SER 74 Cb 0.00 -0.51 0.05 0.00 -1.71 0.00 0.00 66.02 63.85 2jhb s SER 74 CO 0.00 -0.28 1.07 0.26 1.20 0.00 0.00 173.24 175.49 2jhb s TRP 75 N 0.82 3.04 0.00 3.44 0.52 -1.26 -4.96 118.94 120.54 2jhb s TRP 75 Ca 0.20 0.68 0.00 0.00 0.02 0.00 0.00 56.10 57.00 2jhb s TRP 75 Cb -0.20 -3.22 0.00 0.00 -1.15 0.00 0.00 33.47 28.90 2jhb s TRP 75 CO -0.02 -1.42 0.00 0.00 0.02 0.00 0.00 176.95 175.53 2jhb n GLN 76 N -3.03 0.00 0.00 4.98 0.00 -1.26 -5.11 117.38 112.96 2jhb n GLN 76 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.07 2jhb n GLN 76 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.84 2jhb n GLN 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jhb n GLY 77 N 0.00 -0.92 1.25 2.61 0.00 -1.26 -5.12 105.19 101.75 2jhb n GLY 77 Ca 0.00 0.35 0.14 0.00 0.00 0.00 0.00 46.02 46.51 2jhb n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jhb n GLU 78 N 0.00 -2.46 -3.35 1.61 2.13 -1.26 -4.97 120.64 112.34 2jhb n GLU 78 Ca 0.00 1.86 -0.31 0.00 0.66 0.00 0.00 57.16 59.36 2jhb n GLU 78 Cb 0.00 -3.05 0.03 0.00 0.27 0.00 0.00 31.44 28.69 2jhb n GLU 78 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2jhb n GLN 79 N -3.82 -2.03 -1.65 5.31 0.00 -0.44 -4.82 117.38 109.93 2jhb n GLN 79 Ca -0.03 1.59 -0.46 0.00 -0.00 0.00 0.00 57.00 58.10 2jhb n GLN 79 Cb 0.64 -2.91 -0.03 0.00 0.00 0.00 0.00 30.24 27.93 2jhb n GLN 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2jhb n ARG 80 N -0.19 1.82 0.00 3.69 0.63 -0.53 -4.93 116.66 117.14 2jhb n ARG 80 Ca -0.04 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 2jhb n ARG 80 Cb 0.63 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 31.25 2jhb n ARG 80 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jhb n GLN 81 N 2.19 0.00 -3.76 -0.14 10.64 -1.26 -4.62 117.38 120.42 2jhb n GLN 81 Ca 0.13 0.13 -0.34 0.00 -1.83 0.00 0.00 57.00 55.09 2jhb n GLN 81 Cb 0.29 -0.97 -0.10 0.00 -0.86 0.00 0.00 30.24 28.60 2jhb n GLN 81 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2jhb s THR 82 N -1.13 3.54 1.17 -0.39 2.01 -1.26 -5.09 115.64 114.49 2jhb s THR 82 Ca 0.00 -3.30 -0.14 0.00 0.31 0.00 0.00 61.69 58.56 2jhb s THR 82 Cb 0.00 -3.31 0.28 0.00 0.01 0.00 0.00 72.50 69.48 2jhb s THR 82 CO 0.00 -0.91 1.03 -2.16 -0.69 0.00 0.00 174.62 171.89 2jhb s PRO 83 N -0.45 -0.94 0.60 4.92 0.04 -1.26 -5.05 135.00 132.86 2jhb s PRO 83 Ca 0.19 0.61 -0.08 0.00 0.04 0.00 0.00 61.00 61.76 2jhb s PRO 83 Cb -0.18 -1.57 -0.01 0.00 0.04 0.00 0.00 34.50 32.78 2jhb s PRO 83 CO -0.05 -3.67 0.95 -1.12 0.04 0.00 0.00 177.00 173.14 2jhb s SER 84 N -2.87 5.79 0.07 6.66 0.01 -1.26 -4.86 113.70 117.25 2jhb s SER 84 Ca 0.68 0.97 -0.20 0.00 1.31 0.00 0.00 55.95 58.71 2jhb s SER 84 Cb -0.22 -1.99 -0.10 0.00 0.21 0.00 0.00 66.02 63.92 2jhb s SER 84 CO 0.62 -1.00 1.50 -0.09 0.41 0.00 0.00 173.24 174.68 2jhb h ARG 85 N -0.23 0.36 0.00 12.44 2.43 -1.84 0.00 114.38 127.54 2jhb h ARG 85 Ca -0.45 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 58.57 2jhb h ARG 85 Cb 1.23 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2jhb h ARG 85 CO 0.62 0.56 -0.17 1.49 -1.51 0.00 0.00 179.97 180.96 2jhb h GLU 86 N 0.12 0.00 0.01 0.20 4.57 -1.93 -3.29 114.58 114.25 2jhb h GLU 86 Ca 0.06 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2jhb h GLU 86 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2jhb h GLU 86 CO 0.01 0.17 -0.00 1.88 -1.18 0.00 0.00 179.01 179.89 2jhb h TYR 87 N 0.00 -0.01 -3.09 0.92 -1.99 -1.52 -3.10 116.97 108.19 2jhb h TYR 87 Ca -0.00 -0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 2jhb h TYR 87 Cb 0.60 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 39.15 2jhb h TYR 87 CO 0.00 -0.00 -0.26 0.08 -0.00 0.00 0.00 178.16 177.97 2jhb s VAL 88 N -1.22 0.06 -0.11 -2.88 1.01 -0.10 -2.38 120.40 114.78 2jhb s VAL 88 Ca -0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 2jhb s VAL 88 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.68 2jhb s VAL 88 CO 0.00 -0.29 0.13 -0.67 0.00 0.00 0.00 175.10 174.28 2jhb n ASP 89 N 1.09 -3.28 -2.55 3.32 2.03 -1.26 -4.14 116.55 111.77 2jhb n ASP 89 Ca -0.21 0.09 -0.10 0.00 0.52 0.00 0.00 54.79 55.08 2jhb n ASP 89 Cb 0.57 -1.94 0.03 0.00 -0.72 0.00 0.00 41.12 39.06 2jhb n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jhb n LEU 90 N -0.62 2.79 0.00 -2.67 -0.00 -1.26 -4.70 117.00 110.54 2jhb n LEU 90 Ca 0.02 -3.80 0.00 0.00 -0.00 0.00 0.00 56.01 52.23 2jhb n LEU 90 Cb 0.19 0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 2jhb n LEU 90 CO 0.11 1.51 0.00 1.21 -0.00 0.00 0.00 177.39 180.22 2jhb n GLU 91 N -0.55 0.00 0.00 1.47 2.13 -1.26 -4.19 120.64 118.23 2jhb n GLU 91 Ca 0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2jhb n GLU 91 Cb 0.84 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 31.34 2jhb n GLU 91 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2jhb n ARG 92 N 0.00 0.00 -1.49 5.31 3.00 -1.26 -5.13 116.66 117.09 2jhb n ARG 92 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.59 2jhb n ARG 92 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 32.46 32.65 2jhb n ARG 92 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2jhb n GLU 93 N 2.29 -1.52 -1.82 -0.14 4.07 -0.07 -4.91 120.64 118.55 2jhb n GLU 93 Ca 0.00 -1.73 -0.21 0.00 -0.06 0.00 0.00 57.16 55.16 2jhb n GLU 93 Cb 0.00 -1.24 -0.07 0.00 -0.06 0.00 0.00 31.44 30.07 2jhb n GLU 93 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jhb s ALA 94 N -3.76 1.16 -0.43 4.31 0.00 -1.26 -3.22 121.76 118.56 2jhb s ALA 94 Ca 0.65 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2jhb s ALA 94 Cb -0.03 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.49 2jhb s ALA 94 CO 0.46 -5.59 0.00 0.41 0.00 0.00 0.00 175.76 171.04 2jhb n GLY 95 N 6.57 0.48 3.27 0.00 0.00 -1.26 -4.97 105.19 109.29 2jhb n GLY 95 Ca 0.43 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 46.24 2jhb n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jhb s LYS 96 N -2.03 1.44 0.13 1.61 0.00 -1.20 -1.12 119.74 118.56 2jhb s LYS 96 Ca 0.00 -1.79 0.09 0.00 0.00 0.00 0.00 55.97 54.27 2jhb s LYS 96 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 37.83 37.88 2jhb s LYS 96 CO 0.00 -0.43 -0.22 0.54 0.00 0.00 0.00 175.35 175.24 2jhb s VAL 97 N -3.82 1.88 0.35 1.79 0.11 -0.45 -0.89 120.40 119.37 2jhb s VAL 97 Ca 0.38 -1.70 -0.09 0.00 -2.93 0.00 0.00 61.98 57.64 2jhb s VAL 97 Cb 0.06 -1.74 -0.06 0.00 -1.53 0.00 0.00 36.38 33.10 2jhb s VAL 97 CO 0.16 -0.09 0.69 -0.31 -3.33 0.00 0.00 175.10 172.22 2jhb s TYR 98 N -1.37 3.46 -0.19 1.54 1.51 -1.26 -0.73 117.35 120.30 2jhb s TYR 98 Ca 0.11 0.94 -0.11 0.00 -1.01 0.00 0.00 57.07 57.01 2jhb s TYR 98 Cb -0.09 -2.35 0.06 0.00 -0.11 0.00 0.00 41.96 39.48 2jhb s TYR 98 CO 0.05 0.02 0.47 -1.17 -1.11 0.00 0.00 175.55 173.82 2jhb s LEU 99 N -3.57 -0.26 -0.22 -1.29 1.98 -0.41 -4.60 118.68 110.31 2jhb s LEU 99 Ca 0.49 1.02 -0.27 0.00 -2.89 0.00 0.00 54.13 52.49 2jhb s LEU 99 Cb -0.10 1.56 0.09 0.00 0.66 0.00 0.00 46.19 48.40 2jhb s LEU 99 CO 0.28 -0.20 0.84 -0.75 -1.89 0.00 0.00 176.35 174.63 2jhb s LYS 100 N 1.43 0.75 -0.09 1.98 2.20 -1.00 -0.41 119.74 124.60 2jhb s LYS 100 Ca -0.09 0.64 -0.10 0.00 -0.36 0.00 0.00 55.97 56.06 2jhb s LYS 100 Cb -0.08 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.63 2jhb s LYS 100 CO -0.14 -0.14 0.26 0.00 -0.36 0.00 0.00 175.35 174.97 2jhb s ALA 101 N -0.14 -0.65 0.12 3.13 0.00 -0.07 -4.41 121.76 119.74 2jhb s ALA 101 Ca -0.01 0.66 -0.31 0.00 0.00 0.00 0.00 51.96 52.30 2jhb s ALA 101 Cb -0.04 -0.36 -0.08 0.00 0.00 0.00 0.00 23.12 22.65 2jhb s ALA 101 CO 0.01 -0.14 1.32 -1.25 0.00 0.00 0.00 175.76 175.69 2jhb s PRO 102 N -0.08 4.37 0.24 0.00 0.04 -1.26 -0.71 135.00 137.60 2jhb s PRO 102 Ca -0.02 1.99 0.12 0.00 0.04 0.00 0.00 61.00 63.13 2jhb s PRO 102 Cb -0.02 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 2jhb s PRO 102 CO 0.01 -0.34 -0.21 -1.64 0.04 0.00 0.00 177.00 174.85 2jhb s MET 103 N 0.81 1.64 -0.38 4.56 -1.94 0.19 -4.21 119.30 119.96 2jhb s MET 103 Ca 0.61 -1.64 0.01 0.00 -1.71 0.00 0.00 55.69 52.96 2jhb s MET 103 Cb -0.35 -1.83 0.13 0.00 2.01 0.00 0.00 34.83 34.80 2jhb s MET 103 CO 0.32 0.37 0.21 0.42 -0.01 0.00 0.00 175.02 176.32 2jhb s ILE 104 N -2.10 0.66 -0.21 2.53 1.01 -1.26 -1.90 121.20 119.93 2jhb s ILE 104 Ca 0.26 -1.98 -0.04 0.00 0.00 0.00 0.00 60.65 58.89 2jhb s ILE 104 Cb -0.06 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 2jhb s ILE 104 CO 0.13 -0.92 -0.04 -0.76 0.00 0.00 0.00 174.94 173.35 2jhb s LEU 105 N 0.87 3.00 0.00 2.97 2.01 -0.91 -4.45 118.68 122.16 2jhb s LEU 105 Ca 0.17 -0.32 0.00 0.00 0.01 0.00 0.00 54.13 53.99 2jhb s LEU 105 Cb -0.23 -1.76 0.00 0.00 0.01 0.00 0.00 46.19 44.21 2jhb s LEU 105 CO -0.02 0.02 0.00 -3.20 1.01 0.00 0.00 176.35 174.16 2jhb n ASN 106 N 4.50 0.00 0.00 2.29 2.85 -1.26 -0.89 115.26 122.75 2jhb n ASN 106 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 2jhb n ASN 106 Cb 0.51 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 41.44 2jhb n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jhb n GLY 107 N -0.68 1.71 3.07 8.20 0.00 -1.26 -4.64 105.19 111.60 2jhb n GLY 107 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2jhb n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jhb s VAL 108 N -1.71 2.03 -1.14 1.61 1.01 -0.07 -0.88 120.40 121.25 2jhb s VAL 108 Ca 0.00 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 60.51 2jhb s VAL 108 Cb 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2jhb s VAL 108 CO 0.00 0.22 1.80 0.00 0.00 0.00 0.00 175.10 177.12 2jhb s VAL 110 N 7.92 2.56 -0.13 0.00 -7.23 -0.80 -0.99 120.40 121.73 2jhb s VAL 110 Ca 0.61 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 60.42 2jhb s VAL 110 Cb -0.00 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 2jhb s VAL 110 CO 0.06 -0.06 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.05 2jhb s ILE 111 N -3.07 3.23 0.03 -0.62 1.01 0.45 -0.64 121.20 121.59 2jhb s ILE 111 Ca 0.58 -0.60 -0.27 0.00 0.00 0.00 0.00 60.65 60.36 2jhb s ILE 111 Cb -0.11 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 2jhb s ILE 111 CO 0.43 0.52 0.86 0.86 0.00 0.00 0.00 174.94 177.61 2jhb s TRP 112 N 0.28 3.70 0.16 3.97 -0.00 0.11 -0.72 118.94 126.45 2jhb s TRP 112 Ca -0.08 1.57 0.02 0.00 -0.00 0.00 0.00 56.10 57.61 2jhb s TRP 112 Cb -0.15 -2.95 -0.05 0.00 -0.00 0.00 0.00 33.47 30.32 2jhb s TRP 112 CO 0.05 0.15 -0.02 -1.59 -0.00 0.00 0.00 176.95 175.54 2jhb s LYS 113 N 0.39 1.07 0.00 5.86 0.00 -0.23 -0.89 119.74 125.94 2jhb s LYS 113 Ca 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 55.97 54.91 2jhb s LYS 113 Cb -0.21 -0.31 0.00 0.00 0.00 0.00 0.00 37.83 37.31 2jhb s LYS 113 CO 0.25 -0.09 0.00 0.41 0.00 0.00 0.00 175.35 175.92 2jhb n GLY 114 N -0.21 -1.45 2.99 0.59 0.00 0.46 -0.68 105.19 106.89 2jhb n GLY 114 Ca -0.08 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 2jhb n GLY 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2jhb s TRP 115 N -2.80 0.57 -0.31 1.61 -2.14 0.93 -1.29 118.94 115.52 2jhb s TRP 115 Ca 0.00 -0.16 -0.00 0.00 2.66 0.00 0.00 56.10 58.59 2jhb s TRP 115 Cb 0.00 -0.36 0.06 0.00 -3.10 0.00 0.00 33.47 30.07 2jhb s TRP 115 CO 0.00 -0.02 0.00 0.42 -2.66 0.00 0.00 176.95 174.70 2jhb s ILE 116 N -0.33 2.78 0.50 0.66 -1.09 0.09 -0.89 121.20 122.92 2jhb s ILE 116 Ca 0.01 -1.61 -0.22 0.00 -2.23 0.00 0.00 60.65 56.59 2jhb s ILE 116 Cb -0.04 -2.68 -0.07 0.00 -1.58 0.00 0.00 42.46 38.09 2jhb s ILE 116 CO -0.00 -0.21 1.16 0.47 -1.23 0.00 0.00 174.94 175.13 2jhb n ASP 117 N 4.54 1.84 0.00 3.58 8.00 0.20 -1.34 116.55 133.37 2jhb n ASP 117 Ca -0.10 0.98 0.02 0.00 0.71 0.00 0.00 54.79 56.39 2jhb n ASP 117 Cb 0.43 -1.46 0.11 0.00 -0.02 0.00 0.00 41.12 40.18 2jhb n ASP 117 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2jhb n LEU 118 N -0.32 0.00 0.19 0.64 4.77 -0.28 -2.91 117.00 119.09 2jhb n LEU 118 Ca 0.10 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 2jhb n LEU 118 Cb 0.43 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2jhb n LEU 118 CO 0.54 0.00 0.42 0.45 -1.33 0.00 0.00 177.39 177.48 2jhb h HIS 119 N 0.00 -0.46 0.00 -1.77 3.86 -1.84 -3.42 115.15 111.52 2jhb h HIS 119 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2jhb h HIS 119 Cb 0.00 0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2jhb h HIS 119 CO 0.00 -0.28 0.00 0.54 0.86 0.00 0.00 177.93 179.05 2jhb n ARG 120 N -3.55 0.00 -3.00 2.45 5.12 -1.25 -4.98 116.66 111.45 2jhb n ARG 120 Ca -0.06 -0.28 -0.11 0.00 -1.93 0.00 0.00 57.85 55.47 2jhb n ARG 120 Cb 0.19 -0.44 0.04 0.00 -1.16 0.00 0.00 32.46 31.10 2jhb n ARG 120 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2jhb n LEU 121 N 0.00 -2.69 -4.29 0.55 4.32 -1.15 -4.88 117.00 108.86 2jhb n LEU 121 Ca 0.00 -0.26 -0.16 0.00 -0.02 0.00 0.00 56.01 55.57 2jhb n LEU 121 Cb 0.41 -1.70 -0.10 0.00 -1.62 0.00 0.00 43.42 40.41 2jhb n LEU 121 CO 0.00 0.30 -0.43 -1.81 -1.22 0.00 0.00 177.39 174.24 2jhb s ASP 122 N -3.18 2.15 0.00 -1.43 1.01 -1.23 -0.34 116.67 113.65 2jhb s ASP 122 Ca 0.26 -0.99 0.00 0.00 0.71 0.00 0.00 52.55 52.53 2jhb s ASP 122 Cb -0.12 -0.07 0.00 0.00 1.01 0.00 0.00 42.92 43.74 2jhb s ASP 122 CO 0.35 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 176.09 2jhb n GLY 123 N -0.19 -0.85 3.42 0.21 0.00 -0.14 -0.62 105.19 107.01 2jhb n GLY 123 Ca -0.10 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 2jhb n GLY 123 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jhb s MET 124 N -0.62 1.51 0.00 1.61 -1.94 -0.07 -0.39 119.30 119.40 2jhb s MET 124 Ca 0.00 -1.54 0.00 0.00 -1.71 0.00 0.00 55.69 52.44 2jhb s MET 124 Cb 0.00 -1.79 0.00 0.00 2.01 0.00 0.00 34.83 35.05 2jhb s MET 124 CO 0.00 0.38 0.00 0.41 -0.01 0.00 0.00 175.02 175.80 2jhb n GLY 125 N 0.19 -1.52 0.00 -0.03 0.00 0.59 -0.05 105.19 104.37 2jhb n GLY 125 Ca -0.12 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2jhb n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jhb s LEU 127 N 0.00 2.58 0.30 0.00 1.43 -1.13 -1.06 118.68 120.80 2jhb s LEU 127 Ca 0.00 -0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 52.25 2jhb s LEU 127 Cb 0.00 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 2jhb s LEU 127 CO 0.00 0.10 0.35 -1.83 0.23 0.00 0.00 176.35 175.20 2jhb s GLU 128 N -2.91 1.70 0.46 1.70 -1.05 0.10 -4.76 118.70 113.93 2jhb s GLU 128 Ca 0.24 -1.76 0.00 0.00 -0.15 0.00 0.00 54.97 53.30 2jhb s GLU 128 Cb -0.07 0.38 -0.00 0.00 -0.44 0.00 0.00 34.13 33.99 2jhb s GLU 128 CO 0.12 -0.66 0.68 0.12 0.95 0.00 0.00 175.26 176.47 2jhb s PHE 129 N -3.47 3.21 -0.27 4.83 5.36 -1.26 -0.41 117.98 125.96 2jhb s PHE 129 Ca 0.34 0.23 -0.00 0.00 -0.96 0.00 0.00 56.93 56.54 2jhb s PHE 129 Cb 0.02 -2.34 0.08 0.00 -0.34 0.00 0.00 43.02 40.45 2jhb s PHE 129 CO 0.20 -0.38 0.05 0.34 -1.46 0.00 0.00 175.22 173.96 2jhb s ASP 130 N -4.22 3.82 0.44 6.13 -1.08 -0.17 -4.26 116.67 117.33 2jhb s ASP 130 Ca 0.49 -1.41 0.22 0.00 -0.52 0.00 0.00 52.55 51.32 2jhb s ASP 130 Cb -0.10 -0.95 1.02 0.00 -1.46 0.00 0.00 42.92 41.44 2jhb s ASP 130 CO 0.38 -0.35 1.90 -0.08 0.52 0.00 0.00 175.17 177.54 2jhb h GLU 131 N 8.05 0.00 0.07 4.34 4.81 -1.99 -1.24 114.58 128.62 2jhb h GLU 131 Ca -0.14 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2jhb h GLU 131 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2jhb h GLU 131 CO 0.43 0.25 -0.04 1.49 -0.73 0.00 0.00 179.01 180.42 2jhb h GLU 132 N 0.00 -0.09 -0.04 1.92 4.81 -1.96 -3.08 114.58 116.13 2jhb h GLU 132 Ca -0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2jhb h GLU 132 Cb 0.60 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2jhb h GLU 132 CO 0.03 0.43 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.57 2jhb h ARG 133 N -0.92 0.06 -0.22 1.92 9.65 -1.89 0.35 114.38 123.34 2jhb h ARG 133 Ca -0.01 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2jhb h ARG 133 Cb 0.57 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 2jhb h ARG 133 CO 0.02 0.15 0.12 0.00 2.80 0.00 0.00 179.97 183.06 2jhb h ALA 134 N 1.86 0.28 0.00 2.80 0.00 -1.35 0.11 119.26 122.96 2jhb h ALA 134 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2jhb h ALA 134 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jhb h ALA 134 CO 0.01 -0.19 -0.21 1.96 0.00 0.00 0.00 179.25 180.82 2jhb h GLN 135 N 0.24 0.00 0.10 0.00 4.20 -0.97 0.63 115.11 119.32 2jhb h GLN 135 Ca 0.08 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2jhb h GLN 135 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2jhb h GLN 135 CO -0.01 0.21 -0.05 1.96 -0.67 0.00 0.00 178.83 180.27 2jhb h GLN 136 N 0.00 -0.13 -0.00 1.46 1.08 -0.10 -3.18 115.11 114.24 2jhb h GLN 136 Ca -0.00 0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 2jhb h GLN 136 Cb 0.55 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 2jhb h GLN 136 CO 0.03 0.30 -0.52 1.49 -0.95 0.00 0.00 178.83 179.18 2jhb h GLU 137 N -0.62 0.01 -0.78 1.46 4.57 -0.35 0.76 114.58 119.64 2jhb h GLU 137 Ca -0.01 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 2jhb h GLU 137 Cb 0.49 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 2jhb h GLU 137 CO 0.02 0.53 0.51 -0.44 -1.18 0.00 0.00 179.01 178.46 2jhb h ASP 138 N 0.01 0.81 0.02 1.04 3.32 -0.98 0.10 116.42 120.73 2jhb h ASP 138 Ca -0.00 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 2jhb h ASP 138 Cb 0.93 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.31 2jhb h ASP 138 CO 0.07 0.55 -0.58 0.00 -1.72 0.00 0.00 179.24 177.56 2jhb h ALA 139 N 1.55 0.04 0.00 3.45 0.00 -1.27 -3.37 119.26 119.67 2jhb h ALA 139 Ca 0.32 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jhb h ALA 139 Cb 0.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jhb h ALA 139 CO -0.10 0.31 0.00 -0.07 0.00 0.00 0.00 179.25 179.40 2jhb h LEU 140 N -0.21 0.00 -4.15 0.00 3.38 -0.30 -1.08 115.31 112.96 2jhb h LEU 140 Ca -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2jhb h LEU 140 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2jhb h LEU 140 CO 0.11 0.00 0.06 0.00 0.09 0.00 0.00 178.44 178.70 2jhb n ALA 141 N -2.02 3.14 -3.87 1.53 0.00 0.30 -4.67 120.51 114.92 2jhb n ALA 141 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 53.44 52.62 2jhb n ALA 141 Cb 0.24 -1.99 0.01 0.00 0.00 0.00 0.00 19.45 17.71 2jhb n ALA 141 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jhb n GLN 142 N 2.38 -1.92 0.00 0.00 6.02 -1.20 -5.01 117.38 117.65 2jhb n GLN 142 Ca 0.12 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 2jhb n GLN 142 Cb 0.35 -4.05 0.00 0.00 1.02 0.00 0.00 30.24 27.56 2jhb n GLN 142 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99