#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jcb s HIS -3 N 0.00 2.50 0.22 4.41 4.02 -1.26 -4.92 115.29 120.26 2jcb s HIS -3 Ca 0.00 1.57 -0.08 0.00 1.02 0.00 0.00 55.06 57.57 2jcb s HIS -3 Cb 0.00 -3.12 0.28 0.00 -1.02 0.00 0.00 32.58 28.72 2jcb s HIS -3 CO 0.00 -1.87 1.79 1.25 1.02 0.00 0.00 174.74 176.93 2jcb h HIS -2 N -0.79 0.64 -0.59 1.40 -0.00 -2.06 -2.80 115.15 110.95 2jcb h HIS -2 Ca -0.45 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 59.93 2jcb h HIS -2 Cb 1.24 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 28.44 2jcb h HIS -2 CO 0.56 0.27 0.30 1.12 -0.00 0.00 0.00 177.93 180.17 2jcb h HIS -1 N 0.63 0.83 -0.99 5.26 -0.00 -1.99 -1.55 115.15 117.34 2jcb h HIS -1 Ca 0.32 -0.03 0.25 0.00 -0.00 0.00 0.00 60.37 60.91 2jcb h HIS -1 Cb 0.28 -0.26 -0.13 0.00 -0.00 0.00 0.00 27.41 27.30 2jcb h HIS -1 CO -0.10 0.63 0.56 0.45 -0.00 0.00 0.00 177.93 179.47 2jcb h HIS 0 N 0.80 0.94 0.20 6.12 -0.00 -1.88 0.35 115.15 121.68 2jcb h HIS 0 Ca 0.20 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 2jcb h HIS 0 Cb 0.09 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.24 2jcb h HIS 0 CO -0.00 0.01 -0.10 0.28 -0.00 0.00 0.00 177.93 178.12 2jcb h VAL 1 N 0.52 0.65 -0.82 2.45 2.07 -1.17 -2.05 116.25 117.91 2jcb h VAL 1 Ca 0.64 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 67.18 2jcb h VAL 1 Cb 1.25 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 2jcb h VAL 1 CO -0.50 0.17 0.50 0.03 0.02 0.00 0.00 177.57 177.79 2jcb h ARG 2 N -0.93 0.89 -0.59 1.57 2.47 -1.22 -2.05 114.38 114.53 2jcb h ARG 2 Ca -0.03 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.55 2jcb h ARG 2 Cb 0.49 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 2jcb h ARG 2 CO 0.04 0.59 0.03 0.93 0.56 0.00 0.00 179.97 182.12 2jcb h GLU 3 N 0.91 1.02 -0.98 0.04 5.08 -0.39 -1.93 114.58 118.33 2jcb h GLU 3 Ca 0.36 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2jcb h GLU 3 Cb 0.17 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2jcb h GLU 3 CO -0.17 0.99 0.65 1.49 -1.00 0.00 0.00 179.01 180.96 2jcb h GLU 4 N 0.91 1.24 -0.38 2.33 4.81 -1.02 0.17 114.58 122.65 2jcb h GLU 4 Ca 0.17 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2jcb h GLU 4 Cb 0.51 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 2jcb h GLU 4 CO 0.02 0.82 0.15 0.87 -0.73 0.00 0.00 179.01 180.15 2jcb h LYS 5 N 1.28 0.57 -0.11 1.92 1.57 -1.20 -0.23 116.57 120.37 2jcb h LYS 5 Ca 0.38 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 2jcb h LYS 5 Cb -0.07 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 2jcb h LYS 5 CO -0.10 0.55 0.01 -0.07 -0.57 0.00 0.00 179.45 179.27 2jcb h LEU 6 N 0.47 0.18 -0.66 2.94 3.38 -1.14 0.53 115.31 121.02 2jcb h LEU 6 Ca 0.13 -0.28 0.13 0.00 0.09 0.00 0.00 57.88 57.94 2jcb h LEU 6 Cb 0.19 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 2jcb h LEU 6 CO -0.01 0.42 0.18 -0.09 0.09 0.00 0.00 178.44 179.03 2jcb h ARG 7 N -0.06 0.30 -0.09 1.13 2.43 -0.94 0.23 114.38 117.39 2jcb h ARG 7 Ca 0.03 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.95 2jcb h ARG 7 Cb 0.32 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2jcb h ARG 7 CO 0.00 0.20 -0.86 -0.07 -1.51 0.00 0.00 179.97 177.73 2jcb h LEU 8 N 0.31 0.91 0.16 3.80 3.38 -0.90 -1.60 115.31 121.38 2jcb h LEU 8 Ca 0.35 -0.67 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2jcb h LEU 8 Cb 0.54 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2jcb h LEU 8 CO -0.41 1.45 -0.10 -0.09 0.09 0.00 0.00 178.44 179.38 2jcb h ARG 9 N 0.45 -0.25 -0.15 1.13 2.43 -0.63 -1.64 114.38 115.73 2jcb h ARG 9 Ca -0.08 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2jcb h ARG 9 Cb 1.50 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 31.05 2jcb h ARG 9 CO 0.17 -0.17 -0.23 -0.22 -1.51 0.00 0.00 179.97 178.01 2jcb h LYS 10 N -0.26 -0.28 -0.55 0.20 3.64 -0.58 -1.89 116.57 116.86 2jcb h LYS 10 Ca -0.02 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2jcb h LYS 10 Cb 0.22 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2jcb h LYS 10 CO 0.02 -0.19 0.35 0.37 -2.27 0.00 0.00 179.45 177.73 2jcb h GLN 11 N -0.29 0.68 -0.23 1.90 4.15 -1.07 -1.23 115.11 119.02 2jcb h GLN 11 Ca 0.11 -0.04 -0.20 0.00 0.77 0.00 0.00 58.65 59.28 2jcb h GLN 11 Cb 0.45 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2jcb h GLN 11 CO -0.31 0.45 -0.64 0.82 -1.93 0.00 0.00 178.83 177.22 2jcb h ILE 12 N 0.70 1.27 -0.81 2.39 1.08 -1.24 -2.02 117.51 118.88 2jcb h ILE 12 Ca 0.21 -1.82 0.02 0.00 -0.39 0.00 0.00 64.86 62.88 2jcb h ILE 12 Cb -0.04 1.77 -0.05 0.00 -3.07 0.00 0.00 36.82 35.44 2jcb h ILE 12 CO -0.07 0.59 0.53 0.40 -0.69 0.00 0.00 178.15 178.91 2jcb h ILE 13 N 0.61 1.15 -0.53 -0.67 2.04 -1.21 0.77 117.51 119.68 2jcb h ILE 13 Ca -0.01 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2jcb h ILE 13 Cb 1.26 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2jcb h ILE 13 CO 0.14 0.19 0.27 -0.08 0.00 0.00 0.00 178.15 178.67 2jcb h GLU 14 N 1.04 0.75 -0.36 2.37 4.81 -1.19 0.28 114.58 122.29 2jcb h GLU 14 Ca 0.32 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2jcb h GLU 14 Cb -0.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 2jcb h GLU 14 CO -0.10 0.60 0.13 1.25 -0.73 0.00 0.00 179.01 180.16 2jcb h HIS 15 N 0.71 0.56 -0.37 0.92 2.76 -0.89 -1.77 115.15 117.06 2jcb h HIS 15 Ca 0.18 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2jcb h HIS 15 Cb 0.08 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 2jcb h HIS 15 CO -0.01 0.53 0.21 1.98 -1.30 0.00 0.00 177.93 179.34 2jcb h MET 16 N 0.43 0.51 0.00 5.26 1.85 -0.45 -1.78 114.93 120.76 2jcb h MET 16 Ca 0.12 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 2jcb h MET 16 Cb 0.22 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.15 2jcb h MET 16 CO -0.01 0.42 -0.04 -0.91 -0.40 0.00 0.00 176.91 175.97 2jcb h ASN 17 N 0.47 0.00 1.23 1.39 2.35 -0.85 -2.25 115.58 117.92 2jcb h ASN 17 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2jcb h ASN 17 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2jcb h ASN 17 CO -0.02 0.04 0.00 -1.54 -1.65 0.00 0.00 177.43 174.26 2jcb n SER 18 N -4.26 0.47 -4.65 5.81 3.41 -0.68 -4.90 113.62 108.83 2jcb n SER 18 Ca -0.03 0.55 -0.47 0.00 -0.26 0.00 0.00 58.87 58.66 2jcb n SER 18 Cb 0.13 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.36 2jcb n SER 18 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jcb n LEU 19 N -1.95 2.78 -4.68 1.04 4.77 -0.85 -4.96 117.00 113.16 2jcb n LEU 19 Ca 0.06 1.09 -0.31 0.00 -0.03 0.00 0.00 56.01 56.82 2jcb n LEU 19 Cb 0.38 -1.37 0.16 0.00 -2.33 0.00 0.00 43.42 40.26 2jcb n LEU 19 CO 0.28 -0.45 0.68 -0.94 -1.33 0.00 0.00 177.39 175.63 2jcb s SER 20 N 0.93 3.02 0.19 -1.43 1.04 -1.26 -4.80 113.70 111.39 2jcb s SER 20 Ca 0.81 2.15 -0.12 0.00 0.48 0.00 0.00 55.95 59.27 2jcb s SER 20 Cb -0.74 -2.56 0.11 0.00 0.10 0.00 0.00 66.02 62.93 2jcb s SER 20 CO 0.40 -3.03 1.81 0.50 0.98 0.00 0.00 173.24 173.91 2jcb h LYS 21 N -1.82 0.90 -0.48 4.02 1.63 -1.99 -0.90 116.57 117.93 2jcb h LYS 21 Ca -0.43 -0.09 0.07 0.00 -0.85 0.00 0.00 60.65 59.34 2jcb h LYS 21 Cb 1.27 -0.18 -0.06 0.00 -0.60 0.00 0.00 32.23 32.66 2jcb h LYS 21 CO 0.43 0.66 0.16 1.49 -3.45 0.00 0.00 179.45 178.74 2jcb h GLU 22 N 0.89 0.31 -0.03 1.90 4.22 -1.99 -0.76 114.58 119.12 2jcb h GLU 22 Ca 0.23 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.65 2jcb h GLU 22 Cb 0.01 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2jcb h GLU 22 CO -0.04 0.21 0.00 0.00 -2.18 0.00 0.00 179.01 177.00 2jcb h ARG 23 N 0.32 0.04 -0.56 1.92 2.47 -1.83 0.28 114.38 117.03 2jcb h ARG 23 Ca 0.23 -0.01 0.11 0.00 -1.26 0.00 0.00 59.98 59.05 2jcb h ARG 23 Cb 0.26 -0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.47 2jcb h ARG 23 CO -0.25 0.29 -0.16 -0.92 0.56 0.00 0.00 179.97 179.49 2jcb h TYR 24 N -0.21 -0.35 0.20 3.04 3.20 -1.06 -0.52 116.97 121.27 2jcb h TYR 24 Ca 0.01 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2jcb h TYR 24 Cb 0.27 0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2jcb h TYR 24 CO 0.01 -0.26 -0.09 1.15 -1.64 0.00 0.00 178.16 177.33 2jcb h THR 25 N -0.02 0.89 -0.09 1.81 2.02 -0.96 -1.45 112.91 115.12 2jcb h THR 25 Ca 0.27 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 2jcb h THR 25 Cb 0.43 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2jcb h THR 25 CO -0.59 0.18 0.04 0.74 0.37 0.00 0.00 175.52 176.26 2jcb h THR 26 N -0.70 1.11 -0.58 3.16 2.02 -0.88 -1.60 112.91 115.43 2jcb h THR 26 Ca -0.03 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 2jcb h THR 26 Cb 0.49 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 2jcb h THR 26 CO 0.04 0.10 0.08 -0.07 0.37 0.00 0.00 175.52 176.04 2jcb h LEU 27 N 0.02 0.94 -0.71 2.58 3.38 -1.19 -0.30 115.31 120.02 2jcb h LEU 27 Ca 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2jcb h LEU 27 Cb 0.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2jcb h LEU 27 CO -0.00 0.97 0.35 0.28 0.09 0.00 0.00 178.44 180.13 2jcb h SER 28 N 0.87 0.93 -0.29 -0.43 0.02 -1.15 -0.88 113.55 112.61 2jcb h SER 28 Ca 0.18 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2jcb h SER 28 Cb 0.44 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2jcb h SER 28 CO 0.01 0.79 0.15 -0.33 -1.14 0.00 0.00 176.83 176.32 2jcb h GLU 29 N 0.99 0.31 -0.67 3.45 5.08 -0.87 -1.99 114.58 120.89 2jcb h GLU 29 Ca 0.25 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2jcb h GLU 29 Cb 0.10 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2jcb h GLU 29 CO -0.03 0.21 0.30 1.96 -1.00 0.00 0.00 179.01 180.44 2jcb h GLN 30 N 0.32 0.99 -0.18 2.33 4.20 -0.64 -1.27 115.11 120.86 2jcb h GLN 30 Ca 0.12 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2jcb h GLN 30 Cb 0.02 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 2jcb h GLN 30 CO -0.07 0.80 -0.11 0.82 -0.67 0.00 0.00 178.83 179.61 2jcb h ILE 31 N 0.94 1.32 -0.16 2.54 2.04 -1.05 -2.30 117.51 120.84 2jcb h ILE 31 Ca 0.23 -1.18 -0.12 0.00 1.00 0.00 0.00 64.86 64.78 2jcb h ILE 31 Cb 0.16 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 2jcb h ILE 31 CO -0.02 0.35 -0.42 -0.37 0.00 0.00 0.00 178.15 177.69 2jcb h VAL 32 N 0.07 1.31 -0.81 1.67 -1.51 -1.31 -0.85 116.25 114.81 2jcb h VAL 32 Ca 0.04 -1.56 0.02 0.00 -1.23 0.00 0.00 66.70 63.97 2jcb h VAL 32 Cb 0.60 1.65 -0.05 0.00 -2.13 0.00 0.00 31.29 31.36 2jcb h VAL 32 CO 0.03 0.48 0.53 0.15 -1.23 0.00 0.00 177.57 177.52 2jcb h PHE 33 N 0.30 0.99 -0.36 5.19 3.57 -1.02 -1.75 116.94 123.86 2jcb h PHE 33 Ca 0.03 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.43 2jcb h PHE 33 Cb 0.86 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2jcb h PHE 33 CO 0.02 0.59 -0.25 1.03 -2.23 0.00 0.00 178.31 177.47 2jcb h SER 34 N 1.04 0.84 -0.62 0.41 0.87 -0.84 -2.87 113.55 112.38 2jcb h SER 34 Ca 0.31 -0.44 0.13 0.00 -1.23 0.00 0.00 61.79 60.57 2jcb h SER 34 Cb -0.04 -0.23 -0.11 0.00 -0.44 0.00 0.00 62.40 61.57 2jcb h SER 34 CO -0.09 1.10 -0.08 0.25 -0.53 0.00 0.00 176.83 177.48 2jcb h LEU 35 N 0.59 -0.42 -0.93 2.23 5.85 -0.50 -1.76 115.31 120.37 2jcb h LEU 35 Ca 0.07 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2jcb h LEU 35 Cb 0.82 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2jcb h LEU 35 CO 0.07 -0.16 0.00 1.88 -0.34 0.00 0.00 178.44 179.88 2jcb h TYR 36 N 0.05 0.00 0.00 1.25 0.05 -1.12 -1.34 116.97 115.87 2jcb h TYR 36 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.09 2jcb h TYR 36 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2jcb h TYR 36 CO -0.44 0.00 -0.19 0.39 -1.05 0.00 0.00 178.16 176.87 2jcb n GLU 37 N -2.45 0.06 -2.51 4.88 1.02 -0.67 -4.67 120.64 116.29 2jcb n GLU 37 Ca 0.02 0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.78 2jcb n GLU 37 Cb 0.24 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.07 2jcb n GLU 37 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2jcb s GLN 38 N -3.03 4.62 0.25 3.49 -1.52 -0.50 -4.95 119.66 118.02 2jcb s GLN 38 Ca 0.12 1.73 -0.03 0.00 -1.95 0.00 0.00 55.36 55.23 2jcb s GLN 38 Cb 0.17 -3.26 0.49 0.00 -0.22 0.00 0.00 33.01 30.19 2jcb s GLN 38 CO 0.60 0.13 1.76 -0.22 -0.25 0.00 0.00 175.29 177.30 2jcb h LYS 39 N 4.76 0.55 0.00 2.91 3.64 -1.91 -1.85 116.57 124.68 2jcb h LYS 39 Ca -0.45 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 2jcb h LYS 39 Cb 1.21 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2jcb h LYS 39 CO 0.71 0.37 -0.24 1.05 -2.27 0.00 0.00 179.45 179.07 2jcb h GLU 40 N 0.57 0.00 0.24 1.90 9.09 -1.93 -0.80 114.58 123.65 2jcb h GLU 40 Ca 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.83 2jcb h GLU 40 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 2jcb h GLU 40 CO -0.36 0.24 -0.12 2.35 0.05 0.00 0.00 179.01 181.17 2jcb h TRP 41 N 0.00 -0.30 -0.94 2.06 2.91 -1.65 -2.68 115.95 115.35 2jcb h TRP 41 Ca -0.00 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.11 2jcb h TRP 41 Cb 0.65 0.10 -0.08 0.00 -0.51 0.00 0.00 29.16 29.33 2jcb h TRP 41 CO 0.00 0.06 0.58 0.00 -1.03 0.00 0.00 178.44 178.04 2jcb h ALA 42 N -0.16 1.37 0.00 2.65 0.00 -1.03 -2.58 119.26 119.50 2jcb h ALA 42 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jcb h ALA 42 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jcb h ALA 42 CO 0.06 0.22 -0.34 0.93 0.00 0.00 0.00 179.25 180.12 2jcb h GLU 43 N 0.95 0.00 -6.51 0.00 5.08 -1.23 -3.46 114.58 109.41 2jcb h GLU 43 Ca 0.45 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.28 2jcb h GLU 43 Cb 0.39 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.65 2jcb h GLU 43 CO -0.24 0.00 0.62 0.00 -1.00 0.00 0.00 179.01 178.39 2jcb s ALA 44 N -3.23 3.47 -0.09 3.43 0.00 -0.97 -4.91 121.76 119.46 2jcb s ALA 44 Ca 0.06 0.96 0.22 0.00 0.00 0.00 0.00 51.96 53.19 2jcb s ALA 44 Cb 0.08 -3.48 -0.24 0.00 0.00 0.00 0.00 23.12 19.48 2jcb s ALA 44 CO 0.70 -0.50 0.62 1.63 0.00 0.00 0.00 175.76 178.20 2jcb n LYS 45 N 3.90 0.65 -4.35 0.00 4.76 -1.26 -4.88 118.16 116.98 2jcb n LYS 45 Ca 0.10 -0.10 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 2jcb n LYS 45 Cb 0.45 -1.61 -0.17 0.00 -1.84 0.00 0.00 35.03 31.86 2jcb n LYS 45 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2jcb s THR 46 N -3.42 0.89 -0.04 -0.18 2.01 -1.26 -0.90 115.64 112.74 2jcb s THR 46 Ca -0.06 -0.32 0.06 0.00 0.31 0.00 0.00 61.69 61.68 2jcb s THR 46 Cb 0.12 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 2jcb s THR 46 CO 0.87 0.31 -0.21 -0.63 -0.69 0.00 0.00 174.62 174.27 2jcb s ILE 47 N 0.89 1.75 -0.17 1.82 1.01 -0.38 -0.96 121.20 125.16 2jcb s ILE 47 Ca -0.11 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.55 2jcb s ILE 47 Cb -0.15 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2jcb s ILE 47 CO 0.01 0.49 0.10 -0.83 0.00 0.00 0.00 174.94 174.71 2jcb s GLY 48 N -0.20 2.00 0.17 6.18 0.00 0.26 -1.06 107.32 114.67 2jcb s GLY 48 Ca -0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 44.72 43.86 2jcb s GLY 48 CO 0.02 -0.04 0.43 -1.50 0.00 0.00 0.00 173.10 172.01 2jcb s ILE 49 N -0.00 0.05 0.28 0.90 2.07 -0.25 -0.44 121.20 123.81 2jcb s ILE 49 Ca 0.08 -0.86 0.07 0.00 -1.41 0.00 0.00 60.65 58.53 2jcb s ILE 49 Cb -0.12 -1.51 -0.03 0.00 0.13 0.00 0.00 42.46 40.93 2jcb s ILE 49 CO 0.00 -0.23 0.23 0.42 -1.91 0.00 0.00 174.94 173.46 2jcb s THR 50 N -3.87 4.16 -0.34 4.00 -4.23 -1.26 -4.08 115.64 110.02 2jcb s THR 50 Ca 0.09 -1.38 -0.18 0.00 -1.18 0.00 0.00 61.69 59.04 2jcb s THR 50 Cb 0.01 -3.34 -0.01 0.00 1.34 0.00 0.00 72.50 70.50 2jcb s THR 50 CO -0.05 -0.29 0.49 -0.76 -0.54 0.00 0.00 174.62 173.47 2jcb s LEU 51 N -3.90 4.31 0.63 4.79 1.43 -1.26 -4.79 118.68 119.89 2jcb s LEU 51 Ca 0.36 0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 53.32 2jcb s LEU 51 Cb -0.07 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 2jcb s LEU 51 CO 0.26 -0.43 1.12 -0.94 0.23 0.00 0.00 176.35 176.58 2jcb s SER 52 N 1.73 5.27 0.25 2.29 1.04 -1.26 -4.91 113.70 118.10 2jcb s SER 52 Ca 0.18 2.05 0.05 0.00 0.48 0.00 0.00 55.95 58.71 2jcb s SER 52 Cb -0.16 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.35 2jcb s SER 52 CO 0.13 -1.52 -0.03 -0.04 0.98 0.00 0.00 173.24 172.75 2jcb s MET 53 N -3.88 1.42 0.00 4.02 -1.94 -1.26 -4.92 119.30 112.74 2jcb s MET 53 Ca 0.69 -1.71 0.00 0.00 -1.71 0.00 0.00 55.69 52.95 2jcb s MET 53 Cb -0.21 -0.85 0.00 0.00 2.01 0.00 0.00 34.83 35.77 2jcb s MET 53 CO 0.38 -0.03 0.00 -0.85 -0.01 0.00 0.00 175.02 174.51 2jcb n GLU 54 N -0.48 0.00 -0.55 2.03 0.00 -1.26 -1.41 120.64 118.97 2jcb n GLU 54 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.21 2jcb n GLU 54 Cb 0.63 0.00 0.35 0.00 0.00 0.00 0.00 31.44 32.43 2jcb n GLU 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2jcb n ASN 55 N 1.30 4.52 -4.74 -1.84 3.02 -1.26 -4.98 115.26 111.29 2jcb n ASN 55 Ca 0.00 -2.30 -0.39 0.00 -0.03 0.00 0.00 54.58 51.85 2jcb n ASN 55 Cb 0.00 -0.56 0.03 0.00 -0.61 0.00 0.00 39.78 38.65 2jcb n ASN 55 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2jcb n GLU 56 N 1.31 1.84 -1.63 3.52 1.02 -0.50 -4.83 120.64 121.37 2jcb n GLU 56 Ca 0.26 0.67 -0.64 0.00 -0.02 0.00 0.00 57.16 57.43 2jcb n GLU 56 Cb 0.81 -2.55 -0.09 0.00 -0.02 0.00 0.00 31.44 29.59 2jcb n GLU 56 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2jcb n VAL 57 N -0.75 0.00 -2.03 2.62 0.31 -1.26 -4.72 118.33 112.50 2jcb n VAL 57 Ca 0.09 -0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.99 2jcb n VAL 57 Cb 0.43 -0.27 -0.03 0.00 -0.91 0.00 0.00 33.84 33.06 2jcb n VAL 57 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2jcb s ASN 58 N 1.61 6.15 0.02 4.52 2.47 -1.26 -4.74 114.94 123.71 2jcb s ASN 58 Ca 0.98 1.54 0.23 0.00 0.42 0.00 0.00 52.86 56.04 2jcb s ASN 58 Cb -1.39 -2.53 0.17 0.00 -1.45 0.00 0.00 41.25 36.05 2jcb s ASN 58 CO 0.70 -1.46 1.16 0.35 -3.72 0.00 0.00 177.10 174.13 2jcb n THR 59 N 6.85 0.06 -0.09 -5.21 -2.24 -1.26 -4.44 114.28 107.95 2jcb n THR 59 Ca 0.21 -0.08 -0.07 0.00 -2.27 0.00 0.00 64.05 61.84 2jcb n THR 59 Cb 0.46 0.41 0.01 0.00 -2.10 0.00 0.00 70.33 69.11 2jcb n THR 59 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2jcb h TYR 60 N 0.00 0.19 -0.10 4.78 -1.99 -1.89 -1.43 116.97 116.53 2jcb h TYR 60 Ca 0.00 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.78 2jcb h TYR 60 Cb 0.58 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.27 2jcb h TYR 60 CO 0.00 0.08 0.09 -1.35 -0.00 0.00 0.00 178.16 176.98 2jcb h PRO 61 N 0.24 0.00 -0.08 4.88 0.11 -2.01 -2.28 132.00 132.87 2jcb h PRO 61 Ca 0.15 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 2jcb h PRO 61 Cb 0.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 2jcb h PRO 61 CO -0.16 0.00 -0.11 0.82 -0.21 0.00 0.00 178.00 178.34 2jcb h ILE 62 N 0.00 1.39 -0.71 4.15 2.04 -1.54 -1.50 117.51 121.34 2jcb h ILE 62 Ca 0.05 -1.34 0.07 0.00 1.00 0.00 0.00 64.86 64.65 2jcb h ILE 62 Cb 0.23 2.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 2jcb h ILE 62 CO -0.00 0.37 0.39 0.40 0.00 0.00 0.00 178.15 179.31 2jcb h ILE 63 N -0.25 0.93 -0.89 -0.67 2.04 -0.99 -0.92 117.51 116.76 2jcb h ILE 63 Ca 0.01 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.64 2jcb h ILE 63 Cb 0.65 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2jcb h ILE 63 CO 0.02 0.13 0.59 -0.33 0.00 0.00 0.00 178.15 178.56 2jcb h GLU 64 N 0.70 1.17 -0.13 2.37 5.08 -1.21 -0.80 114.58 121.75 2jcb h GLU 64 Ca 0.33 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2jcb h GLU 64 Cb 0.26 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2jcb h GLU 64 CO -0.21 0.77 0.00 -0.22 -1.00 0.00 0.00 179.01 178.35 2jcb h LYS 65 N 1.20 0.23 -0.33 2.33 1.63 -0.92 -0.76 116.57 119.96 2jcb h LYS 65 Ca 0.33 -0.07 0.06 0.00 -0.85 0.00 0.00 60.65 60.11 2jcb h LYS 65 Cb -0.14 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.42 2jcb h LYS 65 CO -0.07 0.47 0.01 0.00 -3.45 0.00 0.00 179.45 176.41 2jcb h ALA 66 N 0.76 0.31 -0.65 5.00 0.00 -0.98 -0.60 119.26 123.10 2jcb h ALA 66 Ca 0.04 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2jcb h ALA 66 Cb 0.36 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2jcb h ALA 66 CO 0.01 -0.39 0.34 -1.49 0.00 0.00 0.00 179.25 177.71 2jcb h TRP 67 N 0.11 0.62 -0.63 0.00 6.55 -1.01 0.97 115.95 122.55 2jcb h TRP 67 Ca 0.16 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 60.01 2jcb h TRP 67 Cb 0.21 -0.18 -0.03 0.00 -0.86 0.00 0.00 29.16 28.30 2jcb h TRP 67 CO -0.23 0.27 0.35 -0.22 -1.05 0.00 0.00 178.44 177.56 2jcb h LYS 68 N 0.62 0.87 -0.00 0.49 3.64 -0.37 -2.01 116.57 119.82 2jcb h LYS 68 Ca 0.30 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2jcb h LYS 68 Cb 0.24 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2jcb h LYS 68 CO -0.21 0.64 -0.01 0.39 -2.27 0.00 0.00 179.45 177.99 2jcb n GLU 69 N -4.38 1.08 -1.02 1.90 1.02 -0.30 -4.92 120.64 114.02 2jcb n GLU 69 Ca 0.06 -0.24 -0.01 0.00 -0.02 0.00 0.00 57.16 56.95 2jcb n GLU 69 Cb 0.10 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2jcb n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jcb n GLY 70 N 1.08 0.47 3.85 0.62 0.00 -0.75 -5.04 105.19 105.42 2jcb n GLY 70 Ca 0.21 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 2jcb n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jcb s LYS 71 N -1.49 3.94 0.05 1.61 1.02 0.27 -5.01 119.74 120.13 2jcb s LYS 71 Ca 0.00 0.68 -0.23 0.00 0.02 0.00 0.00 55.97 56.44 2jcb s LYS 71 Cb 0.00 -2.36 -0.06 0.00 -0.52 0.00 0.00 37.83 34.89 2jcb s LYS 71 CO 0.00 0.02 0.69 0.50 -0.92 0.00 0.00 175.35 175.64 2jcb s ARG 72 N -3.43 4.41 -0.14 1.68 3.52 -0.08 -4.23 118.95 120.68 2jcb s ARG 72 Ca 0.55 0.93 -0.00 0.00 -0.13 0.00 0.00 55.73 57.07 2jcb s ARG 72 Cb -0.10 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 2jcb s ARG 72 CO 0.23 0.40 -0.13 0.08 -0.81 0.00 0.00 175.30 175.07 2jcb s VAL 73 N -0.39 2.99 -0.04 7.11 1.01 -1.26 -1.25 120.40 128.58 2jcb s VAL 73 Ca 0.34 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.71 2jcb s VAL 73 Cb -0.20 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2jcb s VAL 73 CO 0.21 0.52 -0.23 0.68 0.00 0.00 0.00 175.10 176.28 2jcb s VAL 74 N 0.53 1.83 0.08 2.92 -7.23 -0.23 -1.36 120.40 116.95 2jcb s VAL 74 Ca -0.09 -0.96 0.06 0.00 -1.81 0.00 0.00 61.98 59.19 2jcb s VAL 74 Cb -0.16 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 2jcb s VAL 74 CO 0.04 0.52 -0.16 0.68 -0.31 0.00 0.00 175.10 175.86 2jcb s VAL 75 N -0.23 1.28 0.22 1.32 -7.23 -0.61 -1.09 120.40 114.07 2jcb s VAL 75 Ca 0.00 -1.37 -0.19 0.00 -1.81 0.00 0.00 61.98 58.61 2jcb s VAL 75 Cb -0.12 -1.21 -0.08 0.00 0.56 0.00 0.00 36.38 35.54 2jcb s VAL 75 CO 0.02 -0.18 0.71 -2.16 -0.31 0.00 0.00 175.10 173.19 2jcb s PRO 76 N -1.78 4.23 -0.23 4.82 0.04 -1.26 -0.71 135.00 140.11 2jcb s PRO 76 Ca 0.00 0.84 -0.06 0.00 0.04 0.00 0.00 61.00 61.83 2jcb s PRO 76 Cb -0.10 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 2jcb s PRO 76 CO 0.03 0.39 0.02 0.21 0.04 0.00 0.00 177.00 177.69 2jcb s LYS 77 N -2.00 3.58 -0.00 4.56 2.20 -0.24 -4.50 119.74 123.34 2jcb s LYS 77 Ca 0.43 -0.52 -0.20 0.00 -0.36 0.00 0.00 55.97 55.32 2jcb s LYS 77 Cb -0.16 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2jcb s LYS 77 CO 0.21 -0.13 0.56 0.00 -0.36 0.00 0.00 175.35 175.63 2jcb s ASN 79 N -0.32 5.96 0.42 0.00 3.84 0.08 -4.97 114.94 119.95 2jcb s ASN 79 Ca 0.29 -0.97 0.17 0.00 0.21 0.00 0.00 52.86 52.56 2jcb s ASN 79 Cb -0.18 -2.11 0.92 0.00 -0.55 0.00 0.00 41.25 39.33 2jcb s ASN 79 CO 0.16 -0.44 1.88 0.11 -2.79 0.00 0.00 177.10 176.03 2jcb h LYS 80 N 8.56 0.00 -0.09 0.43 1.57 -1.96 0.33 116.57 125.41 2jcb h LYS 80 Ca -0.26 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 2jcb h LYS 80 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 2jcb h LYS 80 CO 0.72 0.29 -0.06 0.93 -0.57 0.00 0.00 179.45 180.76 2jcb h GLU 81 N 0.00 0.19 -0.01 3.15 5.08 -1.96 -3.29 114.58 117.74 2jcb h GLU 81 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2jcb h GLU 81 Cb 0.59 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2jcb h GLU 81 CO 0.04 0.59 -0.70 0.25 -1.00 0.00 0.00 179.01 178.19 2jcb n THR 82 N -4.71 0.00 -3.09 1.13 -2.24 -1.18 -4.97 114.28 99.21 2jcb n THR 82 Ca -0.07 -0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 2jcb n THR 82 Cb 0.29 0.94 0.02 0.00 -2.10 0.00 0.00 70.33 69.48 2jcb n THR 82 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jcb n ARG 83 N -0.93 -4.26 -4.03 -0.78 3.00 0.12 -5.00 116.66 104.79 2jcb n ARG 83 Ca 0.07 0.76 -0.22 0.00 -0.01 0.00 0.00 57.85 58.45 2jcb n ARG 83 Cb 0.38 -5.57 -0.04 0.00 0.00 0.00 0.00 32.46 27.23 2jcb n ARG 83 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2jcb s THR 84 N -3.08 3.96 -0.04 0.55 -4.23 -1.13 -4.73 115.64 106.96 2jcb s THR 84 Ca 0.32 -1.46 0.06 0.00 -1.18 0.00 0.00 61.69 59.43 2jcb s THR 84 Cb -0.15 -3.25 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 2jcb s THR 84 CO 0.39 -0.28 -0.23 -0.04 -0.54 0.00 0.00 174.62 173.92 2jcb s MET 85 N -3.88 2.11 -0.37 3.99 -1.94 -1.26 -0.74 119.30 117.21 2jcb s MET 85 Ca 0.36 -0.82 -0.06 0.00 -1.71 0.00 0.00 55.69 53.45 2jcb s MET 85 Cb -0.07 -1.90 0.06 0.00 2.01 0.00 0.00 34.83 34.93 2jcb s MET 85 CO 0.25 0.42 0.15 0.45 -0.01 0.00 0.00 175.02 176.28 2jcb s SER 86 N -0.31 5.36 -0.04 3.03 0.15 -0.23 -4.92 113.70 116.74 2jcb s SER 86 Ca 0.02 -1.37 -0.30 0.00 0.70 0.00 0.00 55.95 55.00 2jcb s SER 86 Cb -0.11 -1.88 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 2jcb s SER 86 CO 0.01 -0.41 1.07 -0.36 1.20 0.00 0.00 173.24 174.76 2jcb s PHE 87 N 1.36 3.46 -0.01 3.44 0.08 -1.26 -1.07 117.98 123.98 2jcb s PHE 87 Ca 0.01 1.49 0.05 0.00 0.12 0.00 0.00 56.93 58.59 2jcb s PHE 87 Cb -0.21 -3.26 -0.01 0.00 -0.57 0.00 0.00 43.02 38.97 2jcb s PHE 87 CO 0.01 -0.58 -0.15 1.03 -0.10 0.00 0.00 175.22 175.44 2jcb s ARG 88 N 1.68 1.16 0.24 0.44 0.52 0.11 -0.90 118.95 122.20 2jcb s ARG 88 Ca 0.52 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.90 2jcb s ARG 88 Cb -0.22 -1.13 -0.09 0.00 0.52 0.00 0.00 34.95 34.03 2jcb s ARG 88 CO 0.23 0.31 1.22 -1.14 0.02 0.00 0.00 175.30 175.93 2jcb s GLN 89 N -0.41 4.48 -0.06 3.54 0.74 -0.27 -1.57 119.66 126.12 2jcb s GLN 89 Ca 0.05 1.96 0.04 0.00 0.05 0.00 0.00 55.36 57.46 2jcb s GLN 89 Cb -0.06 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 30.87 2jcb s GLN 89 CO -0.00 -0.06 -0.17 0.96 -0.55 0.00 0.00 175.29 175.46 2jcb s ILE 90 N -0.52 1.49 -0.04 -2.34 -4.36 -0.46 -4.09 121.20 110.88 2jcb s ILE 90 Ca 0.51 -0.72 0.18 0.00 -0.26 0.00 0.00 60.65 60.35 2jcb s ILE 90 Cb -0.35 -1.30 -0.28 0.00 1.25 0.00 0.00 42.46 41.79 2jcb s ILE 90 CO 0.41 0.43 0.37 -1.20 0.24 0.00 0.00 174.94 175.19 2jcb n SER 91 N 3.37 0.81 -3.65 4.36 7.64 -1.26 -4.34 113.62 120.55 2jcb n SER 91 Ca -0.19 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.58 2jcb n SER 91 Cb 0.53 1.75 -0.04 0.00 -1.01 0.00 0.00 64.21 65.43 2jcb n SER 91 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jcb s ASN 92 N -4.20 -0.25 0.02 6.43 2.20 -1.26 -5.05 114.94 112.82 2jcb s ASN 92 Ca -0.07 -0.35 0.21 0.00 -0.94 0.00 0.00 52.86 51.71 2jcb s ASN 92 Cb 0.11 0.50 0.90 0.00 -2.00 0.00 0.00 41.25 40.76 2jcb s ASN 92 CO 0.76 -0.90 1.68 0.49 -2.94 0.00 0.00 177.10 176.18 2jcb n PHE 93 N -0.26 0.07 0.99 1.54 3.72 -1.26 -2.45 117.46 119.82 2jcb n PHE 93 Ca -0.14 0.03 0.11 0.00 -0.05 0.00 0.00 57.45 57.39 2jcb n PHE 93 Cb 0.64 -0.54 0.54 0.00 -0.94 0.00 0.00 39.48 39.17 2jcb n PHE 93 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2jcb n ASP 94 N -1.56 0.00 -0.48 4.37 9.92 -1.26 -2.20 116.55 125.34 2jcb n ASP 94 Ca 0.05 0.06 0.10 0.00 -0.53 0.00 0.00 54.79 54.47 2jcb n ASP 94 Cb 0.25 -0.32 0.38 0.00 -0.64 0.00 0.00 41.12 40.79 2jcb n ASP 94 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jcb n GLN 95 N -1.32 1.63 -3.99 -1.24 6.02 -1.02 -4.86 117.38 112.60 2jcb n GLN 95 Ca 0.10 -0.95 -0.30 0.00 -0.01 0.00 0.00 57.00 55.83 2jcb n GLN 95 Cb 0.19 -1.37 -0.05 0.00 1.02 0.00 0.00 30.24 30.03 2jcb n GLN 95 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jcb s LEU 96 N -1.53 4.07 0.18 1.08 1.43 -0.93 -0.79 118.68 122.19 2jcb s LEU 96 Ca 0.31 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.56 2jcb s LEU 96 Cb 0.16 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 2jcb s LEU 96 CO 0.25 0.15 -0.07 -1.83 0.23 0.00 0.00 176.35 175.08 2jcb s GLU 97 N -2.58 1.18 -0.34 1.70 -1.05 0.19 -4.85 118.70 112.94 2jcb s GLU 97 Ca 0.32 -1.54 -0.18 0.00 -0.15 0.00 0.00 54.97 53.42 2jcb s GLU 97 Cb -0.12 -0.64 -0.01 0.00 -0.44 0.00 0.00 34.13 32.92 2jcb s GLU 97 CO 0.25 0.02 0.51 0.99 0.95 0.00 0.00 175.26 177.97 2jcb s THR 98 N -3.35 5.03 -2.17 1.83 2.01 -1.26 -0.75 115.64 116.99 2jcb s THR 98 Ca 0.21 0.37 0.20 0.00 0.31 0.00 0.00 61.69 62.79 2jcb s THR 98 Cb 0.04 -3.95 0.50 0.00 0.01 0.00 0.00 72.50 69.10 2jcb s THR 98 CO 0.04 -0.19 1.45 1.33 -0.69 0.00 0.00 174.62 176.56 2jcb n VAL 99 N 5.40 0.66 0.00 3.82 0.24 0.02 -4.89 118.33 123.58 2jcb n VAL 99 Ca -0.05 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 2jcb n VAL 99 Cb 0.49 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 2jcb n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jcb n TYR 100 N 1.23 0.00 0.00 6.34 0.18 -1.23 -4.95 117.16 118.72 2jcb n TYR 100 Ca 0.20 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.98 2jcb n TYR 100 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 2jcb n TYR 100 CO 0.00 0.00 0.00 -0.12 -2.08 0.00 0.00 176.86 174.66 2jcb n MET 101 N 0.00 0.00 0.00 -3.48 0.00 -1.26 -1.09 117.12 111.29 2jcb n MET 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2jcb n MET 101 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2jcb n MET 101 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2jcb n ASN 102 N 1.32 1.24 -4.55 6.12 4.13 -1.26 -5.03 115.26 117.23 2jcb n ASN 102 Ca 0.00 -1.36 -0.41 0.00 1.68 0.00 0.00 54.58 54.49 2jcb n ASN 102 Cb 0.00 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.15 2jcb n ASN 102 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2jcb s LEU 103 N -0.36 4.41 -0.15 3.41 2.96 -0.25 -4.97 118.68 123.74 2jcb s LEU 103 Ca 0.00 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 2jcb s LEU 103 Cb 0.00 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 2jcb s LEU 103 CO 0.00 -0.42 0.06 -0.13 -1.32 0.00 0.00 176.35 174.54 2jcb s ARG 104 N 2.20 3.63 0.05 1.98 0.52 -1.26 -0.80 118.95 125.27 2jcb s ARG 104 Ca 0.15 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 2jcb s ARG 104 Cb -0.16 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 2jcb s ARG 104 CO 0.12 0.48 -0.05 -1.21 0.02 0.00 0.00 175.30 174.67 2jcb s GLU 105 N -0.23 0.56 0.37 3.54 2.02 0.07 -4.83 118.70 120.20 2jcb s GLU 105 Ca 0.08 -0.99 -0.28 0.00 0.02 0.00 0.00 54.97 53.80 2jcb s GLU 105 Cb -0.12 0.01 -0.10 0.00 0.10 0.00 0.00 34.13 34.03 2jcb s GLU 105 CO 0.01 -0.05 1.34 -1.25 0.02 0.00 0.00 175.26 175.34 2jcb s PRO 106 N -2.81 4.18 -0.39 0.39 0.04 -1.26 -0.63 135.00 134.51 2jcb s PRO 106 Ca -0.01 2.27 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 2jcb s PRO 106 Cb -0.01 -2.95 0.02 0.00 0.04 0.00 0.00 34.50 31.61 2jcb s PRO 106 CO -0.05 -0.36 1.12 0.42 0.04 0.00 0.00 177.00 178.18 2jcb s ILE 107 N -1.18 4.35 0.28 0.56 1.01 0.03 -4.82 121.20 121.43 2jcb s ILE 107 Ca 0.52 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.65 2jcb s ILE 107 Cb -0.41 -4.48 0.30 0.00 0.01 0.00 0.00 42.46 37.88 2jcb s ILE 107 CO 0.54 -0.72 1.65 -0.65 0.00 0.00 0.00 174.94 175.76 2jcb h PRO 108 N 8.70 0.21 0.00 2.79 0.11 -1.90 0.25 132.00 142.15 2jcb h PRO 108 Ca -0.22 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 2jcb h PRO 108 Cb 1.06 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2jcb h PRO 108 CO 1.08 0.14 -0.02 0.00 -0.21 0.00 0.00 178.00 178.98 2jcb h ALA 109 N 1.75 1.05 -0.17 -0.75 0.00 -1.99 -2.96 119.26 116.19 2jcb h ALA 109 Ca 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2jcb h ALA 109 Cb 1.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jcb h ALA 109 CO -0.64 0.03 0.00 1.28 0.00 0.00 0.00 179.25 179.92 2jcb n LEU 110 N -3.19 2.36 -4.05 0.00 4.77 0.01 -5.03 117.00 111.87 2jcb n LEU 110 Ca -0.01 -1.71 -0.08 0.00 -0.03 0.00 0.00 56.01 54.17 2jcb n LEU 110 Cb 0.19 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 2jcb n LEU 110 CO 0.25 0.57 -0.36 0.42 -1.33 0.00 0.00 177.39 176.93 2jcb s THR 111 N -0.90 0.21 -0.14 -5.08 -4.23 -0.83 -4.94 115.64 99.73 2jcb s THR 111 Ca 0.14 -1.45 -0.01 0.00 -1.18 0.00 0.00 61.69 59.19 2jcb s THR 111 Cb 0.08 -1.01 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 2jcb s THR 111 CO 0.11 -0.78 -0.10 -1.61 -0.54 0.00 0.00 174.62 171.69 2jcb s GLU 112 N -2.90 3.44 0.36 3.99 2.02 -1.26 -4.82 118.70 119.53 2jcb s GLU 112 Ca -0.02 -0.65 -0.28 0.00 0.02 0.00 0.00 54.97 54.04 2jcb s GLU 112 Cb 0.00 -2.72 -0.11 0.00 0.10 0.00 0.00 34.13 31.40 2jcb s GLU 112 CO -0.06 0.18 1.46 -2.00 0.02 0.00 0.00 175.26 174.86 2jcb s GLU 113 N 0.47 4.16 -0.14 1.61 2.12 -1.26 -1.11 118.70 124.55 2jcb s GLU 113 Ca -0.08 2.50 0.01 0.00 0.36 0.00 0.00 54.97 57.77 2jcb s GLU 113 Cb -0.15 -2.99 -0.00 0.00 0.26 0.00 0.00 34.13 31.24 2jcb s GLU 113 CO 0.04 -0.48 -0.18 0.08 -0.54 0.00 0.00 175.26 174.18 2jcb s VAL 114 N -1.00 2.45 0.41 3.70 1.01 -0.07 -4.90 120.40 121.99 2jcb s VAL 114 Ca 0.53 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 2jcb s VAL 114 Cb -0.45 -2.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.83 2jcb s VAL 114 CO 0.60 0.53 1.42 0.21 0.00 0.00 0.00 175.10 177.86 2jcb s ASN 115 N 0.65 6.18 0.42 3.32 3.84 -1.26 -4.55 114.94 123.54 2jcb s ASN 115 Ca -0.09 2.91 0.18 0.00 0.21 0.00 0.00 52.86 56.07 2jcb s ASN 115 Cb -0.16 -2.66 1.10 0.00 -0.55 0.00 0.00 41.25 38.98 2jcb s ASN 115 CO 0.02 -0.97 1.85 0.00 -2.79 0.00 0.00 177.10 175.22 2jcb h ALA 116 N 2.71 2.23 0.00 1.71 0.00 -1.95 -0.43 119.26 123.53 2jcb h ALA 116 Ca -0.51 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jcb h ALA 116 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jcb h ALA 116 CO 0.63 -0.52 0.00 -0.40 0.00 0.00 0.00 179.25 178.96 2jcb n ASP 117 N -4.51 0.00 -0.69 0.00 5.68 -1.26 -2.38 116.55 113.39 2jcb n ASP 117 Ca 0.19 -0.38 0.08 0.00 -0.50 0.00 0.00 54.79 54.19 2jcb n ASP 117 Cb 0.72 -0.14 0.08 0.00 -1.14 0.00 0.00 41.12 40.64 2jcb n ASP 117 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2jcb n GLU 118 N -1.14 1.41 -3.68 0.11 1.02 -0.17 -4.93 120.64 113.26 2jcb n GLU 118 Ca 0.14 -1.55 -0.38 0.00 -0.02 0.00 0.00 57.16 55.35 2jcb n GLU 118 Cb 0.12 -1.33 -0.12 0.00 -0.02 0.00 0.00 31.44 30.10 2jcb n GLU 118 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jcb s ILE 119 N -1.37 4.65 0.07 -3.67 1.01 -1.00 -4.66 121.20 116.23 2jcb s ILE 119 Ca 0.20 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 2jcb s ILE 119 Cb 0.14 -3.25 -0.28 0.00 0.01 0.00 0.00 42.46 39.08 2jcb s ILE 119 CO 0.21 0.23 1.14 0.44 0.00 0.00 0.00 174.94 176.96 2jcb h ASP 120 N 8.31 0.65 -3.57 3.58 3.32 -1.36 -3.43 116.42 123.92 2jcb h ASP 120 Ca -0.36 -0.63 -0.28 0.00 0.02 0.00 0.00 57.03 55.78 2jcb h ASP 120 Cb 1.17 -0.21 -0.32 0.00 0.22 0.00 0.00 39.33 40.19 2jcb h ASP 120 CO 0.58 1.47 -0.72 -0.22 -1.72 0.00 0.00 179.24 178.63 2jcb s LEU 121 N -7.54 1.28 -0.22 1.55 2.96 -1.11 -2.26 118.68 113.33 2jcb s LEU 121 Ca -0.07 0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 2jcb s LEU 121 Cb 0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 46.19 46.72 2jcb s LEU 121 CO 0.91 -0.10 -0.02 -1.10 -1.32 0.00 0.00 176.35 174.72 2jcb s GLN 122 N 0.82 3.48 -0.42 1.98 -1.52 -0.12 -0.58 119.66 123.29 2jcb s GLN 122 Ca -0.07 -0.58 -0.21 0.00 -1.95 0.00 0.00 55.36 52.56 2jcb s GLN 122 Cb -0.10 -3.07 0.02 0.00 -0.22 0.00 0.00 33.01 29.64 2jcb s GLN 122 CO -0.02 -0.14 0.67 0.42 -0.25 0.00 0.00 175.29 175.97 2jcb s ILE 123 N 1.36 4.81 -0.24 1.08 1.01 0.42 -1.66 121.20 127.98 2jcb s ILE 123 Ca 0.04 0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.87 2jcb s ILE 123 Cb -0.14 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 2jcb s ILE 123 CO -0.01 -0.56 0.14 -0.69 0.00 0.00 0.00 174.94 173.83 2jcb s VAL 124 N 2.89 5.21 0.92 2.92 1.01 0.70 -4.30 120.40 129.75 2jcb s VAL 124 Ca 0.24 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.22 2jcb s VAL 124 Cb -0.14 -3.43 0.15 0.00 0.00 0.00 0.00 36.38 32.96 2jcb s VAL 124 CO 0.19 0.35 1.16 -2.16 0.00 0.00 0.00 175.10 174.64 2jcb s PRO 125 N 1.06 1.03 0.00 2.72 0.04 -1.26 -4.34 135.00 134.25 2jcb s PRO 125 Ca 0.07 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2jcb s PRO 125 Cb -0.14 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2jcb s PRO 125 CO 0.04 -2.25 0.00 0.41 0.04 0.00 0.00 177.00 175.24 2jcb n GLY 126 N -2.41 1.29 0.10 0.56 0.00 -1.26 -4.89 105.19 98.57 2jcb n GLY 126 Ca 0.08 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 2jcb n GLY 126 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jcb n VAL 127 N -0.48 1.50 -4.12 1.61 0.31 0.62 -4.98 118.33 112.80 2jcb n VAL 127 Ca 0.00 0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 2jcb n VAL 127 Cb 0.00 -2.28 -0.11 0.00 -0.91 0.00 0.00 33.84 30.54 2jcb n VAL 127 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jcb s ALA 128 N -2.85 0.83 0.06 3.52 0.00 -0.69 -4.77 121.76 117.87 2jcb s ALA 128 Ca -0.30 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.64 2jcb s ALA 128 Cb 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2jcb s ALA 128 CO 0.44 -0.04 0.03 0.71 0.00 0.00 0.00 175.76 176.89 2jcb s TYR 129 N -2.01 0.44 0.42 0.00 2.02 -0.52 -0.81 117.35 116.88 2jcb s TYR 129 Ca -0.02 -0.95 0.07 0.00 -0.37 0.00 0.00 57.07 55.80 2jcb s TYR 129 Cb -0.06 -0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.15 2jcb s TYR 129 CO -0.00 -0.42 0.24 0.95 -1.57 0.00 0.00 175.55 174.74 2jcb s THR 130 N -3.91 2.35 0.57 -0.71 -4.23 -0.80 0.02 115.64 108.93 2jcb s THR 130 Ca 0.07 -1.60 0.26 0.00 -1.18 0.00 0.00 61.69 59.24 2jcb s THR 130 Cb 0.07 -2.95 0.36 0.00 1.34 0.00 0.00 72.50 71.32 2jcb s THR 130 CO -0.10 0.00 2.08 1.05 -0.54 0.00 0.00 174.62 177.11 2jcb h GLU 131 N 1.30 0.00 -0.02 3.99 4.11 -1.91 -1.39 114.58 120.66 2jcb h GLU 131 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2jcb h GLU 131 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2jcb h GLU 131 CO 0.66 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.28 2jcb n ARG 132 N -4.03 1.09 -0.88 1.06 1.74 -1.26 -4.62 116.66 109.75 2jcb n ARG 132 Ca 0.03 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2jcb n ARG 132 Cb 0.37 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 2jcb n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jcb n GLY 133 N 0.83 0.74 3.80 -0.13 0.00 -0.52 -4.83 105.19 105.07 2jcb n GLY 133 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2jcb n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jcb s GLU 134 N -0.12 3.36 -0.12 1.61 2.02 -1.25 -0.55 118.70 123.65 2jcb s GLU 134 Ca 0.00 1.22 -0.06 0.00 0.02 0.00 0.00 54.97 56.15 2jcb s GLU 134 Cb 0.00 -2.04 0.05 0.00 0.10 0.00 0.00 34.13 32.24 2jcb s GLU 134 CO 0.00 -0.78 0.28 0.50 0.02 0.00 0.00 175.26 175.28 2jcb s ARG 135 N -4.00 0.24 -0.17 1.61 3.52 -1.26 -1.91 118.95 116.98 2jcb s ARG 135 Ca 0.64 0.61 -0.05 0.00 -0.13 0.00 0.00 55.73 56.79 2jcb s ARG 135 Cb -0.16 -0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.11 2jcb s ARG 135 CO 0.35 -0.17 0.01 0.42 -0.81 0.00 0.00 175.30 175.10 2jcb s ILE 136 N 1.41 4.22 0.00 4.11 1.01 0.01 -4.90 121.20 127.06 2jcb s ILE 136 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.33 2jcb s ILE 136 Cb -0.10 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.49 2jcb s ILE 136 CO -0.09 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2jcb n GLY 137 N 3.67 2.27 0.35 6.18 0.00 -1.26 -0.27 105.19 116.13 2jcb n GLY 137 Ca -0.17 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.16 2jcb n GLY 137 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jcb n TYR 138 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.50 117.16 117.02 2jcb n TYR 138 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2jcb n TYR 138 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 2jcb n TYR 138 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jcb n GLY 139 N 1.38 1.52 0.15 2.72 0.00 -1.26 -4.99 105.19 104.71 2jcb n GLY 139 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 2jcb n GLY 139 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jcb h GLY 140 N 0.00 0.00 -0.66 -0.02 0.00 -2.04 -3.47 103.07 96.87 2jcb h GLY 140 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2jcb h GLY 140 CO 0.00 0.00 -0.19 0.61 0.00 0.00 0.00 176.54 176.96 2jcb n GLY 141 N 1.00 0.83 0.05 4.60 0.00 -1.26 -4.95 105.19 105.46 2jcb n GLY 141 Ca 0.01 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 2jcb n GLY 141 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2jcb h TYR 142 N 0.00 0.03 -0.12 1.61 0.05 -1.92 -2.78 116.97 113.84 2jcb h TYR 142 Ca -0.20 -0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.44 2jcb h TYR 142 Cb 0.74 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 2jcb h TYR 142 CO 0.26 0.10 -0.55 1.88 -1.05 0.00 0.00 178.16 178.80 2jcb h TYR 143 N -0.04 0.46 -0.97 4.88 -1.99 -1.92 -0.92 116.97 116.47 2jcb h TYR 143 Ca 0.01 -0.16 0.10 0.00 2.00 0.00 0.00 58.73 60.68 2jcb h TYR 143 Cb 0.07 -0.09 -0.08 0.00 2.00 0.00 0.00 36.73 38.64 2jcb h TYR 143 CO -0.05 0.83 0.60 -0.44 -0.00 0.00 0.00 178.16 179.11 2jcb h ASP 144 N 0.28 0.91 -0.01 3.88 3.32 -1.86 0.23 116.42 123.17 2jcb h ASP 144 Ca 0.00 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 2jcb h ASP 144 Cb 1.05 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.46 2jcb h ASP 144 CO 0.09 0.52 -0.44 0.03 -1.72 0.00 0.00 179.24 177.73 2jcb h ARG 145 N 1.01 0.31 -0.61 3.56 3.08 -1.22 -3.30 114.38 117.21 2jcb h ARG 145 Ca 0.46 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 2jcb h ARG 145 Cb 0.37 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 2jcb h ARG 145 CO -0.23 1.01 0.24 -0.92 -1.07 0.00 0.00 179.97 179.00 2jcb h TYR 146 N -0.27 0.93 0.00 3.04 3.20 -0.81 -2.95 116.97 120.11 2jcb h TYR 146 Ca -0.05 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.75 2jcb h TYR 146 Cb 1.16 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.15 2jcb h TYR 146 CO 0.16 0.74 0.00 1.28 -1.64 0.00 0.00 178.16 178.70 2jcb n LEU 147 N -4.45 0.54 -0.23 2.82 4.77 0.78 -2.13 117.00 119.11 2jcb n LEU 147 Ca 0.04 0.65 -0.01 0.00 -0.03 0.00 0.00 56.01 56.66 2jcb n LEU 147 Cb 0.17 -0.59 0.11 0.00 -2.33 0.00 0.00 43.42 40.77 2jcb n LEU 147 CO 0.39 -0.56 1.07 0.58 -1.33 0.00 0.00 177.39 177.54 2jcb h VAL 148 N 0.00 0.92 -0.00 4.08 2.07 -1.59 -3.22 116.25 118.50 2jcb h VAL 148 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2jcb h VAL 148 Cb 0.30 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2jcb h VAL 148 CO 0.00 0.11 -0.75 1.41 0.02 0.00 0.00 177.57 178.36 2jcb n HIS 149 N -4.84 0.00 -3.01 1.57 8.25 -0.90 -4.91 115.22 111.39 2jcb n HIS 149 Ca 0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 2jcb n HIS 149 Cb 0.21 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.27 2jcb n HIS 149 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2jcb s TYR 150 N -2.62 3.44 -1.31 4.41 5.04 -1.07 -4.93 117.35 120.32 2jcb s TYR 150 Ca 0.10 1.14 0.11 0.00 -2.44 0.00 0.00 57.07 55.98 2jcb s TYR 150 Cb 0.15 -2.89 0.14 0.00 0.35 0.00 0.00 41.96 39.70 2jcb s TYR 150 CO 0.69 -0.14 0.94 1.63 -1.34 0.00 0.00 175.55 177.34 2jcb n LYS 151 N 4.83 1.05 -0.00 4.97 4.76 -1.26 -4.90 118.16 127.61 2jcb n LYS 151 Ca 0.01 -1.36 0.00 0.00 -2.87 0.00 0.00 58.31 54.09 2jcb n LYS 151 Cb 0.50 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 2jcb n LYS 151 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jcb n GLY 152 N 0.61 -0.88 3.81 0.72 0.00 -1.26 -5.05 105.19 103.14 2jcb n GLY 152 Ca 0.08 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 2jcb n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jcb s LYS 153 N -1.20 4.31 0.05 1.61 1.02 -0.96 -4.96 119.74 119.61 2jcb s LYS 153 Ca 0.00 0.95 0.07 0.00 0.02 0.00 0.00 55.97 57.01 2jcb s LYS 153 Cb 0.00 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 2jcb s LYS 153 CO 0.00 0.37 -0.19 0.95 -0.92 0.00 0.00 175.35 175.56 2jcb s THR 154 N -1.54 1.53 0.05 2.17 -4.23 -1.26 -0.95 115.64 111.42 2jcb s THR 154 Ca 0.44 -1.18 -0.16 0.00 -1.18 0.00 0.00 61.69 59.61 2jcb s THR 154 Cb -0.17 -1.35 0.03 0.00 1.34 0.00 0.00 72.50 72.35 2jcb s THR 154 CO 0.21 0.13 0.36 -1.48 -0.54 0.00 0.00 174.62 173.31 2jcb s LEU 155 N -1.24 0.61 0.08 4.79 0.05 -0.66 -3.28 118.68 119.03 2jcb s LEU 155 Ca 0.06 -0.13 0.09 0.00 0.05 0.00 0.00 54.13 54.20 2jcb s LEU 155 Cb -0.09 1.59 -0.03 0.00 -2.05 0.00 0.00 46.19 45.61 2jcb s LEU 155 CO 0.02 -0.67 -0.23 -0.44 -0.55 0.00 0.00 176.35 174.47 2jcb s SER 156 N -2.15 2.82 -0.16 1.48 0.01 0.15 -0.21 113.70 115.64 2jcb s SER 156 Ca -0.04 -0.63 -0.06 0.00 1.31 0.00 0.00 55.95 56.53 2jcb s SER 156 Cb -0.00 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 2jcb s SER 156 CO -0.04 0.16 0.07 -0.76 0.41 0.00 0.00 173.24 173.07 2jcb s LEU 157 N -1.58 3.88 -0.12 2.44 1.43 -1.26 -0.90 118.68 122.57 2jcb s LEU 157 Ca 0.09 0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.19 2jcb s LEU 157 Cb -0.10 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.20 2jcb s LEU 157 CO 0.03 0.25 0.42 0.00 0.23 0.00 0.00 176.35 177.28 2jcb s ALA 158 N -0.07 -1.06 0.50 4.21 0.00 -0.26 -4.87 121.76 120.20 2jcb s ALA 158 Ca 0.07 1.01 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 2jcb s ALA 158 Cb -0.12 -0.46 -0.07 0.00 0.00 0.00 0.00 23.12 22.47 2jcb s ALA 158 CO 0.01 -0.23 1.11 0.71 0.00 0.00 0.00 175.76 177.36 2jcb s TYR 159 N -0.28 2.85 0.51 0.00 2.02 -1.26 -3.83 117.35 117.35 2jcb s TYR 159 Ca -0.04 1.56 0.20 0.00 -0.37 0.00 0.00 57.07 58.41 2jcb s TYR 159 Cb -0.03 -3.25 1.29 0.00 -0.40 0.00 0.00 41.96 39.57 2jcb s TYR 159 CO 0.02 -1.31 2.06 0.66 -1.57 0.00 0.00 175.55 175.42 2jcb h SER 160 N 1.61 0.05 0.51 2.29 4.64 -1.94 0.61 113.55 121.32 2jcb h SER 160 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2jcb h SER 160 Cb 1.24 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2jcb h SER 160 CO 0.59 0.03 0.00 2.22 -0.87 0.00 0.00 176.83 178.80 2jcb n PHE 161 N -4.46 0.32 0.89 4.77 1.16 -1.26 -1.43 117.46 117.45 2jcb n PHE 161 Ca 0.04 0.13 0.14 0.00 -1.87 0.00 0.00 57.45 55.88 2jcb n PHE 161 Cb 0.34 -0.71 0.54 0.00 -1.61 0.00 0.00 39.48 38.04 2jcb n PHE 161 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 2jcb n GLN 162 N -1.79 0.07 -2.53 3.97 6.02 0.21 -4.79 117.38 118.54 2jcb n GLN 162 Ca 0.02 0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 2jcb n GLN 162 Cb 0.17 -1.58 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 2jcb n GLN 162 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2jcb s MET 163 N -3.03 4.44 0.21 -1.09 -1.94 -0.51 -1.44 119.30 115.94 2jcb s MET 163 Ca 0.13 1.62 0.06 0.00 -1.71 0.00 0.00 55.69 55.78 2jcb s MET 163 Cb 0.17 -3.46 -0.05 0.00 2.01 0.00 0.00 34.83 33.51 2jcb s MET 163 CO 0.56 -0.27 -0.08 0.14 -0.01 0.00 0.00 175.02 175.36 2jcb s VAL 164 N 1.48 1.44 0.19 -6.03 -7.23 0.10 -4.92 120.40 105.43 2jcb s VAL 164 Ca 0.55 -2.12 -0.02 0.00 -1.81 0.00 0.00 61.98 58.58 2jcb s VAL 164 Cb -0.25 -2.16 -0.07 0.00 0.56 0.00 0.00 36.38 34.47 2jcb s VAL 164 CO 0.26 -0.50 1.49 -0.33 -0.31 0.00 0.00 175.10 175.70 2jcb h GLU 165 N 2.53 0.49 -2.85 4.82 4.39 -1.97 -3.39 114.58 118.60 2jcb h GLU 165 Ca -0.38 -0.33 -0.14 0.00 0.34 0.00 0.00 59.36 58.85 2jcb h GLU 165 Cb 1.22 0.05 -0.25 0.00 -0.10 0.00 0.00 28.75 29.66 2jcb h GLU 165 CO 0.64 0.94 -0.32 -1.58 -1.16 0.00 0.00 179.01 177.53 2jcb s HIS 166 N -3.89 -0.42 -0.04 4.33 5.04 -1.26 -4.89 115.29 114.15 2jcb s HIS 166 Ca -0.07 0.99 0.04 0.00 -1.54 0.00 0.00 55.06 54.49 2jcb s HIS 166 Cb 0.11 0.15 -0.00 0.00 0.04 0.00 0.00 32.58 32.88 2jcb s HIS 166 CO 0.84 -0.22 -0.17 0.42 -2.34 0.00 0.00 174.74 173.26 2jcb s ILE 167 N 0.53 1.43 -1.16 0.89 1.01 -1.26 -5.04 121.20 117.60 2jcb s ILE 167 Ca -0.03 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.71 2jcb s ILE 167 Cb -0.04 -1.23 0.07 0.00 0.01 0.00 0.00 42.46 41.27 2jcb s ILE 167 CO -0.03 0.41 1.56 -2.16 0.00 0.00 0.00 174.94 174.73 2jcb s PRO 168 N 0.03 3.82 0.18 2.79 0.04 -1.26 -4.98 135.00 135.62 2jcb s PRO 168 Ca -0.04 -1.69 -0.30 0.00 0.04 0.00 0.00 61.00 59.01 2jcb s PRO 168 Cb -0.11 -5.39 -0.08 0.00 0.04 0.00 0.00 34.50 28.96 2jcb s PRO 168 CO 0.02 -2.17 1.01 0.14 0.04 0.00 0.00 177.00 176.04 2jcb s VAL 169 N 4.20 4.10 0.38 -0.36 -7.23 -1.26 -4.97 120.40 115.26 2jcb s VAL 169 Ca 0.49 1.89 0.04 0.00 -1.81 0.00 0.00 61.98 62.59 2jcb s VAL 169 Cb 0.01 -4.21 -0.01 0.00 0.56 0.00 0.00 36.38 32.74 2jcb s VAL 169 CO -0.01 0.36 0.54 -1.61 -0.31 0.00 0.00 175.10 174.08 2jcb s GLU 170 N -0.58 3.08 0.41 4.82 2.02 -1.26 -4.99 118.70 122.20 2jcb s GLU 170 Ca 0.46 -0.83 0.10 0.00 0.02 0.00 0.00 54.97 54.72 2jcb s GLU 170 Cb -0.27 -2.73 0.91 0.00 0.10 0.00 0.00 34.13 32.15 2jcb s GLU 170 CO 0.33 -0.07 1.99 -1.35 0.02 0.00 0.00 175.26 176.18 2jcb h PRO 171 N 0.71 0.53 0.00 0.39 0.11 -2.06 -1.00 132.00 130.67 2jcb h PRO 171 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jcb h PRO 171 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jcb h PRO 171 CO 0.54 0.35 0.00 1.97 -0.21 0.00 0.00 178.00 180.65 2jcb n PHE 172 N -4.48 0.00 -2.20 0.65 1.16 -1.26 -4.87 117.46 106.47 2jcb n PHE 172 Ca 0.09 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.24 2jcb n PHE 172 Cb 0.27 -0.36 -0.03 0.00 -1.61 0.00 0.00 39.48 37.75 2jcb n PHE 172 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2jcb s ASP 173 N -2.73 6.82 -0.03 5.98 1.01 -0.38 -4.80 116.67 122.54 2jcb s ASP 173 Ca 0.21 2.10 -0.10 0.00 0.71 0.00 0.00 52.55 55.47 2jcb s ASP 173 Cb 0.18 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 2jcb s ASP 173 CO 0.43 -0.76 0.29 -0.54 0.21 0.00 0.00 175.17 174.80 2jcb s LYS 174 N 2.79 3.67 0.34 8.23 -0.14 -1.26 -4.91 119.74 128.47 2jcb s LYS 174 Ca 0.65 0.11 -0.00 0.00 -1.36 0.00 0.00 55.97 55.36 2jcb s LYS 174 Cb -0.31 -3.16 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 2jcb s LYS 174 CO 0.26 0.70 0.56 -0.80 -0.76 0.00 0.00 175.35 175.31 2jcb s ASN 175 N -1.24 6.31 0.17 2.83 0.01 -1.26 -4.47 114.94 117.28 2jcb s ASN 175 Ca 0.22 0.51 0.04 0.00 -0.71 0.00 0.00 52.86 52.92 2jcb s ASN 175 Cb -0.14 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 2jcb s ASN 175 CO 0.11 -0.29 0.18 0.68 -1.51 0.00 0.00 177.10 176.27 2jcb s VAL 176 N -2.30 4.73 -0.13 1.60 -7.23 0.29 -5.00 120.40 112.35 2jcb s VAL 176 Ca 0.41 -0.99 0.14 0.00 -1.81 0.00 0.00 61.98 59.73 2jcb s VAL 176 Cb -0.10 -3.43 0.02 0.00 0.56 0.00 0.00 36.38 33.43 2jcb s VAL 176 CO 0.36 -0.12 1.37 -0.33 -0.31 0.00 0.00 175.10 176.07 2jcb h GLU 177 N 2.26 0.00 -2.59 4.82 5.08 -1.88 -3.40 114.58 118.87 2jcb h GLU 177 Ca -0.48 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 2jcb h GLU 177 Cb 1.20 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.23 2jcb h GLU 177 CO 0.64 0.53 -0.13 0.21 -1.00 0.00 0.00 179.01 179.26 2jcb s LYS 178 N -2.93 0.64 -0.09 2.33 2.20 -1.20 -1.47 119.74 119.21 2jcb s LYS 178 Ca 0.03 0.45 0.03 0.00 -0.36 0.00 0.00 55.97 56.12 2jcb s LYS 178 Cb 0.08 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.71 2jcb s LYS 178 CO 0.76 -0.12 -0.17 0.42 -0.36 0.00 0.00 175.35 175.88 2jcb s ILE 179 N -0.22 1.53 -0.21 5.43 1.01 0.05 -0.67 121.20 128.11 2jcb s ILE 179 Ca -0.04 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 2jcb s ILE 179 Cb -0.03 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 2jcb s ILE 179 CO 0.02 0.44 0.02 -0.63 0.00 0.00 0.00 174.94 174.80 2jcb s ILE 180 N 0.63 4.09 0.29 2.92 1.01 -0.07 -0.82 121.20 129.25 2jcb s ILE 180 Ca -0.14 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2jcb s ILE 180 Cb -0.16 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.44 2jcb s ILE 180 CO 0.04 0.40 0.05 0.35 0.00 0.00 0.00 174.94 175.79 2jcb n THR 181 N 4.41 0.00 0.88 2.92 -2.24 -0.24 -1.11 114.28 118.90 2jcb n THR 181 Ca -0.17 -1.33 0.13 0.00 -2.27 0.00 0.00 64.05 60.41 2jcb n THR 181 Cb 0.52 0.16 0.55 0.00 -2.10 0.00 0.00 70.33 69.46 2jcb n THR 181 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2jcb n GLU 182 N -0.83 0.02 0.00 -0.78 0.00 -1.26 -3.11 120.64 114.69 2jcb n GLU 182 Ca -0.10 0.06 0.10 0.00 0.00 0.00 0.00 57.16 57.22 2jcb n GLU 182 Cb 0.36 -1.52 -0.10 0.00 0.00 0.00 0.00 31.44 30.18 2jcb n GLU 182 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2jcb n LYS 183 N -1.55 0.53 0.00 3.44 5.02 -1.26 -4.96 118.16 119.38 2jcb n LYS 183 Ca 0.06 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2jcb n LYS 183 Cb 0.31 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2jcb n LYS 183 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jcb n GLY 184 N 1.46 0.17 3.04 0.72 0.00 -1.18 -5.13 105.19 104.26 2jcb n GLY 184 Ca 0.05 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 2jcb n GLY 184 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jcb s THR 185 N -4.00 0.41 -0.13 2.61 -4.23 -1.26 -1.08 115.64 107.97 2jcb s THR 185 Ca 0.00 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 2jcb s THR 185 Cb 0.00 -0.50 -0.00 0.00 1.34 0.00 0.00 72.50 73.34 2jcb s THR 185 CO 0.00 -0.40 -0.19 -0.04 -0.54 0.00 0.00 174.62 173.45 2jcb s MET 186 N -1.49 3.15 0.05 3.99 -1.94 0.00 -4.96 119.30 118.10 2jcb s MET 186 Ca -0.11 -0.81 0.06 0.00 -1.71 0.00 0.00 55.69 53.12 2jcb s MET 186 Cb -0.10 -2.47 -0.03 0.00 2.01 0.00 0.00 34.83 34.25 2jcb s MET 186 CO 0.00 0.11 -0.17 0.08 -0.01 0.00 0.00 175.02 175.03 2jcb s VAL 187 N 0.56 1.36 -0.23 -6.03 1.01 -1.26 -0.77 120.40 115.04 2jcb s VAL 187 Ca -0.12 -1.16 -0.27 0.00 0.00 0.00 0.00 61.98 60.43 2jcb s VAL 187 Cb -0.16 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2jcb s VAL 187 CO 0.04 0.04 0.97 -0.75 0.00 0.00 0.00 175.10 175.39 2jcb s LYS 188 N -1.31 4.24 0.00 2.72 2.20 -0.54 -5.00 119.74 122.04 2jcb s LYS 188 Ca 0.04 1.22 0.09 0.00 -0.36 0.00 0.00 55.97 56.96 2jcb s LYS 188 Cb -0.09 -3.64 0.07 0.00 -1.51 0.00 0.00 37.83 32.67 2jcb s LYS 188 CO 0.02 -0.59 0.79 -1.71 -0.36 0.00 0.00 175.35 173.51