#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jcb n HIS 0 N 0.00 -0.17 -0.13 1.57 -0.00 -1.26 -1.22 115.22 114.02 2jcb n HIS 0 Ca 0.00 0.47 -0.05 0.00 -0.00 0.00 0.00 57.72 58.14 2jcb n HIS 0 Cb 0.00 -0.48 0.03 0.00 -0.00 0.00 0.00 29.99 29.54 2jcb n HIS 0 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2jcb h VAL 1 N 0.00 0.87 -0.63 0.61 2.07 -1.99 0.13 116.25 117.30 2jcb h VAL 1 Ca 0.06 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 2jcb h VAL 1 Cb 0.15 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 2jcb h VAL 1 CO -0.35 0.05 0.13 0.03 0.02 0.00 0.00 177.57 177.45 2jcb h ARG 2 N 0.30 1.03 -0.52 1.57 2.47 -1.88 -0.85 114.38 116.49 2jcb h ARG 2 Ca 0.19 -0.26 -0.09 0.00 -1.26 0.00 0.00 59.98 58.56 2jcb h ARG 2 Cb 0.18 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 2jcb h ARG 2 CO -0.20 0.94 -0.02 1.49 0.56 0.00 0.00 179.97 182.74 2jcb h GLU 3 N 0.94 0.94 -0.36 0.04 4.57 -0.52 -0.76 114.58 119.44 2jcb h GLU 3 Ca 0.19 -0.31 -0.14 0.00 -1.18 0.00 0.00 59.36 57.92 2jcb h GLU 3 Cb 0.40 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2jcb h GLU 3 CO 0.01 0.97 -0.35 1.49 -1.18 0.00 0.00 179.01 179.94 2jcb h GLU 4 N 0.81 0.81 -0.62 1.92 4.81 -0.98 -2.17 114.58 119.16 2jcb h GLU 4 Ca 0.15 -0.40 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 2jcb h GLU 4 Cb 0.56 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2jcb h GLU 4 CO 0.03 1.03 0.29 0.87 -0.73 0.00 0.00 179.01 180.50 2jcb h LYS 5 N 0.68 0.90 -0.20 1.92 1.57 -0.99 -1.62 116.57 118.82 2jcb h LYS 5 Ca 0.07 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2jcb h LYS 5 Cb 0.90 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2jcb h LYS 5 CO 0.08 0.73 0.12 1.25 -0.57 0.00 0.00 179.45 181.06 2jcb h LEU 6 N 0.85 0.24 -0.44 2.94 6.46 -1.11 0.40 115.31 124.64 2jcb h LEU 6 Ca 0.21 -0.05 0.09 0.00 -0.12 0.00 0.00 57.88 58.01 2jcb h LEU 6 Cb 0.14 -0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 39.92 2jcb h LEU 6 CO -0.02 0.22 -0.07 -0.09 -0.62 0.00 0.00 178.44 177.86 2jcb h ARG 7 N 0.24 0.03 0.19 1.25 2.43 -1.08 -0.02 114.38 117.42 2jcb h ARG 7 Ca 0.07 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2jcb h ARG 7 Cb 0.03 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2jcb h ARG 7 CO -0.01 0.02 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.31 2jcb h LEU 8 N 0.04 -0.22 -0.57 3.80 3.38 -1.06 -2.03 115.31 118.65 2jcb h LEU 8 Ca 0.22 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2jcb h LEU 8 Cb 0.33 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 2jcb h LEU 8 CO -0.42 -0.04 -0.50 -0.09 0.09 0.00 0.00 178.44 177.47 2jcb h ARG 9 N -0.39 -0.25 -0.32 1.13 2.43 -0.52 -1.05 114.38 115.40 2jcb h ARG 9 Ca -0.03 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2jcb h ARG 9 Cb 0.30 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 2jcb h ARG 9 CO 0.04 -0.17 0.08 -0.22 -1.51 0.00 0.00 179.97 178.19 2jcb h LYS 10 N -0.26 0.19 -0.85 0.20 3.11 -0.94 -0.67 116.57 117.34 2jcb h LYS 10 Ca 0.14 -0.01 0.06 0.00 -2.81 0.00 0.00 60.65 58.03 2jcb h LYS 10 Cb 0.56 -0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.69 2jcb h LYS 10 CO -0.69 0.13 0.53 0.37 -2.81 0.00 0.00 179.45 176.98 2jcb h GLN 11 N 0.20 0.94 0.06 1.90 4.15 -0.86 -0.73 115.11 120.77 2jcb h GLN 11 Ca 0.15 -0.06 -0.26 0.00 0.77 0.00 0.00 58.65 59.25 2jcb h GLN 11 Cb 0.16 -0.21 0.02 0.00 0.21 0.00 0.00 27.48 27.66 2jcb h GLN 11 CO -0.19 0.62 -1.05 0.82 -1.93 0.00 0.00 178.83 177.10 2jcb h ILE 12 N 0.97 1.31 -0.47 2.39 1.08 -0.92 -2.59 117.51 119.28 2jcb h ILE 12 Ca 0.37 -2.32 -0.01 0.00 -0.39 0.00 0.00 64.86 62.51 2jcb h ILE 12 Cb 0.16 2.59 -0.02 0.00 -3.07 0.00 0.00 36.82 36.48 2jcb h ILE 12 CO -0.17 0.70 0.23 0.40 -0.69 0.00 0.00 178.15 178.63 2jcb h ILE 13 N 0.23 1.18 -0.43 -0.67 2.04 -0.95 0.15 117.51 119.06 2jcb h ILE 13 Ca -0.15 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 2jcb h ILE 13 Cb 1.73 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 2jcb h ILE 13 CO 0.20 0.19 0.12 -0.08 0.00 0.00 0.00 178.15 178.59 2jcb h GLU 14 N 0.61 0.63 -0.49 2.37 4.81 -1.22 0.68 114.58 121.97 2jcb h GLU 14 Ca 0.16 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 2jcb h GLU 14 Cb 0.10 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2jcb h GLU 14 CO -0.02 0.57 -0.18 1.25 -0.73 0.00 0.00 179.01 179.90 2jcb h HIS 15 N 0.62 1.12 -0.83 0.92 2.76 -1.00 -2.19 115.15 116.55 2jcb h HIS 15 Ca 0.14 -0.26 -0.04 0.00 -2.20 0.00 0.00 60.37 58.02 2jcb h HIS 15 Cb 0.21 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 2jcb h HIS 15 CO 0.01 1.08 0.37 1.98 -1.30 0.00 0.00 177.93 180.07 2jcb h MET 16 N 0.84 1.20 0.00 5.26 1.85 -0.10 -2.76 114.93 121.22 2jcb h MET 16 Ca 0.12 -0.19 -0.08 0.00 -0.61 0.00 0.00 59.70 58.94 2jcb h MET 16 Cb 0.75 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.56 2jcb h MET 16 CO 0.06 0.94 -0.37 -0.91 -0.40 0.00 0.00 176.91 176.23 2jcb h ASN 17 N 1.19 0.00 0.24 1.39 2.35 -0.79 -2.81 115.58 117.14 2jcb h ASN 17 Ca 0.28 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.92 2jcb h ASN 17 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2jcb h ASN 17 CO -0.03 0.37 -0.41 0.77 -1.65 0.00 0.00 177.43 176.48 2jcb h SER 18 N 0.00 0.24 -1.07 5.81 4.64 -1.12 -3.46 113.55 118.59 2jcb h SER 18 Ca -0.00 -0.10 -0.85 0.00 -0.47 0.00 0.00 61.79 60.36 2jcb h SER 18 Cb 0.82 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.86 2jcb h SER 18 CO 0.05 0.63 0.64 -0.11 -0.87 0.00 0.00 176.83 177.18 2jcb n LEU 19 N -4.03 1.22 -4.69 5.97 7.94 -1.06 -4.92 117.00 117.44 2jcb n LEU 19 Ca -0.01 1.17 -0.31 0.00 -1.11 0.00 0.00 56.01 55.74 2jcb n LEU 19 Cb 0.48 -0.92 0.15 0.00 0.53 0.00 0.00 43.42 43.66 2jcb n LEU 19 CO 0.42 -0.91 0.70 -0.94 -1.11 0.00 0.00 177.39 175.54 2jcb s SER 20 N 2.71 3.17 0.19 1.96 1.04 -1.26 -4.83 113.70 116.68 2jcb s SER 20 Ca 1.02 2.19 0.03 0.00 0.48 0.00 0.00 55.95 59.68 2jcb s SER 20 Cb -1.42 -2.57 0.08 0.00 0.10 0.00 0.00 66.02 62.21 2jcb s SER 20 CO 0.77 -2.94 1.44 0.50 0.98 0.00 0.00 173.24 173.99 2jcb h LYS 21 N -1.64 0.19 -0.58 4.02 1.63 -1.99 -1.33 116.57 116.86 2jcb h LYS 21 Ca -0.44 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.17 2jcb h LYS 21 Cb 1.27 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.92 2jcb h LYS 21 CO 0.43 0.89 0.31 1.49 -3.45 0.00 0.00 179.45 179.12 2jcb h GLU 22 N 0.12 0.82 -0.11 1.90 4.22 -1.99 -2.26 114.58 117.28 2jcb h GLU 22 Ca -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 59.36 59.30 2jcb h GLU 22 Cb 1.38 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2jcb h GLU 22 CO 0.12 0.63 0.03 0.00 -2.18 0.00 0.00 179.01 177.61 2jcb h ARG 23 N 0.79 0.17 -0.35 1.92 2.47 -1.88 -0.46 114.38 117.04 2jcb h ARG 23 Ca 0.20 -0.04 0.08 0.00 -1.26 0.00 0.00 59.98 58.96 2jcb h ARG 23 Cb 0.06 -0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.27 2jcb h ARG 23 CO -0.03 0.33 -0.25 -0.92 0.56 0.00 0.00 179.97 179.66 2jcb h TYR 24 N -0.02 -0.68 -0.03 3.04 3.20 -1.21 0.13 116.97 121.40 2jcb h TYR 24 Ca 0.04 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2jcb h TYR 24 Cb 0.23 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 2jcb h TYR 24 CO 0.00 -0.33 0.01 1.15 -1.64 0.00 0.00 178.16 177.35 2jcb h THR 25 N -0.21 1.19 0.38 1.81 2.02 -1.36 -0.84 112.91 115.89 2jcb h THR 25 Ca 0.17 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 2jcb h THR 25 Cb 0.48 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2jcb h THR 25 CO -0.47 0.15 -0.26 0.74 0.37 0.00 0.00 175.52 176.05 2jcb h THR 26 N -0.18 0.46 -0.76 3.16 2.02 -0.81 -1.74 112.91 115.06 2jcb h THR 26 Ca 0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 2jcb h THR 26 Cb 0.24 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2jcb h THR 26 CO 0.00 0.00 0.28 -0.07 0.37 0.00 0.00 175.52 176.10 2jcb h LEU 27 N -0.62 1.06 -0.44 2.58 3.38 -0.75 -1.81 115.31 118.71 2jcb h LEU 27 Ca -0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2jcb h LEU 27 Cb 0.53 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2jcb h LEU 27 CO 0.02 0.95 0.15 0.28 0.09 0.00 0.00 178.44 179.93 2jcb h SER 28 N 1.11 0.62 -0.68 -0.43 0.02 -1.06 -0.99 113.55 112.14 2jcb h SER 28 Ca 0.25 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2jcb h SER 28 Cb 0.24 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 2jcb h SER 28 CO -0.02 0.65 0.45 -0.33 -1.14 0.00 0.00 176.83 176.44 2jcb h GLU 29 N 0.57 0.88 -0.45 3.45 5.08 -1.05 -1.44 114.58 121.61 2jcb h GLU 29 Ca 0.14 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2jcb h GLU 29 Cb 0.24 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2jcb h GLU 29 CO -0.01 0.58 0.10 1.96 -1.00 0.00 0.00 179.01 180.65 2jcb h GLN 30 N 0.91 0.73 -0.37 2.33 4.20 -1.13 -0.72 115.11 121.04 2jcb h GLN 30 Ca 0.26 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2jcb h GLN 30 Cb -0.08 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 2jcb h GLN 30 CO -0.07 0.73 0.20 0.82 -0.67 0.00 0.00 178.83 179.84 2jcb h ILE 31 N 0.60 1.15 0.00 2.54 2.04 -1.02 -2.27 117.51 120.55 2jcb h ILE 31 Ca 0.14 -0.39 -0.18 0.00 1.00 0.00 0.00 64.86 65.43 2jcb h ILE 31 Cb 0.33 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2jcb h ILE 31 CO 0.00 0.15 -0.84 -0.37 0.00 0.00 0.00 178.15 177.09 2jcb h VAL 32 N 0.47 1.57 -0.75 1.67 -1.51 -1.18 -0.90 116.25 115.62 2jcb h VAL 32 Ca 0.13 -2.79 0.13 0.00 -1.23 0.00 0.00 66.70 62.94 2jcb h VAL 32 Cb 0.06 2.52 -0.09 0.00 -2.13 0.00 0.00 31.29 31.65 2jcb h VAL 32 CO -0.02 0.80 0.31 0.15 -1.23 0.00 0.00 177.57 177.58 2jcb h PHE 33 N 0.02 0.54 -0.37 5.19 3.57 -1.04 -1.34 116.94 123.50 2jcb h PHE 33 Ca -0.02 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2jcb h PHE 33 Cb 1.48 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 2jcb h PHE 33 CO 0.01 0.09 -0.07 1.03 -2.23 0.00 0.00 178.31 177.14 2jcb h SER 34 N 0.47 0.70 -0.56 0.41 0.87 -0.92 -3.14 113.55 111.39 2jcb h SER 34 Ca 0.40 -0.35 0.09 0.00 -1.23 0.00 0.00 61.79 60.70 2jcb h SER 34 Cb 0.58 -0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.28 2jcb h SER 34 CO -0.38 0.89 0.16 0.25 -0.53 0.00 0.00 176.83 177.22 2jcb h LEU 35 N 0.51 0.10 -2.23 2.23 5.85 -0.36 -2.31 115.31 119.10 2jcb h LEU 35 Ca 0.10 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2jcb h LEU 35 Cb 0.57 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2jcb h LEU 35 CO 0.03 0.07 -0.05 1.88 -0.34 0.00 0.00 178.44 180.03 2jcb h TYR 36 N 0.31 0.00 0.00 1.25 0.05 -1.23 -1.92 116.97 115.44 2jcb h TYR 36 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 2jcb h TYR 36 Cb 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 2jcb h TYR 36 CO -0.20 0.05 -0.18 0.39 -1.05 0.00 0.00 178.16 177.17 2jcb n GLU 37 N -3.50 0.04 -2.55 4.88 1.02 -0.87 -4.59 120.64 115.06 2jcb n GLU 37 Ca -0.02 0.02 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 2jcb n GLU 37 Cb 0.17 -1.53 -0.05 0.00 -0.02 0.00 0.00 31.44 30.01 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 -3.02 4.68 0.20 3.49 -1.52 -0.72 -4.92 119.66 117.86 2jcb s GLN 38 Ca 0.12 1.71 -0.11 0.00 -1.95 0.00 0.00 55.36 55.14 2jcb s GLN 38 Cb 0.18 -3.19 0.26 0.00 -0.22 0.00 0.00 33.01 30.04 2jcb s GLN 38 CO 0.60 0.28 1.70 -0.22 -0.25 0.00 0.00 175.29 177.40 2jcb h LYS 39 N 3.86 0.22 -0.49 2.91 3.64 -1.91 -1.53 116.57 123.27 2jcb h LYS 39 Ca -0.46 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 2jcb h LYS 39 Cb 1.21 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 2jcb h LYS 39 CO 0.67 0.15 0.32 0.93 -2.27 0.00 0.00 179.45 179.25 2jcb h GLU 40 N 0.23 0.64 0.26 1.90 3.07 -1.93 -2.01 114.58 116.73 2jcb h GLU 40 Ca 0.30 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.11 2jcb h GLU 40 Cb 0.44 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2jcb h GLU 40 CO -0.40 0.42 -0.13 2.35 -1.40 0.00 0.00 179.01 179.86 2jcb h TRP 41 N 0.66 -0.33 -0.86 4.33 2.91 -1.57 -2.69 115.95 118.41 2jcb h TRP 41 Ca 0.18 -0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.32 2jcb h TRP 41 Cb -0.07 0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 28.62 2jcb h TRP 41 CO -0.00 0.03 0.55 0.00 -1.03 0.00 0.00 178.44 177.99 2jcb h ALA 42 N -0.21 1.81 0.00 2.65 0.00 -1.01 -2.70 119.26 119.80 2jcb h ALA 42 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jcb h ALA 42 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jcb h ALA 42 CO 0.06 -0.02 -1.15 0.39 0.00 0.00 0.00 179.25 178.53 2jcb n GLU 43 N -4.54 0.48 -2.28 0.00 1.02 -0.79 -4.90 120.64 109.64 2jcb n GLU 43 Ca 0.16 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.91 2jcb n GLU 43 Cb 0.42 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 2jcb n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jcb s ALA 44 N -3.32 3.49 -0.13 0.62 0.00 -1.01 -4.92 121.76 116.50 2jcb s ALA 44 Ca 0.00 1.02 0.19 0.00 0.00 0.00 0.00 51.96 53.18 2jcb s ALA 44 Cb 0.12 -3.47 -0.27 0.00 0.00 0.00 0.00 23.12 19.50 2jcb s ALA 44 CO 0.81 -0.49 0.31 1.63 0.00 0.00 0.00 175.76 178.01 2jcb n LYS 45 N 3.10 0.67 -4.40 0.00 5.02 -1.26 -4.88 118.16 116.41 2jcb n LYS 45 Ca 0.07 -0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 56.06 2jcb n LYS 45 Cb 0.44 -1.55 -0.17 0.00 -0.02 0.00 0.00 35.03 33.73 2jcb n LYS 45 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2jcb s THR 46 N -2.92 1.12 -0.05 -0.18 2.01 -1.26 -0.88 115.64 113.48 2jcb s THR 46 Ca -0.08 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.54 2jcb s THR 46 Cb 0.09 -1.05 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 2jcb s THR 46 CO 0.86 0.36 -0.24 -0.63 -0.69 0.00 0.00 174.62 174.28 2jcb s ILE 47 N 0.94 1.95 -0.13 1.82 -1.09 -0.09 -1.70 121.20 122.90 2jcb s ILE 47 Ca -0.09 -1.02 -0.06 0.00 -2.23 0.00 0.00 60.65 57.25 2jcb s ILE 47 Cb -0.15 -1.65 -0.04 0.00 -1.58 0.00 0.00 42.46 39.05 2jcb s ILE 47 CO 0.00 0.55 0.08 -0.83 -1.23 0.00 0.00 174.94 173.51 2jcb s GLY 48 N -0.23 1.99 0.15 6.18 0.00 0.30 -0.96 107.32 114.76 2jcb s GLY 48 Ca -0.01 -0.72 -0.17 0.00 0.00 0.00 0.00 44.72 43.82 2jcb s GLY 48 CO 0.02 -0.31 0.47 -1.50 0.00 0.00 0.00 173.10 171.78 2jcb s ILE 49 N -0.59 0.04 0.29 0.90 2.07 -0.36 -0.16 121.20 123.40 2jcb s ILE 49 Ca 0.11 -0.56 0.07 0.00 -1.41 0.00 0.00 60.65 58.87 2jcb s ILE 49 Cb -0.12 -1.28 -0.03 0.00 0.13 0.00 0.00 42.46 41.17 2jcb s ILE 49 CO 0.02 -0.20 0.25 0.42 -1.91 0.00 0.00 174.94 173.51 2jcb s THR 50 N -3.82 4.09 -0.22 4.00 -4.23 -1.26 -4.10 115.64 110.09 2jcb s THR 50 Ca 0.05 -1.37 -0.18 0.00 -1.18 0.00 0.00 61.69 59.00 2jcb s THR 50 Cb 0.01 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 2jcb s THR 50 CO -0.09 -0.27 0.51 -0.76 -0.54 0.00 0.00 174.62 173.46 2jcb s LEU 51 N -3.91 4.11 0.57 4.79 1.43 -1.26 -4.79 118.68 119.61 2jcb s LEU 51 Ca 0.36 0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 53.89 2jcb s LEU 51 Cb -0.07 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 2jcb s LEU 51 CO 0.26 -0.21 1.08 -0.94 0.23 0.00 0.00 176.35 176.77 2jcb s SER 52 N 1.29 5.76 0.24 2.29 1.04 -1.26 -5.00 113.70 118.07 2jcb s SER 52 Ca 0.23 1.98 0.05 0.00 0.48 0.00 0.00 55.95 58.69 2jcb s SER 52 Cb -0.15 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.36 2jcb s SER 52 CO 0.09 -1.18 -0.05 -0.04 0.98 0.00 0.00 173.24 173.04 2jcb s MET 53 N -3.66 1.39 0.00 4.02 -1.94 -1.26 -4.92 119.30 112.92 2jcb s MET 53 Ca 0.68 -1.69 0.00 0.00 -1.71 0.00 0.00 55.69 52.97 2jcb s MET 53 Cb -0.19 -0.89 0.00 0.00 2.01 0.00 0.00 34.83 35.76 2jcb s MET 53 CO 0.31 0.01 0.00 -0.85 -0.01 0.00 0.00 175.02 174.48 2jcb n GLU 54 N -0.46 0.00 -0.40 2.03 -0.00 -1.26 -1.99 120.64 118.56 2jcb n GLU 54 Ca -0.06 0.00 0.09 0.00 -0.00 0.00 0.00 57.16 57.19 2jcb n GLU 54 Cb 0.63 0.00 0.29 0.00 -0.00 0.00 0.00 31.44 32.36 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 1.80 3.95 -4.74 -1.84 3.02 -1.26 -4.99 115.26 111.20 2jcb n ASN 55 Ca 0.00 -2.19 -0.36 0.00 -0.03 0.00 0.00 54.58 52.00 2jcb n ASN 55 Cb 0.00 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 38.77 2jcb n ASN 55 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2jcb s GLU 56 N -1.36 2.69 -0.29 3.52 -1.05 -0.84 -4.86 118.70 116.51 2jcb s GLU 56 Ca 0.43 1.85 -0.44 0.00 -0.15 0.00 0.00 54.97 56.66 2jcb s GLU 56 Cb 0.25 -1.89 -0.20 0.00 -0.44 0.00 0.00 34.13 31.85 2jcb s GLU 56 CO 0.25 -1.43 1.41 0.28 0.95 0.00 0.00 175.26 176.72 2jcb n VAL 57 N -1.94 0.02 -2.44 1.83 0.31 -1.26 -4.76 118.33 110.09 2jcb n VAL 57 Ca 0.14 -0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.04 2jcb n VAL 57 Cb 0.49 -0.38 -0.02 0.00 -0.91 0.00 0.00 33.84 33.02 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 1.89 6.86 0.00 4.52 2.47 -1.26 -4.76 114.94 124.65 2jcb s ASN 58 Ca 0.99 1.50 0.23 0.00 0.42 0.00 0.00 52.86 55.99 2jcb s ASN 58 Cb -1.37 -2.54 0.04 0.00 -1.45 0.00 0.00 41.25 35.93 2jcb s ASN 58 CO 0.71 -0.87 1.09 0.35 -3.72 0.00 0.00 177.10 174.66 2jcb n THR 59 N 5.67 0.00 -0.10 -5.21 -2.24 -1.26 -4.45 114.28 106.69 2jcb n THR 59 Ca 0.14 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 2jcb n THR 59 Cb 0.46 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.54 0.45 0.00 4.78 -1.99 -1.90 -1.84 116.97 117.01 2jcb h TYR 60 Ca 0.00 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 2jcb h TYR 60 Cb 0.55 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 2jcb h TYR 60 CO 0.00 0.33 -0.18 -1.35 -0.00 0.00 0.00 178.16 176.96 2jcb h PRO 61 N 0.44 0.00 -0.26 4.88 0.11 -2.00 -1.97 132.00 133.20 2jcb h PRO 61 Ca 0.12 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 2jcb h PRO 61 Cb 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2jcb h PRO 61 CO -0.02 0.18 0.10 0.82 -0.21 0.00 0.00 178.00 178.86 2jcb h ILE 62 N 0.00 1.18 -0.57 4.15 2.04 -1.66 0.14 117.51 122.79 2jcb h ILE 62 Ca -0.00 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 2jcb h ILE 62 Cb 0.32 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2jcb h ILE 62 CO 0.02 0.18 0.28 0.40 0.00 0.00 0.00 178.15 179.04 2jcb h ILE 63 N 0.27 1.20 -0.59 -0.67 2.04 -0.95 0.41 117.51 119.23 2jcb h ILE 63 Ca 0.09 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 2jcb h ILE 63 Cb 0.19 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2jcb h ILE 63 CO -0.01 0.23 0.16 -0.33 0.00 0.00 0.00 178.15 178.21 2jcb h GLU 64 N 0.77 0.92 -0.25 2.37 5.08 -1.21 -0.94 114.58 121.32 2jcb h GLU 64 Ca 0.20 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2jcb h GLU 64 Cb 0.11 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2jcb h GLU 64 CO -0.03 0.84 0.06 -0.22 -1.00 0.00 0.00 179.01 178.67 2jcb h LYS 65 N 0.84 0.16 -0.30 2.33 1.63 -0.65 -0.14 116.57 120.44 2jcb h LYS 65 Ca 0.19 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.01 2jcb h LYS 65 Cb 0.32 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 2jcb h LYS 65 CO -0.00 0.10 0.11 0.00 -3.45 0.00 0.00 179.45 176.21 2jcb h ALA 66 N 1.17 0.34 -0.87 5.00 0.00 -0.66 0.39 119.26 124.64 2jcb h ALA 66 Ca 0.11 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jcb h ALA 66 Cb 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2jcb h ALA 66 CO -0.13 -0.29 0.58 -1.49 0.00 0.00 0.00 179.25 177.91 2jcb h TRP 67 N 0.24 1.09 -0.32 0.00 6.55 -1.09 0.27 115.95 122.70 2jcb h TRP 67 Ca 0.13 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.97 2jcb h TRP 67 Cb 0.10 -0.37 -0.02 0.00 -0.86 0.00 0.00 29.16 28.01 2jcb h TRP 67 CO -0.13 0.68 0.08 -0.22 -1.05 0.00 0.00 178.44 177.80 2jcb h LYS 68 N 1.18 0.45 -0.30 0.49 1.63 -0.11 -2.14 116.57 117.77 2jcb h LYS 68 Ca 0.32 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 2jcb h LYS 68 Cb -0.13 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.42 2jcb h LYS 68 CO -0.07 0.42 0.00 0.39 -3.45 0.00 0.00 179.45 176.74 2jcb n GLU 69 N -4.36 1.93 -1.14 1.90 1.02 0.04 -4.94 120.64 115.09 2jcb n GLU 69 Ca 0.01 -1.43 -0.05 0.00 -0.02 0.00 0.00 57.16 55.68 2jcb n GLU 69 Cb 0.17 -1.38 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.20 0.74 3.85 0.62 0.00 -0.80 -5.04 105.19 105.75 2jcb n GLY 70 Ca 0.16 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.03 4.02 0.05 1.61 1.02 0.03 -5.00 119.74 119.44 2jcb s LYS 71 Ca 0.00 0.76 -0.29 0.00 0.02 0.00 0.00 55.97 56.46 2jcb s LYS 71 Cb 0.00 -2.35 -0.05 0.00 -0.52 0.00 0.00 37.83 34.91 2jcb s LYS 71 CO 0.00 0.06 0.92 0.50 -0.92 0.00 0.00 175.35 175.91 2jcb s ARG 72 N -3.22 4.60 -0.19 1.68 3.52 -0.06 -4.17 118.95 121.11 2jcb s ARG 72 Ca 0.56 1.34 -0.05 0.00 -0.13 0.00 0.00 55.73 57.44 2jcb s ARG 72 Cb -0.10 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 2jcb s ARG 72 CO 0.19 0.13 0.01 0.08 -0.81 0.00 0.00 175.30 174.90 2jcb s VAL 73 N 0.38 4.18 0.02 7.11 1.01 -1.26 -0.92 120.40 130.92 2jcb s VAL 73 Ca 0.47 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.29 2jcb s VAL 73 Cb -0.22 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2jcb s VAL 73 CO 0.27 0.45 -0.26 0.68 0.00 0.00 0.00 175.10 176.24 2jcb s VAL 74 N 0.69 2.13 0.07 2.92 -7.23 -0.13 -1.55 120.40 117.29 2jcb s VAL 74 Ca 0.00 -1.29 0.05 0.00 -1.81 0.00 0.00 61.98 58.93 2jcb s VAL 74 Cb -0.14 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 2jcb s VAL 74 CO 0.02 0.44 -0.14 0.68 -0.31 0.00 0.00 175.10 175.79 2jcb s VAL 75 N -0.75 1.05 0.24 1.32 -7.23 -0.19 -1.22 120.40 113.63 2jcb s VAL 75 Ca 0.11 -1.25 -0.21 0.00 -1.81 0.00 0.00 61.98 58.83 2jcb s VAL 75 Cb -0.10 -1.02 -0.09 0.00 0.56 0.00 0.00 36.38 35.74 2jcb s VAL 75 CO 0.01 -0.22 0.77 -2.16 -0.31 0.00 0.00 175.10 173.19 2jcb s PRO 76 N -1.66 4.31 -0.19 4.82 0.04 -1.26 -0.11 135.00 140.96 2jcb s PRO 76 Ca -0.02 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 2jcb s PRO 76 Cb -0.10 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.59 2jcb s PRO 76 CO 0.02 0.37 -0.12 0.21 0.04 0.00 0.00 177.00 177.52 2jcb s LYS 77 N -2.01 3.22 0.77 4.56 2.20 -0.69 -4.53 119.74 123.26 2jcb s LYS 77 Ca 0.45 -0.72 -0.03 0.00 -0.36 0.00 0.00 55.97 55.30 2jcb s LYS 77 Cb -0.17 -2.77 0.15 0.00 -1.51 0.00 0.00 37.83 33.53 2jcb s LYS 77 CO 0.21 -0.14 1.06 0.00 -0.36 0.00 0.00 175.35 176.12 2jcb s ASN 79 N -4.79 3.16 0.40 0.00 3.84 -1.00 -4.93 114.94 111.62 2jcb s ASN 79 Ca 0.68 -2.11 0.20 0.00 0.21 0.00 0.00 52.86 51.84 2jcb s ASN 79 Cb -0.05 -0.48 1.14 0.00 -0.55 0.00 0.00 41.25 41.31 2jcb s ASN 79 CO 0.46 -0.32 1.76 0.11 -2.79 0.00 0.00 177.10 176.32 2jcb h LYS 80 N 7.19 0.35 0.00 0.43 1.57 -1.99 0.56 116.57 124.69 2jcb h LYS 80 Ca 0.01 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2jcb h LYS 80 Cb 0.97 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 2jcb h LYS 80 CO 0.32 0.23 -0.68 0.93 -0.57 0.00 0.00 179.45 179.68 2jcb h GLU 81 N 0.36 0.00 0.00 3.15 3.07 -1.99 -3.38 114.58 115.79 2jcb h GLU 81 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 2jcb h GLU 81 Cb 1.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.50 2jcb h GLU 81 CO -0.29 0.68 0.00 0.25 -1.40 0.00 0.00 179.01 178.25 2jcb n THR 82 N -3.56 0.00 -3.47 1.13 -2.24 -0.54 -5.07 114.28 100.53 2jcb n THR 82 Ca -0.00 -0.43 -0.17 0.00 -2.27 0.00 0.00 64.05 61.18 2jcb n THR 82 Cb 0.71 1.05 0.01 0.00 -2.10 0.00 0.00 70.33 70.00 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 -0.55 -1.39 -4.09 -0.78 1.74 0.19 -5.02 116.66 106.76 2jcb n ARG 83 Ca 0.00 0.96 -0.12 0.00 -0.77 0.00 0.00 57.85 57.92 2jcb n ARG 83 Cb 0.01 -4.19 -0.11 0.00 -1.02 0.00 0.00 32.46 27.15 2jcb n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2jcb s THR 84 N -3.13 0.53 -0.14 0.55 2.01 -1.26 -4.98 115.64 109.23 2jcb s THR 84 Ca 0.14 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 60.82 2jcb s THR 84 Cb -0.05 -0.91 -0.00 0.00 0.01 0.00 0.00 72.50 71.55 2jcb s THR 84 CO 0.83 -0.55 -0.18 -0.04 -0.69 0.00 0.00 174.62 173.99 2jcb s MET 85 N -2.29 3.19 0.15 4.92 -1.94 -1.26 -2.37 119.30 119.71 2jcb s MET 85 Ca -0.04 -0.78 -0.05 0.00 -1.71 0.00 0.00 55.69 53.11 2jcb s MET 85 Cb -0.05 -2.53 -0.06 0.00 2.01 0.00 0.00 34.83 34.20 2jcb s MET 85 CO -0.02 0.09 0.40 0.45 -0.01 0.00 0.00 175.02 175.93 2jcb s SER 86 N 0.61 6.51 -0.09 3.03 0.15 -0.15 -4.95 113.70 118.80 2jcb s SER 86 Ca -0.10 0.63 0.04 0.00 0.70 0.00 0.00 55.95 57.22 2jcb s SER 86 Cb -0.16 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2jcb s SER 86 CO 0.03 0.04 -0.22 -0.36 1.20 0.00 0.00 173.24 173.93 2jcb s PHE 87 N -1.68 2.35 0.03 3.44 0.40 -1.26 -1.70 117.98 119.57 2jcb s PHE 87 Ca 0.42 -0.92 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 2jcb s PHE 87 Cb -0.12 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 2jcb s PHE 87 CO 0.24 -0.37 -0.14 1.03 0.70 0.00 0.00 175.22 176.68 2jcb s ARG 88 N 0.33 0.98 0.12 0.44 0.52 0.84 -1.14 118.95 121.05 2jcb s ARG 88 Ca -0.16 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.02 2jcb s ARG 88 Cb -0.17 -0.99 -0.07 0.00 0.52 0.00 0.00 34.95 34.24 2jcb s ARG 88 CO 0.08 0.25 1.24 -1.14 0.02 0.00 0.00 175.30 175.74 2jcb s GLN 89 N -0.99 4.43 -0.01 3.54 0.74 0.53 -1.02 119.66 126.87 2jcb s GLN 89 Ca 0.02 1.88 0.08 0.00 0.05 0.00 0.00 55.36 57.39 2jcb s GLN 89 Cb -0.07 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.73 2jcb s GLN 89 CO 0.01 -0.23 -0.24 0.96 -0.55 0.00 0.00 175.29 175.24 2jcb s ILE 90 N 0.63 1.89 -0.21 -2.34 -4.36 -0.60 -4.05 121.20 112.17 2jcb s ILE 90 Ca 0.58 -1.06 0.08 0.00 -0.26 0.00 0.00 60.65 59.98 2jcb s ILE 90 Cb -0.32 -1.57 -0.10 0.00 1.25 0.00 0.00 42.46 41.71 2jcb s ILE 90 CO 0.32 0.49 0.26 -1.20 0.24 0.00 0.00 174.94 175.06 2jcb n SER 91 N 2.38 1.58 -3.50 4.36 7.64 -1.26 -4.30 113.62 120.53 2jcb n SER 91 Ca -0.16 -0.39 -0.15 0.00 1.01 0.00 0.00 58.87 59.18 2jcb n SER 91 Cb 0.52 1.16 -0.04 0.00 -1.01 0.00 0.00 64.21 64.83 2jcb n SER 91 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2jcb s ASN 92 N -2.24 -0.59 0.13 6.43 3.84 -1.26 -5.06 114.94 116.20 2jcb s ASN 92 Ca 0.00 0.37 0.23 0.00 0.21 0.00 0.00 52.86 53.67 2jcb s ASN 92 Cb 0.05 0.55 0.90 0.00 -0.55 0.00 0.00 41.25 42.21 2jcb s ASN 92 CO 0.32 -0.75 1.71 0.49 -2.79 0.00 0.00 177.10 176.08 2jcb n PHE 93 N 0.37 0.46 1.21 0.43 3.72 -1.26 -2.49 117.46 119.90 2jcb n PHE 93 Ca -0.18 0.16 0.10 0.00 -0.05 0.00 0.00 57.45 57.48 2jcb n PHE 93 Cb 0.60 -0.76 0.59 0.00 -0.94 0.00 0.00 39.48 38.98 2jcb n PHE 93 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2jcb n ASP 94 N -1.90 0.00 -0.39 4.37 5.75 -1.26 -2.21 116.55 120.91 2jcb n ASP 94 Ca 0.04 -0.45 0.14 0.00 -0.01 0.00 0.00 54.79 54.52 2jcb n ASP 94 Cb 0.29 -0.09 0.59 0.00 -1.03 0.00 0.00 41.12 40.87 2jcb n ASP 94 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jcb n GLN 95 N -1.09 1.53 -3.77 0.11 6.02 -1.04 -4.88 117.38 114.26 2jcb n GLN 95 Ca 0.14 -0.79 -0.34 0.00 -0.01 0.00 0.00 57.00 56.00 2jcb n GLN 95 Cb 0.10 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 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 -2.02 4.37 0.15 1.08 1.43 -0.94 -0.22 118.68 122.53 2jcb s LEU 96 Ca 0.39 0.54 0.11 0.00 -1.03 0.00 0.00 54.13 54.14 2jcb s LEU 96 Cb 0.21 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 2jcb s LEU 96 CO 0.35 0.25 -0.25 -1.83 0.23 0.00 0.00 176.35 175.09 2jcb s GLU 97 N -1.79 1.48 -0.57 1.70 -1.05 0.36 -4.83 118.70 114.00 2jcb s GLU 97 Ca 0.28 -1.38 -0.20 0.00 -0.15 0.00 0.00 54.97 53.52 2jcb s GLU 97 Cb -0.13 -1.91 0.07 0.00 -0.44 0.00 0.00 34.13 31.72 2jcb s GLU 97 CO 0.16 0.44 0.75 0.99 0.95 0.00 0.00 175.26 178.55 2jcb s THR 98 N -1.24 4.70 0.05 1.83 2.01 -1.26 -0.81 115.64 120.91 2jcb s THR 98 Ca 0.16 -0.56 0.10 0.00 0.31 0.00 0.00 61.69 61.70 2jcb s THR 98 Cb -0.09 -4.46 -0.21 0.00 0.01 0.00 0.00 72.50 67.74 2jcb s THR 98 CO 0.08 -1.07 1.03 -0.37 -0.69 0.00 0.00 174.62 173.59 2jcb h VAL 99 N 5.92 1.33 -1.57 3.82 -1.51 -1.53 -3.47 116.25 119.24 2jcb h VAL 99 Ca -0.28 -3.09 0.10 0.00 -1.23 0.00 0.00 66.70 62.20 2jcb h VAL 99 Cb 1.09 2.65 -0.24 0.00 -2.13 0.00 0.00 31.29 32.65 2jcb h VAL 99 CO 1.07 0.76 0.22 -0.47 -1.23 0.00 0.00 177.57 177.92 2jcb s TYR 100 N -2.67 -0.78 0.00 5.19 5.04 -1.25 -5.06 117.35 117.82 2jcb s TYR 100 Ca -0.01 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 2jcb s TYR 100 Cb 0.09 0.46 0.00 0.00 0.35 0.00 0.00 41.96 42.87 2jcb s TYR 100 CO 0.82 -0.38 0.00 -1.33 -1.34 0.00 0.00 175.55 173.32 2jcb n MET 101 N 4.27 0.00 -0.19 4.97 2.81 -1.26 -1.15 117.12 126.57 2jcb n MET 101 Ca -0.16 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.78 2jcb n MET 101 Cb 0.56 0.00 0.15 0.00 -0.71 0.00 0.00 33.22 33.22 2jcb n MET 101 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2jcb n ASN 102 N 8.37 2.96 -4.67 7.83 3.02 -1.26 -4.99 115.26 126.52 2jcb n ASN 102 Ca 0.00 -2.10 -0.42 0.00 -0.03 0.00 0.00 54.58 52.02 2jcb n ASN 102 Cb 0.00 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 2jcb n ASN 102 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jcb s LEU 103 N -1.19 4.16 -0.15 3.41 2.96 -0.30 -5.01 118.68 122.57 2jcb s LEU 103 Ca 0.24 1.31 -0.03 0.00 -0.22 0.00 0.00 54.13 55.43 2jcb s LEU 103 Cb 0.14 -3.41 -0.03 0.00 0.50 0.00 0.00 46.19 43.39 2jcb s LEU 103 CO 0.14 -0.51 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.48 2jcb s ARG 104 N 2.54 3.60 0.06 1.98 0.52 -1.26 -1.24 118.95 125.15 2jcb s ARG 104 Ca 0.42 -0.53 0.05 0.00 -0.52 0.00 0.00 55.73 55.14 2jcb s ARG 104 Cb -0.16 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 2jcb s ARG 104 CO 0.11 0.26 -0.13 -1.21 0.02 0.00 0.00 175.30 174.35 2jcb s GLU 105 N 0.29 0.79 0.32 3.54 2.02 0.01 -4.91 118.70 120.77 2jcb s GLU 105 Ca -0.04 -0.89 -0.29 0.00 0.02 0.00 0.00 54.97 53.77 2jcb s GLU 105 Cb -0.14 -0.77 -0.12 0.00 0.10 0.00 0.00 34.13 33.20 2jcb s GLU 105 CO 0.03 0.17 1.48 -0.35 0.02 0.00 0.00 175.26 176.61 2jcb n PRO 106 N 1.42 2.51 -2.42 0.39 -0.04 -1.26 -0.49 135.00 135.11 2jcb n PRO 106 Ca -0.21 0.88 -0.43 0.00 -0.04 0.00 0.00 63.50 63.71 2jcb n PRO 106 Cb 0.54 -2.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.38 2jcb n PRO 106 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jcb s ILE 107 N -0.59 4.15 0.31 0.52 1.01 0.70 -4.78 121.20 122.51 2jcb s ILE 107 Ca 0.59 1.30 0.07 0.00 0.00 0.00 0.00 60.65 62.62 2jcb s ILE 107 Cb -0.52 -4.14 0.30 0.00 0.01 0.00 0.00 42.46 38.11 2jcb s ILE 107 CO 0.56 -0.45 1.75 -0.65 0.00 0.00 0.00 174.94 176.16 2jcb h PRO 108 N 9.23 0.65 0.00 2.79 0.11 -1.89 -0.25 132.00 142.64 2jcb h PRO 108 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2jcb h PRO 108 Cb 1.10 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2jcb h PRO 108 CO 1.03 0.43 0.00 0.00 -0.21 0.00 0.00 178.00 179.25 2jcb h ALA 109 N 1.69 1.00 -0.01 -0.75 0.00 -1.98 -3.08 119.26 116.13 2jcb h ALA 109 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 2jcb h ALA 109 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jcb h ALA 109 CO -0.43 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.09 2jcb n LEU 110 N -2.44 1.91 -3.86 0.00 4.77 -0.16 -5.03 117.00 112.20 2jcb n LEU 110 Ca 0.03 -0.99 -0.15 0.00 -0.03 0.00 0.00 56.01 54.86 2jcb n LEU 110 Cb 0.30 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.24 2jcb n LEU 110 CO 0.24 0.36 -0.37 0.42 -1.33 0.00 0.00 177.39 176.71 2jcb s THR 111 N -0.94 0.17 0.01 -5.08 -4.23 -0.89 -4.97 115.64 99.70 2jcb s THR 111 Ca 0.13 -0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.37 2jcb s THR 111 Cb 0.09 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.68 2jcb s THR 111 CO 0.14 0.09 0.83 -1.61 -0.54 0.00 0.00 174.62 173.54 2jcb s GLU 112 N 0.48 4.52 0.17 3.99 2.02 -1.26 -4.79 118.70 123.83 2jcb s GLU 112 Ca -0.05 1.16 -0.30 0.00 0.02 0.00 0.00 54.97 55.80 2jcb s GLU 112 Cb -0.07 -3.42 -0.08 0.00 0.10 0.00 0.00 34.13 30.66 2jcb s GLU 112 CO -0.01 0.12 1.24 -2.00 0.02 0.00 0.00 175.26 174.63 2jcb s GLU 113 N 0.49 4.44 -0.15 1.61 2.12 -1.26 -0.35 118.70 125.61 2jcb s GLU 113 Ca 0.43 1.93 0.01 0.00 0.36 0.00 0.00 54.97 57.70 2jcb s GLU 113 Cb -0.20 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2jcb s GLU 113 CO 0.24 -0.18 -0.18 0.08 -0.54 0.00 0.00 175.26 174.68 2jcb s VAL 114 N 0.19 2.46 0.55 3.70 1.01 -0.30 -4.94 120.40 123.07 2jcb s VAL 114 Ca 0.55 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 2jcb s VAL 114 Cb -0.34 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 2jcb s VAL 114 CO 0.36 0.53 1.18 0.20 0.00 0.00 0.00 175.10 177.37 2jcb s ASN 115 N 0.78 5.56 0.28 3.32 -0.87 -1.26 -4.46 114.94 118.28 2jcb s ASN 115 Ca -0.07 2.33 0.01 0.00 -1.57 0.00 0.00 52.86 53.56 2jcb s ASN 115 Cb -0.16 -2.60 0.64 0.00 -0.02 0.00 0.00 41.25 39.12 2jcb s ASN 115 CO -0.00 -1.34 1.69 0.00 -2.57 0.00 0.00 177.10 174.88 2jcb h ALA 116 N 1.25 1.27 0.00 0.60 0.00 -1.96 -0.45 119.26 119.97 2jcb h ALA 116 Ca -0.50 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2jcb h ALA 116 Cb 1.28 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2jcb h ALA 116 CO 0.57 -0.35 0.00 -0.40 0.00 0.00 0.00 179.25 179.06 2jcb n ASP 117 N -5.10 0.00 -0.58 0.00 3.85 -1.26 -1.67 116.55 111.79 2jcb n ASP 117 Ca 0.20 0.26 0.09 0.00 -0.71 0.00 0.00 54.79 54.63 2jcb n ASP 117 Cb 0.60 -0.36 0.04 0.00 -1.35 0.00 0.00 41.12 40.05 2jcb n ASP 117 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2jcb n GLU 118 N -1.36 1.57 -3.62 0.11 1.02 -0.18 -4.91 120.64 113.28 2jcb n GLU 118 Ca 0.04 -1.25 -0.37 0.00 -0.02 0.00 0.00 57.16 55.55 2jcb n GLU 118 Cb 0.09 -1.33 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 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 -1.75 5.33 0.08 -3.67 1.01 -0.67 -4.73 121.20 116.80 2jcb s ILE 119 Ca 0.18 0.20 -0.00 0.00 0.00 0.00 0.00 60.65 61.03 2jcb s ILE 119 Cb 0.15 -3.52 -0.26 0.00 0.01 0.00 0.00 42.46 38.83 2jcb s ILE 119 CO 0.32 0.30 1.13 0.44 0.00 0.00 0.00 174.94 177.14 2jcb h ASP 120 N 7.86 0.28 -3.46 3.58 3.32 -1.63 -3.42 116.42 122.95 2jcb h ASP 120 Ca -0.37 -0.31 -0.22 0.00 0.02 0.00 0.00 57.03 56.15 2jcb h ASP 120 Cb 1.18 -0.09 -0.30 0.00 0.22 0.00 0.00 39.33 40.33 2jcb h ASP 120 CO 0.62 1.25 -0.55 -0.22 -1.72 0.00 0.00 179.24 178.62 2jcb s LEU 121 N -6.96 0.71 -0.22 1.55 2.96 -1.14 -2.44 118.68 113.14 2jcb s LEU 121 Ca -0.03 0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 54.23 2jcb s LEU 121 Cb 0.08 0.52 -0.00 0.00 0.50 0.00 0.00 46.19 47.29 2jcb s LEU 121 CO 0.86 -0.14 -0.05 -1.10 -1.32 0.00 0.00 176.35 174.60 2jcb s GLN 122 N 1.04 3.31 -0.49 1.98 -1.52 -0.20 -0.54 119.66 123.24 2jcb s GLN 122 Ca -0.08 -0.67 -0.21 0.00 -1.95 0.00 0.00 55.36 52.45 2jcb s GLN 122 Cb -0.10 -3.00 0.04 0.00 -0.22 0.00 0.00 33.01 29.73 2jcb s GLN 122 CO -0.06 -0.22 0.71 0.42 -0.25 0.00 0.00 175.29 175.89 2jcb s ILE 123 N 1.46 4.73 -0.24 1.08 1.01 0.78 -1.84 121.20 128.19 2jcb s ILE 123 Ca 0.05 -0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.50 2jcb s ILE 123 Cb -0.14 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 2jcb s ILE 123 CO -0.04 -0.80 0.37 -0.69 0.00 0.00 0.00 174.94 173.78 2jcb s VAL 124 N 3.04 5.20 0.91 2.92 1.01 0.12 -4.27 120.40 129.33 2jcb s VAL 124 Ca 0.22 0.61 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 2jcb s VAL 124 Cb -0.16 -3.70 0.14 0.00 0.00 0.00 0.00 36.38 32.67 2jcb s VAL 124 CO 0.17 0.22 1.12 -2.16 0.00 0.00 0.00 175.10 174.44 2jcb s PRO 125 N 1.64 1.14 0.00 2.72 0.04 -1.26 -4.43 135.00 134.85 2jcb s PRO 125 Ca 0.16 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2jcb s PRO 125 Cb -0.15 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2jcb s PRO 125 CO 0.08 -2.22 0.00 0.41 0.04 0.00 0.00 177.00 175.31 2jcb n GLY 126 N -1.90 0.33 0.45 0.56 0.00 -1.26 -4.85 105.19 98.52 2jcb n GLY 126 Ca 0.06 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.47 0.95 -4.26 1.61 0.31 0.18 -4.95 118.33 111.70 2jcb n VAL 127 Ca 0.00 -0.25 -0.20 0.00 -0.01 0.00 0.00 64.34 63.88 2jcb n VAL 127 Cb 0.00 -1.71 -0.12 0.00 -0.91 0.00 0.00 33.84 31.10 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 -2.32 1.36 0.11 3.52 0.00 -0.97 -4.75 121.76 118.70 2jcb s ALA 128 Ca -0.24 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 2jcb s ALA 128 Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2jcb s ALA 128 CO 0.31 0.24 0.09 0.71 0.00 0.00 0.00 175.76 177.11 2jcb s TYR 129 N -1.14 0.59 0.32 0.00 2.02 -0.75 -0.83 117.35 117.56 2jcb s TYR 129 Ca 0.01 -1.02 0.09 0.00 -0.37 0.00 0.00 57.07 55.79 2jcb s TYR 129 Cb -0.10 -0.32 -0.06 0.00 -0.40 0.00 0.00 41.96 41.08 2jcb s TYR 129 CO 0.03 -0.52 -0.11 0.95 -1.57 0.00 0.00 175.55 174.32 2jcb s THR 130 N -3.97 2.19 -0.10 -0.71 -4.23 -0.77 -0.36 115.64 107.68 2jcb s THR 130 Ca 0.16 -2.23 0.28 0.00 -1.18 0.00 0.00 61.69 58.71 2jcb s THR 130 Cb 0.06 -2.54 0.29 0.00 1.34 0.00 0.00 72.50 71.65 2jcb s THR 130 CO -0.03 -0.26 1.84 1.05 -0.54 0.00 0.00 174.62 176.67 2jcb h GLU 131 N 2.11 0.00 -0.00 3.99 4.11 -1.91 0.01 114.58 122.90 2jcb h GLU 131 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2jcb h GLU 131 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2jcb h GLU 131 CO 0.68 0.00 0.00 0.54 0.07 0.00 0.00 179.01 180.30 2jcb n ARG 132 N -2.49 1.03 -0.81 1.06 1.74 -1.26 -4.44 116.66 111.48 2jcb n ARG 132 Ca -0.00 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2jcb n ARG 132 Cb 0.13 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 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 0.90 0.66 3.78 -0.13 0.00 -0.01 -4.82 105.19 105.57 2jcb n GLY 133 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.19 3.62 -0.00 1.61 2.02 -1.25 -1.17 118.70 123.34 2jcb s GLU 134 Ca 0.00 1.59 -0.01 0.00 0.02 0.00 0.00 54.97 56.57 2jcb s GLU 134 Cb 0.00 -2.17 -0.00 0.00 0.10 0.00 0.00 34.13 32.06 2jcb s GLU 134 CO 0.00 -0.63 0.01 -0.98 0.02 0.00 0.00 175.26 173.69 2jcb s ARG 135 N -3.06 0.11 -0.21 1.61 1.70 -1.26 -1.86 118.95 115.98 2jcb s ARG 135 Ca 0.68 -0.13 -0.04 0.00 -0.47 0.00 0.00 55.73 55.77 2jcb s ARG 135 Cb -0.23 0.04 -0.02 0.00 -0.57 0.00 0.00 34.95 34.17 2jcb s ARG 135 CO 0.27 -0.02 -0.02 0.42 -1.08 0.00 0.00 175.30 174.88 2jcb s ILE 136 N -0.37 3.70 0.00 4.99 1.01 -0.01 -4.95 121.20 125.58 2jcb s ILE 136 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2jcb s ILE 136 Cb -0.03 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.77 2jcb s ILE 136 CO -0.00 0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.97 2jcb n GLY 137 N 4.48 1.61 0.58 6.18 0.00 -1.26 0.49 105.19 117.26 2jcb n GLY 137 Ca -0.17 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.31 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 -4.46 117.16 117.06 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 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 1.37 0.90 0.17 2.72 0.00 -1.26 -4.96 105.19 104.13 2jcb n GLY 139 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.61 -0.02 0.00 -2.04 -3.48 103.07 95.92 2jcb h GLY 140 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 2jcb h GLY 140 CO 0.00 0.00 -0.39 0.61 0.00 0.00 0.00 176.54 176.76 2jcb n GLY 141 N 1.19 0.80 0.19 4.60 0.00 -1.26 -4.95 105.19 105.77 2jcb n GLY 141 Ca 0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 0.55 0.01 1.61 0.05 -1.93 -2.73 116.97 114.53 2jcb h TYR 142 Ca -0.39 0.01 -0.19 0.00 0.05 0.00 0.00 58.73 58.21 2jcb h TYR 142 Cb 1.23 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.77 2jcb h TYR 142 CO 0.49 0.34 -0.88 1.88 -1.05 0.00 0.00 178.16 178.94 2jcb h TYR 143 N 0.59 0.20 -0.84 4.88 -1.99 -1.98 -1.38 116.97 116.45 2jcb h TYR 143 Ca 0.17 -0.11 0.08 0.00 2.00 0.00 0.00 58.73 60.87 2jcb h TYR 143 Cb -0.04 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 38.61 2jcb h TYR 143 CO -0.05 0.94 0.55 -0.44 -0.00 0.00 0.00 178.16 179.16 2jcb h ASP 144 N 0.07 0.77 0.09 3.88 3.32 -1.86 0.51 116.42 123.20 2jcb h ASP 144 Ca -0.04 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.84 2jcb h ASP 144 Cb 1.52 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 40.94 2jcb h ASP 144 CO 0.13 0.48 -0.80 0.03 -1.72 0.00 0.00 179.24 177.36 2jcb h ARG 145 N 0.87 0.39 -0.67 3.56 3.08 -1.20 -3.31 114.38 117.08 2jcb h ARG 145 Ca 0.38 -0.53 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 2jcb h ARG 145 Cb 0.32 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 2jcb h ARG 145 CO -0.14 1.21 0.24 -0.92 -1.07 0.00 0.00 179.97 179.29 2jcb h TYR 146 N -0.18 1.02 0.00 3.04 3.20 -0.96 -3.00 116.97 120.09 2jcb h TYR 146 Ca -0.13 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.67 2jcb h TYR 146 Cb 1.56 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.53 2jcb h TYR 146 CO 0.17 0.80 0.00 1.28 -1.64 0.00 0.00 178.16 178.76 2jcb n LEU 147 N -4.29 0.39 -0.30 2.82 4.77 0.14 -2.84 117.00 117.70 2jcb n LEU 147 Ca 0.06 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.65 2jcb n LEU 147 Cb 0.19 -0.45 0.26 0.00 -2.33 0.00 0.00 43.42 41.10 2jcb n LEU 147 CO 0.40 -0.20 1.24 0.58 -1.33 0.00 0.00 177.39 178.09 2jcb h VAL 148 N 0.00 1.02 -0.13 4.08 2.07 -1.61 -3.15 116.25 118.53 2jcb h VAL 148 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2jcb h VAL 148 Cb 0.52 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2jcb h VAL 148 CO 0.00 0.18 0.00 1.41 0.02 0.00 0.00 177.57 179.18 2jcb n HIS 149 N -4.51 0.16 -3.14 1.57 8.25 -1.16 -4.98 115.22 111.41 2jcb n HIS 149 Ca 0.15 -0.28 -0.40 0.00 -0.26 0.00 0.00 57.72 56.93 2jcb n HIS 149 Cb 0.25 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.82 3.45 -1.62 4.41 5.04 -1.13 -4.91 117.35 121.77 2jcb s TYR 150 Ca 0.12 1.00 0.13 0.00 -2.44 0.00 0.00 57.07 55.88 2jcb s TYR 150 Cb 0.07 -2.75 0.11 0.00 0.35 0.00 0.00 41.96 39.74 2jcb s TYR 150 CO 0.09 -0.05 0.93 1.63 -1.34 0.00 0.00 175.55 176.82 2jcb n LYS 151 N 4.48 0.89 -0.90 4.97 4.76 -1.26 -4.94 118.16 126.15 2jcb n LYS 151 Ca -0.02 -1.31 -0.10 0.00 -2.87 0.00 0.00 58.31 54.01 2jcb n LYS 151 Cb 0.50 -1.25 0.06 0.00 -1.84 0.00 0.00 35.03 32.51 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 0.73 -0.61 3.77 0.72 0.00 -1.26 -5.05 105.19 103.49 2jcb n GLY 152 Ca 0.08 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.83 4.42 0.06 1.61 -0.14 -1.02 -4.95 119.74 115.89 2jcb s LYS 153 Ca 0.26 1.62 0.07 0.00 -1.36 0.00 0.00 55.97 56.56 2jcb s LYS 153 Cb -0.01 -2.86 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 2jcb s LYS 153 CO 0.18 0.07 -0.20 0.95 -0.76 0.00 0.00 175.35 175.58 2jcb s THR 154 N -1.43 1.64 0.12 2.17 -4.23 -1.26 -1.03 115.64 111.62 2jcb s THR 154 Ca 0.51 -1.29 -0.16 0.00 -1.18 0.00 0.00 61.69 59.56 2jcb s THR 154 Cb -0.26 -1.45 0.04 0.00 1.34 0.00 0.00 72.50 72.16 2jcb s THR 154 CO 0.33 0.11 0.41 -1.48 -0.54 0.00 0.00 174.62 173.44 2jcb s LEU 155 N -1.40 0.37 0.09 4.79 0.05 -0.76 -3.17 118.68 118.64 2jcb s LEU 155 Ca 0.07 -0.28 0.08 0.00 0.05 0.00 0.00 54.13 54.05 2jcb s LEU 155 Cb -0.09 1.85 -0.03 0.00 -2.05 0.00 0.00 46.19 45.87 2jcb s LEU 155 CO 0.02 -0.84 -0.21 -0.44 -0.55 0.00 0.00 176.35 174.34 2jcb s SER 156 N -2.72 2.51 -0.15 1.48 0.01 0.24 -0.71 113.70 114.37 2jcb s SER 156 Ca 0.02 -0.65 -0.05 0.00 1.31 0.00 0.00 55.95 56.58 2jcb s SER 156 Cb 0.02 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 2jcb s SER 156 CO -0.11 0.08 0.03 -0.76 0.41 0.00 0.00 173.24 172.89 2jcb s LEU 157 N -1.73 3.69 -0.15 2.44 1.43 -1.26 -0.97 118.68 122.13 2jcb s LEU 157 Ca 0.07 0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 2jcb s LEU 157 Cb -0.10 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.27 2jcb s LEU 157 CO 0.04 0.24 0.45 0.00 0.23 0.00 0.00 176.35 177.30 2jcb s ALA 158 N -0.03 -1.12 0.54 4.21 0.00 -0.06 -4.88 121.76 120.42 2jcb s ALA 158 Ca 0.05 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.97 2jcb s ALA 158 Cb -0.12 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 2jcb s ALA 158 CO 0.01 -0.23 1.25 0.71 0.00 0.00 0.00 175.76 177.51 2jcb s TYR 159 N -0.02 2.49 0.56 0.00 2.02 -1.26 -3.87 117.35 117.27 2jcb s TYR 159 Ca -0.02 1.47 0.24 0.00 -0.37 0.00 0.00 57.07 58.39 2jcb s TYR 159 Cb -0.03 -3.57 1.54 0.00 -0.40 0.00 0.00 41.96 39.49 2jcb s TYR 159 CO 0.02 -2.26 2.15 0.66 -1.57 0.00 0.00 175.55 174.54 2jcb h SER 160 N 1.44 0.00 0.57 2.29 4.64 -1.95 -0.26 113.55 120.29 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 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2jcb h SER 160 CO 0.57 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.75 2jcb n PHE 161 N -4.15 0.37 0.54 4.77 1.16 -1.26 -1.46 117.46 117.43 2jcb n PHE 161 Ca -0.00 0.15 0.13 0.00 -1.87 0.00 0.00 57.45 55.85 2jcb n PHE 161 Cb 0.20 -0.74 0.40 0.00 -1.61 0.00 0.00 39.48 37.74 2jcb n PHE 161 CO 0.00 0.00 0.00 1.96 -1.87 0.00 0.00 176.76 176.85 2jcb h GLN 162 N 0.00 0.00 -6.52 3.97 4.20 -1.33 -3.45 115.11 111.98 2jcb h GLN 162 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 2jcb h GLN 162 Cb 0.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2jcb h GLN 162 CO 0.00 0.00 0.43 -1.64 -0.67 0.00 0.00 178.83 176.95 2jcb s MET 163 N -3.16 4.58 0.20 1.46 -1.94 -0.53 -1.81 119.30 118.10 2jcb s MET 163 Ca 0.09 1.56 0.06 0.00 -1.71 0.00 0.00 55.69 55.69 2jcb s MET 163 Cb 0.11 -3.38 -0.05 0.00 2.01 0.00 0.00 34.83 33.53 2jcb s MET 163 CO 0.57 0.01 -0.10 0.14 -0.01 0.00 0.00 175.02 175.63 2jcb s VAL 164 N 0.49 1.44 0.16 -6.03 -7.23 0.51 -4.92 120.40 104.82 2jcb s VAL 164 Ca 0.51 -2.13 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 2jcb s VAL 164 Cb -0.25 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.62 2jcb s VAL 164 CO 0.30 -0.56 1.57 -0.33 -0.31 0.00 0.00 175.10 175.76 2jcb h GLU 165 N 2.58 1.00 -3.28 4.82 4.39 -1.97 -3.40 114.58 118.72 2jcb h GLU 165 Ca -0.38 -0.40 -0.18 0.00 0.34 0.00 0.00 59.36 58.74 2jcb h GLU 165 Cb 1.21 -0.05 -0.26 0.00 -0.10 0.00 0.00 28.75 29.55 2jcb h GLU 165 CO 0.64 1.08 -0.50 -1.58 -1.16 0.00 0.00 179.01 177.48 2jcb s HIS 166 N -4.77 -0.20 -0.07 4.33 2.46 -1.26 -4.92 115.29 110.86 2jcb s HIS 166 Ca -0.12 0.50 0.03 0.00 0.47 0.00 0.00 55.06 55.94 2jcb s HIS 166 Cb 0.12 0.07 0.01 0.00 -0.13 0.00 0.00 32.58 32.65 2jcb s HIS 166 CO 0.86 -0.10 -0.15 0.42 -2.47 0.00 0.00 174.74 173.31 2jcb s ILE 167 N 0.09 1.31 -0.66 0.89 1.01 -1.26 -5.02 121.20 117.57 2jcb s ILE 167 Ca -0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 60.65 59.79 2jcb s ILE 167 Cb -0.01 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.30 2jcb s ILE 167 CO 0.00 0.39 1.40 -2.16 0.00 0.00 0.00 174.94 174.58 2jcb s PRO 168 N 0.55 3.16 0.06 2.79 0.04 -1.26 -4.97 135.00 135.37 2jcb s PRO 168 Ca -0.14 0.13 -0.23 0.00 0.04 0.00 0.00 61.00 60.80 2jcb s PRO 168 Cb -0.16 -4.18 -0.06 0.00 0.04 0.00 0.00 34.50 30.14 2jcb s PRO 168 CO 0.04 -2.14 0.69 0.08 0.04 0.00 0.00 177.00 175.71 2jcb s VAL 169 N 6.29 4.72 0.30 -0.36 1.01 -1.26 -4.95 120.40 126.15 2jcb s VAL 169 Ca 0.46 1.47 0.07 0.00 0.00 0.00 0.00 61.98 63.98 2jcb s VAL 169 Cb -0.09 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 2jcb s VAL 169 CO 0.20 0.43 0.31 -1.61 0.00 0.00 0.00 175.10 174.43 2jcb s GLU 170 N -0.43 2.96 0.48 2.72 2.02 -1.26 -5.01 118.70 120.18 2jcb s GLU 170 Ca 0.34 -1.10 0.21 0.00 0.02 0.00 0.00 54.97 54.45 2jcb s GLU 170 Cb -0.20 -2.63 1.23 0.00 0.10 0.00 0.00 34.13 32.63 2jcb s GLU 170 CO 0.21 0.22 2.03 -1.35 0.02 0.00 0.00 175.26 176.39 2jcb h PRO 171 N 1.23 0.00 0.00 0.39 0.11 -2.06 -0.58 132.00 131.09 2jcb h PRO 171 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jcb h PRO 171 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2jcb h PRO 171 CO 0.58 0.16 0.00 0.27 -0.21 0.00 0.00 178.00 178.80 2jcb h PHE 172 N 0.00 0.00 -2.60 0.65 -5.15 -1.98 -3.44 116.94 104.42 2jcb h PHE 172 Ca -0.00 0.00 -0.54 0.00 -0.20 0.00 0.00 57.97 57.23 2jcb h PHE 172 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.51 2jcb h PHE 172 CO 0.00 0.00 1.08 -0.51 -2.00 0.00 0.00 178.31 176.88 2jcb s ASP 173 N -5.30 6.63 -0.12 -0.68 1.01 -0.23 -4.81 116.67 113.18 2jcb s ASP 173 Ca 0.05 2.34 -0.10 0.00 0.71 0.00 0.00 52.55 55.55 2jcb s ASP 173 Cb 0.09 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 2jcb s ASP 173 CO 0.56 -0.93 0.20 -0.54 0.21 0.00 0.00 175.17 174.67 2jcb s LYS 174 N 3.78 3.73 0.36 8.23 -0.14 -1.26 -4.87 119.74 129.57 2jcb s LYS 174 Ca 0.75 -0.02 -0.13 0.00 -1.36 0.00 0.00 55.97 55.21 2jcb s LYS 174 Cb -0.36 -3.26 -0.08 0.00 -1.68 0.00 0.00 37.83 32.46 2jcb s LYS 174 CO 0.32 0.63 0.75 -0.80 -0.76 0.00 0.00 175.35 175.49 2jcb s ASN 175 N -0.65 6.67 0.29 2.83 0.01 -1.26 -4.52 114.94 118.31 2jcb s ASN 175 Ca 0.16 1.23 0.00 0.00 -0.71 0.00 0.00 52.86 53.53 2jcb s ASN 175 Cb -0.13 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 2jcb s ASN 175 CO 0.05 -0.29 0.48 0.68 -1.51 0.00 0.00 177.10 176.51 2jcb s VAL 176 N -2.14 5.14 -0.31 1.60 -7.23 -0.32 -5.01 120.40 112.13 2jcb s VAL 176 Ca 0.53 -0.45 0.21 0.00 -1.81 0.00 0.00 61.98 60.47 2jcb s VAL 176 Cb -0.10 -3.81 0.15 0.00 0.56 0.00 0.00 36.38 33.18 2jcb s VAL 176 CO 0.23 -0.40 1.33 -0.33 -0.31 0.00 0.00 175.10 175.62 2jcb h GLU 177 N 1.26 0.00 -2.17 4.82 5.08 -1.87 -3.41 114.58 118.29 2jcb h GLU 177 Ca -0.49 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 2jcb h GLU 177 Cb 1.21 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.24 2jcb h GLU 177 CO 0.64 0.08 0.02 0.21 -1.00 0.00 0.00 179.01 178.96 2jcb s LYS 178 N -3.22 0.73 -0.08 2.33 2.20 -1.20 -2.07 119.74 118.42 2jcb s LYS 178 Ca 0.03 0.96 0.05 0.00 -0.36 0.00 0.00 55.97 56.65 2jcb s LYS 178 Cb 0.07 0.30 -0.00 0.00 -1.51 0.00 0.00 37.83 36.69 2jcb s LYS 178 CO 0.73 -0.11 -0.23 0.42 -0.36 0.00 0.00 175.35 175.80 2jcb s ILE 179 N 0.67 1.99 -0.20 5.43 1.01 0.40 -0.59 121.20 129.91 2jcb s ILE 179 Ca -0.03 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 2jcb s ILE 179 Cb -0.05 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 2jcb s ILE 179 CO -0.04 0.55 -0.03 -0.63 0.00 0.00 0.00 174.94 174.78 2jcb s ILE 180 N 0.17 3.62 0.43 2.92 1.01 -0.14 -0.72 121.20 128.49 2jcb s ILE 180 Ca -0.13 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2jcb s ILE 180 Cb -0.16 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.70 2jcb s ILE 180 CO 0.07 0.44 0.12 0.35 0.00 0.00 0.00 174.94 175.92 2jcb n THR 181 N 4.31 0.00 0.74 2.92 -2.24 -0.34 -0.88 114.28 118.79 2jcb n THR 181 Ca -0.18 -1.91 0.09 0.00 -2.27 0.00 0.00 64.05 59.79 2jcb n THR 181 Cb 0.52 0.21 0.44 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.23 0.09 -0.00 -0.78 0.00 -1.26 -3.38 120.64 114.07 2jcb n GLU 182 Ca -0.12 0.15 0.10 0.00 0.00 0.00 0.00 57.16 57.29 2jcb n GLU 182 Cb 0.52 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.34 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 -1.44 0.51 -0.28 3.44 5.02 -1.26 -4.94 118.16 119.22 2jcb n LYS 183 Ca 0.06 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jcb n LYS 183 Cb 0.20 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 1.43 0.12 3.22 0.72 0.00 -1.22 -5.14 105.19 104.32 2jcb n GLY 184 Ca 0.01 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.86 1.09 -0.08 2.61 -4.23 -1.26 -1.20 115.64 108.71 2jcb s THR 185 Ca 0.00 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2jcb s THR 185 Cb 0.00 -1.62 0.02 0.00 1.34 0.00 0.00 72.50 72.24 2jcb s THR 185 CO 0.00 -0.63 -0.07 -0.04 -0.54 0.00 0.00 174.62 173.33 2jcb s MET 186 N -3.24 1.33 0.00 3.99 -1.94 0.11 -4.98 119.30 114.56 2jcb s MET 186 Ca 0.11 -0.22 0.04 0.00 -1.71 0.00 0.00 55.69 53.91 2jcb s MET 186 Cb -0.00 -1.33 -0.01 0.00 2.01 0.00 0.00 34.83 35.49 2jcb s MET 186 CO 0.01 -0.17 -0.13 0.08 -0.01 0.00 0.00 175.02 174.80 2jcb s VAL 187 N 1.35 1.01 0.00 -6.03 1.01 -1.26 -0.45 120.40 116.02 2jcb s VAL 187 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2jcb s VAL 187 Cb -0.14 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2jcb s VAL 187 CO -0.03 0.20 0.00 1.17 0.00 0.00 0.00 175.10 176.43