#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjk n VAL 10 N 0.00 2.10 -3.82 2.53 3.14 -1.26 -4.99 118.33 116.02 2jjk n VAL 10 Ca 0.00 -0.50 -0.18 0.00 -2.96 0.00 0.00 64.34 60.70 2jjk n VAL 10 Cb 0.00 -0.91 -0.17 0.00 -1.06 0.00 0.00 33.84 31.70 2jjk n VAL 10 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2jjk s ASN 11 N -0.71 0.70 0.32 6.55 3.84 -1.26 -5.08 114.94 119.29 2jjk s ASN 11 Ca 0.61 -0.00 0.07 0.00 0.21 0.00 0.00 52.86 53.75 2jjk s ASN 11 Cb -0.65 -0.21 -0.03 0.00 -0.55 0.00 0.00 41.25 39.82 2jjk s ASN 11 CO 0.58 -0.15 0.31 0.42 -2.79 0.00 0.00 177.10 175.47 2jjk s THR 12 N 1.42 3.84 0.24 -5.21 -4.23 -1.26 -0.52 115.64 109.92 2jjk s THR 12 Ca -0.04 -1.30 -0.06 0.00 -1.18 0.00 0.00 61.69 59.10 2jjk s THR 12 Cb -0.13 -3.28 0.23 0.00 1.34 0.00 0.00 72.50 70.65 2jjk s THR 12 CO -0.03 -0.21 1.89 0.25 -0.54 0.00 0.00 174.62 175.98 2jjk h LEU 13 N 1.23 0.98 0.41 4.79 5.85 -0.93 -1.19 115.31 126.46 2jjk h LEU 13 Ca -0.46 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 2jjk h LEU 13 Cb 1.25 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2jjk h LEU 13 CO 0.58 0.67 -0.22 0.74 -0.34 0.00 0.00 178.44 179.87 2jjk h THR 14 N 1.14 0.54 -0.50 1.05 2.02 -1.95 -1.41 112.91 113.80 2jjk h THR 14 Ca 0.36 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.62 2jjk h THR 14 Cb -0.00 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 66.88 2jjk h THR 14 CO -0.12 0.00 0.11 -0.09 0.37 0.00 0.00 175.52 175.79 2jjk h ARG 15 N -0.59 0.24 -0.27 6.66 2.43 -1.94 -2.69 114.38 118.22 2jjk h ARG 15 Ca -0.05 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2jjk h ARG 15 Cb 0.47 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 2jjk h ARG 15 CO 0.07 0.16 0.05 0.35 -1.51 0.00 0.00 179.97 179.08 2jjk h PHE 16 N 0.25 0.08 -0.46 2.20 3.57 -0.85 -1.46 116.94 120.26 2jjk h PHE 16 Ca 0.25 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.67 2jjk h PHE 16 Cb 0.33 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2jjk h PHE 16 CO -0.22 0.01 -0.10 0.28 -2.23 0.00 0.00 178.31 176.05 2jjk h VAL 17 N 0.15 1.26 -0.33 1.41 2.07 -1.17 -1.31 116.25 118.33 2jjk h VAL 17 Ca 0.13 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 2jjk h VAL 17 Cb 0.13 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2jjk h VAL 17 CO -0.17 0.41 0.04 -0.03 0.02 0.00 0.00 177.57 177.84 2jjk h MET 18 N 0.75 0.55 -0.06 1.57 1.85 -1.20 -0.21 114.93 118.18 2jjk h MET 18 Ca 0.13 -0.16 -0.15 0.00 -0.61 0.00 0.00 59.70 58.92 2jjk h MET 18 Cb 0.60 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.56 2jjk h MET 18 CO 0.04 0.65 -0.61 1.49 -0.40 0.00 0.00 176.91 178.08 2jjk h GLU 19 N 0.37 0.21 -0.75 0.39 4.57 -0.99 -1.92 114.58 116.46 2jjk h GLU 19 Ca 0.10 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 2jjk h GLU 19 Cb 0.37 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 2jjk h GLU 19 CO 0.01 0.75 0.27 0.93 -1.18 0.00 0.00 179.01 179.79 2jjk h GLU 20 N 0.15 1.15 -0.77 1.92 4.39 -1.14 -2.29 114.58 118.00 2jjk h GLU 20 Ca -0.01 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 2jjk h GLU 20 Cb 1.12 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.55 2jjk h GLU 20 CO 0.09 0.95 0.31 0.78 -1.16 0.00 0.00 179.01 179.99 2jjk h GLY 21 N 1.13 1.23 1.93 -3.84 0.00 -0.73 -0.92 103.07 101.88 2jjk h GLY 21 Ca 0.25 -0.67 -0.17 0.00 0.00 0.00 0.00 47.33 46.74 2jjk h GLY 21 CO -0.01 0.63 -0.80 3.21 0.00 0.00 0.00 176.54 179.56 2jjk h ARG 22 N 1.11 0.06 0.00 4.80 3.08 -1.33 0.28 114.38 122.39 2jjk h ARG 22 Ca 0.26 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 2jjk h ARG 22 Cb 0.21 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2jjk h ARG 22 CO -0.02 0.83 -0.34 0.87 -1.07 0.00 0.00 179.97 180.24 2jjk h LYS 23 N 0.04 0.00 -0.16 0.04 1.57 -1.21 -2.40 116.57 114.44 2jjk h LYS 23 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jjk h LYS 23 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2jjk h LYS 23 CO 0.11 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.33 2jjk n ALA 24 N -2.35 2.48 -2.35 3.86 0.00 -0.37 -4.96 120.51 116.82 2jjk n ALA 24 Ca -0.01 -0.70 -0.14 0.00 0.00 0.00 0.00 53.44 52.59 2jjk n ALA 24 Cb 0.43 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 2jjk n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jjk n ARG 25 N 0.99 -2.08 -1.25 0.00 1.74 0.60 -4.93 116.66 111.73 2jjk n ARG 25 Ca 0.17 0.67 -0.30 0.00 -0.77 0.00 0.00 57.85 57.63 2jjk n ARG 25 Cb 0.51 -5.26 0.14 0.00 -1.02 0.00 0.00 32.46 26.83 2jjk n ARG 25 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2jjk s GLY 26 N -2.04 1.61 0.31 -0.13 0.00 0.65 -4.96 107.32 102.77 2jjk s GLY 26 Ca 0.00 -0.14 0.26 0.00 0.00 0.00 0.00 44.72 44.84 2jjk s GLY 26 CO 0.00 0.37 1.75 -0.91 0.00 0.00 0.00 173.10 174.31 2jjk h THR 27 N -1.54 0.00 0.00 0.90 1.35 -1.92 -3.46 112.91 108.24 2jjk h THR 27 Ca -0.50 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 2jjk h THR 27 Cb 1.29 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 2jjk h THR 27 CO 0.56 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 2jjk n GLY 28 N 0.78 0.21 0.32 5.82 0.00 -1.26 -4.98 105.19 106.07 2jjk n GLY 28 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 2jjk n GLY 28 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jjk h GLU 29 N 4.37 1.12 0.00 1.61 4.81 -1.98 -0.31 114.58 124.19 2jjk h GLU 29 Ca 0.00 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 2jjk h GLU 29 Cb 0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2jjk h GLU 29 CO 0.00 1.02 -0.36 1.25 -0.73 0.00 0.00 179.01 180.19 2jjk h LEU 30 N 1.04 0.00 -0.27 1.64 5.85 -1.94 -1.42 115.31 120.21 2jjk h LEU 30 Ca 0.20 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 2jjk h LEU 30 Cb 0.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2jjk h LEU 30 CO 0.01 0.36 -0.07 0.74 -0.34 0.00 0.00 178.44 179.15 2jjk h THR 31 N 0.00 1.28 -0.49 1.05 2.02 -1.74 -0.53 112.91 114.50 2jjk h THR 31 Ca -0.00 -1.09 0.04 0.00 0.77 0.00 0.00 66.41 66.12 2jjk h THR 31 Cb 0.75 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 2jjk h THR 31 CO 0.05 0.35 0.27 1.56 0.37 0.00 0.00 175.52 178.11 2jjk h GLN 32 N 0.28 0.51 0.19 6.66 1.08 -0.91 0.40 115.11 123.31 2jjk h GLN 32 Ca 0.07 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2jjk h GLN 32 Cb 0.55 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 2jjk h GLN 32 CO 0.03 0.34 -0.43 1.25 -0.95 0.00 0.00 178.83 179.06 2jjk h LEU 33 N 0.52 -1.25 -0.21 1.46 5.85 -1.18 -0.20 115.31 120.29 2jjk h LEU 33 Ca 0.21 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 2jjk h LEU 33 Cb 0.09 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2jjk h LEU 33 CO -0.13 -0.52 0.10 -0.07 -0.34 0.00 0.00 178.44 177.49 2jjk h LEU 34 N -0.71 0.27 -0.61 2.25 3.38 -0.72 -0.81 115.31 118.37 2jjk h LEU 34 Ca 0.01 -0.12 0.11 0.00 0.09 0.00 0.00 57.88 57.97 2jjk h LEU 34 Cb 0.71 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.27 2jjk h LEU 34 CO -0.21 0.32 -0.29 0.78 0.09 0.00 0.00 178.44 179.13 2jjk h ASN 35 N 0.21 -1.01 -0.95 -0.43 2.35 -0.21 0.10 115.58 115.65 2jjk h ASN 35 Ca 0.07 0.22 0.05 0.00 -0.55 0.00 0.00 56.30 56.09 2jjk h ASN 35 Cb 0.12 0.53 -0.06 0.00 0.05 0.00 0.00 38.32 38.96 2jjk h ASN 35 CO -0.01 -0.28 0.62 0.28 -1.65 0.00 0.00 177.43 176.38 2jjk h SER 36 N -0.12 0.99 -0.06 5.81 0.02 -0.60 -2.04 113.55 117.54 2jjk h SER 36 Ca 0.26 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.03 2jjk h SER 36 Cb 0.54 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2jjk h SER 36 CO -0.68 0.65 -0.57 0.25 -1.14 0.00 0.00 176.83 175.34 2jjk h LEU 37 N 1.13 0.74 -1.11 5.07 5.85 0.07 -2.57 115.31 124.50 2jjk h LEU 37 Ca 0.40 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2jjk h LEU 37 Cb 0.11 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2jjk h LEU 37 CO -0.14 1.15 -0.18 0.00 -0.34 0.00 0.00 178.44 178.93 2jjk h THR 39 N 0.37 1.21 -0.61 0.00 2.02 -1.13 -1.26 112.91 113.51 2jjk h THR 39 Ca 0.07 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 2jjk h THR 39 Cb 0.54 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2jjk h THR 39 CO 0.04 0.24 0.26 0.00 0.37 0.00 0.00 175.52 176.43 2jjk h ALA 40 N 1.08 0.79 -0.47 6.16 0.00 -1.16 -2.22 119.26 123.44 2jjk h ALA 40 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2jjk h ALA 40 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2jjk h ALA 40 CO -0.02 0.39 0.00 0.28 0.00 0.00 0.00 179.25 179.91 2jjk h VAL 41 N 0.85 1.24 -0.62 0.00 2.07 -1.00 0.41 116.25 119.19 2jjk h VAL 41 Ca 0.21 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.65 2jjk h VAL 41 Cb 0.18 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2jjk h VAL 41 CO -0.02 0.35 0.03 0.11 0.02 0.00 0.00 177.57 178.05 2jjk h LYS 42 N 0.73 1.08 -0.44 1.57 1.57 -1.07 1.00 116.57 121.01 2jjk h LYS 42 Ca 0.14 -0.33 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 2jjk h LYS 42 Cb 0.44 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2jjk h LYS 42 CO 0.02 1.03 -0.23 0.00 -0.57 0.00 0.00 179.45 179.70 2jjk h ALA 43 N 1.02 0.76 0.05 3.86 0.00 -0.85 -0.50 119.26 123.61 2jjk h ALA 43 Ca 0.18 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jjk h ALA 43 Cb 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jjk h ALA 43 CO 0.03 0.66 -0.02 0.82 0.00 0.00 0.00 179.25 180.73 2jjk h ILE 44 N 0.78 1.09 -0.61 0.00 2.04 -0.07 -2.11 117.51 118.62 2jjk h ILE 44 Ca 0.10 -0.43 0.13 0.00 1.00 0.00 0.00 64.86 65.66 2jjk h ILE 44 Cb 0.78 1.37 -0.11 0.00 -0.74 0.00 0.00 36.82 38.13 2jjk h ILE 44 CO 0.06 0.11 -0.04 -1.28 0.00 0.00 0.00 178.15 177.00 2jjk h SER 45 N -0.25 -0.36 -0.59 1.72 0.87 -0.71 0.11 113.55 114.34 2jjk h SER 45 Ca -0.01 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2jjk h SER 45 Cb 0.22 0.30 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 2jjk h SER 45 CO 0.01 -0.14 0.35 -1.28 -0.53 0.00 0.00 176.83 175.24 2jjk h SER 46 N 0.08 0.72 -0.20 6.23 0.87 -0.99 0.21 113.55 120.46 2jjk h SER 46 Ca 0.31 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 2jjk h SER 46 Cb 0.50 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2jjk h SER 46 CO -0.56 0.58 0.04 0.00 -0.53 0.00 0.00 176.83 176.36 2jjk h ALA 47 N 1.17 0.26 -0.83 6.23 0.00 -0.65 -2.69 119.26 122.75 2jjk h ALA 47 Ca 0.21 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2jjk h ALA 47 Cb -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2jjk h ALA 47 CO -0.04 -0.07 0.50 0.28 0.00 0.00 0.00 179.25 179.92 2jjk h VAL 48 N 0.13 0.99 0.00 0.00 2.07 -0.52 -0.11 116.25 118.81 2jjk h VAL 48 Ca 0.06 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2jjk h VAL 48 Cb 0.30 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2jjk h VAL 48 CO 0.00 0.16 0.00 0.54 0.02 0.00 0.00 177.57 178.30 2jjk n ARG 49 N -4.67 0.84 -2.52 1.57 3.00 0.04 -4.89 116.66 110.02 2jjk n ARG 49 Ca 0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 57.85 57.88 2jjk n ARG 49 Cb 0.21 -1.42 0.01 0.00 0.00 0.00 0.00 32.46 31.26 2jjk n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2jjk n LYS 50 N -0.92 -1.74 -1.70 5.56 4.76 -0.05 -5.00 118.16 119.07 2jjk n LYS 50 Ca 0.17 0.33 -0.43 0.00 -2.87 0.00 0.00 58.31 55.51 2jjk n LYS 50 Cb 0.08 -4.00 -0.03 0.00 -1.84 0.00 0.00 35.03 29.23 2jjk n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jjk n ALA 51 N -2.38 2.37 -0.49 7.82 0.00 -1.03 -1.96 120.51 124.83 2jjk n ALA 51 Ca -0.04 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2jjk n ALA 51 Cb 0.55 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.46 2jjk n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jjk n GLY 52 N 4.03 1.22 0.43 0.00 0.00 -1.26 -4.84 105.19 104.76 2jjk n GLY 52 Ca 0.17 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.43 2jjk n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jjk h ILE 53 N 0.00 0.63 -0.31 -0.61 2.10 -1.80 0.96 117.51 118.48 2jjk h ILE 53 Ca 0.00 -0.03 0.09 0.00 1.08 0.00 0.00 64.86 66.00 2jjk h ILE 53 Cb 0.00 0.54 -0.01 0.00 -1.09 0.00 0.00 36.82 36.26 2jjk h ILE 53 CO 0.00 0.02 0.24 0.00 -1.08 0.00 0.00 178.15 177.33 2jjk h ALA 54 N 1.62 2.22 -0.01 0.18 0.00 -1.92 -0.55 119.26 120.80 2jjk h ALA 54 Ca 0.38 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 2jjk h ALA 54 Cb 1.39 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2jjk h ALA 54 CO -0.04 -0.41 -0.71 0.45 0.00 0.00 0.00 179.25 178.55 2jjk h HIS 55 N 0.00 0.11 0.00 0.00 3.86 -1.21 -2.16 115.15 115.75 2jjk h HIS 55 Ca 0.15 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 2jjk h HIS 55 Cb 0.63 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 2jjk h HIS 55 CO 0.00 0.76 -0.10 -0.07 0.86 0.00 0.00 177.93 179.38 2jjk h LEU 56 N 0.05 0.00 -3.12 2.43 3.38 -1.18 -3.13 115.31 113.74 2jjk h LEU 56 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jjk h LEU 56 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2jjk h LEU 56 CO 0.10 0.10 0.00 -1.22 0.09 0.00 0.00 178.44 177.51 2jjk n TYR 57 N -3.28 1.18 -1.00 1.13 4.02 -0.99 -4.95 117.16 113.26 2jjk n TYR 57 Ca -0.00 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.24 2jjk n TYR 57 Cb 0.33 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 2jjk n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jjk n GLY 58 N 0.66 0.75 0.36 2.72 0.00 -1.10 -4.97 105.19 103.61 2jjk n GLY 58 Ca 0.22 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.67 2jjk n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jjk h ILE 59 N 0.00 0.92 -0.60 -0.61 2.10 -1.62 -0.69 117.51 117.00 2jjk h ILE 59 Ca 0.00 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.71 2jjk h ILE 59 Cb 0.34 0.20 0.00 0.00 -1.09 0.00 0.00 36.82 36.26 2jjk h ILE 59 CO 0.00 0.12 0.00 0.00 -1.08 0.00 0.00 178.15 177.19 2jjk n ALA 60 N -2.46 3.03 0.00 0.18 0.00 -1.26 -5.09 120.51 114.91 2jjk n ALA 60 Ca 0.13 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 51.94 2jjk n ALA 60 Cb 0.35 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2jjk n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jjk n GLY 61 N 0.97 0.67 0.00 0.00 0.00 -0.27 -5.22 105.19 101.35 2jjk n GLY 61 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2jjk n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jjk n VAL 70 N -1.72 0.00 -1.78 1.61 0.31 -1.26 -4.74 118.33 110.75 2jjk n VAL 70 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 2jjk n VAL 70 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 2jjk n VAL 70 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2jjk s LYS 71 N -0.60 3.54 0.64 5.55 1.02 -1.26 -4.97 119.74 123.65 2jjk s LYS 71 Ca 0.00 2.39 -0.18 0.00 0.02 0.00 0.00 55.97 58.20 2jjk s LYS 71 Cb 0.00 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 2jjk s LYS 71 CO 0.00 -0.93 1.28 0.15 -0.92 0.00 0.00 175.35 174.93 2jjk s LYS 72 N -2.57 2.63 0.41 1.68 3.01 -1.26 -4.76 119.74 118.87 2jjk s LYS 72 Ca 0.64 2.02 0.09 0.00 -1.01 0.00 0.00 55.97 57.71 2jjk s LYS 72 Cb -0.43 -1.86 0.85 0.00 -1.01 0.00 0.00 37.83 35.38 2jjk s LYS 72 CO 0.55 -1.53 1.99 -0.07 0.51 0.00 0.00 175.35 176.80 2jjk h LEU 73 N 0.61 0.31 -0.66 3.17 3.38 -1.98 -0.52 115.31 119.63 2jjk h LEU 73 Ca -0.51 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.29 2jjk h LEU 73 Cb 1.33 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2jjk h LEU 73 CO 0.53 0.34 -0.63 -2.24 0.09 0.00 0.00 178.44 176.53 2jjk h ASP 74 N 0.34 0.00 -0.21 -0.43 2.03 -1.91 0.13 116.42 116.37 2jjk h ASP 74 Ca 0.08 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.22 2jjk h ASP 74 Cb 0.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 2jjk h ASP 74 CO -0.00 0.63 -0.50 0.58 -1.03 0.00 0.00 179.24 178.92 2jjk h VAL 75 N 0.00 1.31 -0.68 4.15 2.07 -1.79 -2.17 116.25 119.14 2jjk h VAL 75 Ca -0.01 -1.72 -0.08 0.00 0.82 0.00 0.00 66.70 65.71 2jjk h VAL 75 Cb 1.17 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 2jjk h VAL 75 CO 0.08 0.54 0.11 0.25 0.02 0.00 0.00 177.57 178.58 2jjk h LEU 76 N 0.42 1.08 -0.08 2.57 5.85 -0.87 -1.64 115.31 122.63 2jjk h LEU 76 Ca -0.00 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 2jjk h LEU 76 Cb 1.11 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 2jjk h LEU 76 CO 0.11 1.06 0.04 0.28 -0.34 0.00 0.00 178.44 179.59 2jjk h SER 77 N 1.05 0.11 -0.39 1.25 0.02 -1.00 -0.89 113.55 113.70 2jjk h SER 77 Ca 0.21 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2jjk h SER 77 Cb 0.44 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 2jjk h SER 77 CO 0.01 0.20 0.13 -1.13 -1.14 0.00 0.00 176.83 174.90 2jjk h ASN 78 N 0.01 0.13 -0.63 3.07 -1.24 -1.33 -1.38 115.58 114.21 2jjk h ASN 78 Ca 0.03 0.05 0.06 0.00 0.71 0.00 0.00 56.30 57.14 2jjk h ASN 78 Cb 0.12 0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.15 2jjk h ASN 78 CO -0.00 0.11 0.34 0.44 -1.29 0.00 0.00 177.43 177.03 2jjk h ASP 79 N 0.29 0.50 0.26 1.15 3.32 -0.91 -0.57 116.42 120.46 2jjk h ASP 79 Ca 0.18 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2jjk h ASP 79 Cb 0.17 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2jjk h ASP 79 CO -0.19 0.33 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.46 2jjk h LEU 80 N 0.64 -0.30 0.13 1.55 3.38 -0.91 -1.11 115.31 118.69 2jjk h LEU 80 Ca 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2jjk h LEU 80 Cb 0.18 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2jjk h LEU 80 CO -0.18 -0.09 -0.06 0.58 0.09 0.00 0.00 178.44 178.78 2jjk h VAL 81 N -0.50 0.96 -0.38 1.22 2.07 -1.11 0.92 116.25 119.43 2jjk h VAL 81 Ca -0.04 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.24 2jjk h VAL 81 Cb 0.37 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 2jjk h VAL 81 CO 0.06 0.08 -0.16 0.24 0.02 0.00 0.00 177.57 177.81 2jjk h MET 82 N -0.32 -0.08 -0.12 1.57 2.86 -1.15 0.14 114.93 117.81 2jjk h MET 82 Ca -0.02 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2jjk h MET 82 Cb 0.26 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2jjk h MET 82 CO 0.03 -0.05 -0.06 -0.97 1.06 0.00 0.00 176.91 176.91 2jjk h ASN 83 N -0.09 0.27 -0.48 1.22 -1.24 -1.06 0.54 115.58 114.74 2jjk h ASN 83 Ca 0.19 -0.41 -0.01 0.00 0.71 0.00 0.00 56.30 56.77 2jjk h ASN 83 Cb 0.37 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 2jjk h ASN 83 CO -0.43 0.62 0.27 0.24 -1.29 0.00 0.00 177.43 176.83 2jjk h MET 84 N -0.09 0.67 -0.61 6.67 2.86 -0.57 -2.30 114.93 121.56 2jjk h MET 84 Ca 0.03 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2jjk h MET 84 Cb 0.52 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2jjk h MET 84 CO 0.02 0.53 0.22 -0.07 1.06 0.00 0.00 176.91 178.67 2jjk h LEU 85 N 0.64 0.86 -1.27 1.22 3.38 -0.69 -2.73 115.31 116.72 2jjk h LEU 85 Ca 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2jjk h LEU 85 Cb 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2jjk h LEU 85 CO -0.03 0.81 0.34 0.11 0.09 0.00 0.00 178.44 179.76 2jjk h LYS 86 N 0.86 0.84 -0.23 1.13 1.57 -0.79 -2.91 116.57 117.03 2jjk h LYS 86 Ca 0.20 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2jjk h LYS 86 Cb 0.23 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2jjk h LYS 86 CO -0.01 0.62 0.00 -1.13 -0.57 0.00 0.00 179.45 178.35 2jjk n SER 87 N -4.39 1.79 0.03 0.86 3.41 -0.88 -3.57 113.62 110.88 2jjk n SER 87 Ca 0.06 -1.80 0.13 0.00 -0.26 0.00 0.00 58.87 57.00 2jjk n SER 87 Cb 0.10 -0.15 0.43 0.00 -0.26 0.00 0.00 64.21 64.33 2jjk n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2jjk n SER 88 N 0.42 0.38 -0.52 4.04 3.41 -1.05 -4.89 113.62 115.41 2jjk n SER 88 Ca 0.15 0.31 -0.07 0.00 -0.26 0.00 0.00 58.87 59.00 2jjk n SER 88 Cb 0.33 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 2jjk n SER 88 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2jjk n PHE 89 N -1.75 0.00 0.37 7.33 3.01 -1.23 -4.65 117.46 120.53 2jjk n PHE 89 Ca 0.06 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.56 2jjk n PHE 89 Cb 0.37 -2.30 0.02 0.00 -0.01 0.00 0.00 39.48 37.56 2jjk n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jjk n ALA 90 N 1.13 2.59 -2.44 4.37 0.00 -1.26 -3.48 120.51 121.41 2jjk n ALA 90 Ca -0.07 -0.51 -0.23 0.00 0.00 0.00 0.00 53.44 52.63 2jjk n ALA 90 Cb 0.51 -0.30 -0.11 0.00 0.00 0.00 0.00 19.45 19.55 2jjk n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jjk s THR 91 N -0.94 2.03 0.00 0.00 -4.23 -1.26 -1.74 115.64 109.51 2jjk s THR 91 Ca 0.09 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 2jjk s THR 91 Cb 0.07 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.92 2jjk s THR 91 CO 0.15 -0.29 0.00 0.00 -0.54 0.00 0.00 174.62 173.94 2jjk s VAL 93 N -1.77 0.98 -0.11 0.00 1.01 -1.24 -0.66 120.40 118.61 2jjk s VAL 93 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2jjk s VAL 93 Cb 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2jjk s VAL 93 CO 0.00 0.32 -0.13 -0.76 0.00 0.00 0.00 175.10 174.53 2jjk s LEU 94 N 0.67 1.60 -0.13 3.92 1.43 -0.41 -1.18 118.68 124.58 2jjk s LEU 94 Ca -0.13 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2jjk s LEU 94 Cb -0.15 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 2jjk s LEU 94 CO 0.03 -0.02 -0.07 -0.69 0.23 0.00 0.00 176.35 175.82 2jjk s VAL 95 N 1.18 3.60 0.06 -1.59 1.01 0.20 -0.00 120.40 124.85 2jjk s VAL 95 Ca -0.03 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2jjk s VAL 95 Cb -0.14 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2jjk s VAL 95 CO -0.04 0.53 -0.10 -0.55 0.00 0.00 0.00 175.10 174.94 2jjk s SER 96 N 0.06 1.15 0.53 3.32 0.15 -1.26 -0.79 113.70 116.86 2jjk s SER 96 Ca -0.02 -0.61 0.25 0.00 0.70 0.00 0.00 55.95 56.27 2jjk s SER 96 Cb -0.14 0.01 1.38 0.00 -1.71 0.00 0.00 66.02 65.57 2jjk s SER 96 CO 0.03 -0.18 1.98 -0.08 1.20 0.00 0.00 173.24 176.19 2jjk h GLU 97 N 4.29 0.02 0.00 5.44 4.22 -1.86 -2.23 114.58 124.46 2jjk h GLU 97 Ca -0.37 -0.00 -0.15 0.00 0.08 0.00 0.00 59.36 58.91 2jjk h GLU 97 Cb 1.20 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2jjk h GLU 97 CO 0.43 0.02 -0.74 0.93 -2.18 0.00 0.00 179.01 177.47 2jjk h GLU 98 N 0.02 0.00 -5.26 1.92 4.39 -1.95 -3.45 114.58 110.25 2jjk h GLU 98 Ca 0.27 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.33 2jjk h GLU 98 Cb 1.06 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.48 2jjk h GLU 98 CO -0.01 0.74 -0.68 -0.51 -1.16 0.00 0.00 179.01 177.39 2jjk s ASP 99 N -6.78 4.69 0.26 1.42 1.11 -0.84 -5.00 116.67 111.52 2jjk s ASP 99 Ca -0.00 -0.17 -0.02 0.00 0.18 0.00 0.00 52.55 52.53 2jjk s ASP 99 Cb 0.12 -1.77 0.43 0.00 1.07 0.00 0.00 42.92 42.77 2jjk s ASP 99 CO 0.78 0.15 1.84 0.50 1.18 0.00 0.00 175.17 179.62 2jjk h LYS 100 N 6.88 0.95 -6.42 8.23 1.63 -1.87 -3.43 116.57 122.55 2jjk h LYS 100 Ca -0.32 -0.06 -0.62 0.00 -0.85 0.00 0.00 60.65 58.81 2jjk h LYS 100 Cb 1.19 -0.21 -0.14 0.00 -0.60 0.00 0.00 32.23 32.47 2jjk h LYS 100 CO 0.62 0.63 -0.73 -1.01 -3.45 0.00 0.00 179.45 175.51 2jjk s HIS 101 N -6.02 2.58 0.44 1.91 3.76 -1.26 -4.94 115.29 111.77 2jjk s HIS 101 Ca -0.12 -0.24 -0.24 0.00 -0.15 0.00 0.00 55.06 54.30 2jjk s HIS 101 Cb 0.20 -1.24 -0.09 0.00 1.11 0.00 0.00 32.58 32.56 2jjk s HIS 101 CO 0.80 0.54 1.15 0.00 -0.85 0.00 0.00 174.74 176.38 2jjk n ALA 102 N -0.10 0.79 -2.72 -1.40 0.00 -1.26 -4.84 120.51 110.98 2jjk n ALA 102 Ca -0.10 0.22 -0.38 0.00 0.00 0.00 0.00 53.44 53.18 2jjk n ALA 102 Cb 0.56 -2.19 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 2jjk n ALA 102 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jjk s ILE 103 N -1.26 5.18 -0.29 0.00 1.09 0.99 -4.93 121.20 121.99 2jjk s ILE 103 Ca 0.64 0.96 -0.11 0.00 -1.10 0.00 0.00 60.65 61.03 2jjk s ILE 103 Cb -0.51 -3.82 -0.04 0.00 -1.06 0.00 0.00 42.46 37.02 2jjk s ILE 103 CO 0.56 0.32 0.20 -0.63 -0.10 0.00 0.00 174.94 175.29 2jjk s ILE 104 N 0.68 5.29 0.26 2.92 -1.09 -1.26 -1.29 121.20 126.70 2jjk s ILE 104 Ca 0.26 0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.47 2jjk s ILE 104 Cb -0.15 -3.56 -0.10 0.00 -1.58 0.00 0.00 42.46 37.07 2jjk s ILE 104 CO 0.10 0.20 1.32 -0.69 -1.23 0.00 0.00 174.94 174.64 2jjk s VAL 105 N 1.75 2.97 0.52 2.92 1.01 0.17 -4.93 120.40 124.81 2jjk s VAL 105 Ca 0.07 0.86 -0.23 0.00 0.00 0.00 0.00 61.98 62.69 2jjk s VAL 105 Cb -0.16 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 2jjk s VAL 105 CO 0.11 0.16 1.38 -1.83 0.00 0.00 0.00 175.10 174.92 2jjk s GLU 106 N -0.78 3.27 0.27 2.72 -1.05 -1.26 -4.66 118.70 117.21 2jjk s GLU 106 Ca 0.54 2.30 -0.03 0.00 -0.15 0.00 0.00 54.97 57.62 2jjk s GLU 106 Cb -0.38 -2.36 0.55 0.00 -0.44 0.00 0.00 34.13 31.50 2jjk s GLU 106 CO 0.44 -1.10 1.63 -1.35 0.95 0.00 0.00 175.26 175.82 2jjk h PRO 107 N 1.68 0.11 0.00 -4.83 0.11 -1.98 0.19 132.00 127.28 2jjk h PRO 107 Ca -0.51 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2jjk h PRO 107 Cb 1.29 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jjk h PRO 107 CO 0.58 0.07 -0.01 0.93 -0.21 0.00 0.00 178.00 179.36 2jjk h GLU 108 N 0.11 0.00 -0.01 1.05 5.08 -2.02 -2.63 114.58 116.16 2jjk h GLU 108 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 2jjk h GLU 108 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2jjk h GLU 108 CO -0.71 0.01 -0.35 1.63 -1.00 0.00 0.00 179.01 178.59 2jjk n LYS 109 N -3.13 1.98 -1.84 2.33 5.02 0.62 -5.04 118.16 118.10 2jjk n LYS 109 Ca -0.01 -0.60 -0.40 0.00 -2.02 0.00 0.00 58.31 55.27 2jjk n LYS 109 Cb 0.20 -1.19 0.01 0.00 -0.02 0.00 0.00 35.03 34.02 2jjk n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jjk s ARG 110 N -1.79 3.90 0.10 1.97 0.52 -0.88 -4.05 118.95 118.72 2jjk s ARG 110 Ca 0.10 2.44 0.01 0.00 -0.52 0.00 0.00 55.73 57.77 2jjk s ARG 110 Cb 0.11 -2.80 -0.00 0.00 0.52 0.00 0.00 34.95 32.77 2jjk s ARG 110 CO 0.38 -0.65 0.04 0.41 0.02 0.00 0.00 175.30 175.50 2jjk n GLY 111 N 0.55 3.87 0.03 -3.53 0.00 0.13 -4.65 105.19 101.59 2jjk n GLY 111 Ca 0.03 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.25 2jjk n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jjk n LYS 112 N -0.22 0.15 -3.92 1.61 2.85 -1.18 -3.09 118.16 114.35 2jjk n LYS 112 Ca -0.01 -0.06 -0.29 0.00 -1.05 0.00 0.00 58.31 56.90 2jjk n LYS 112 Cb 0.15 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.00 2jjk n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2jjk s TYR 113 N -2.90 3.51 -0.13 5.58 2.02 -0.71 -1.21 117.35 123.51 2jjk s TYR 113 Ca 0.15 0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 57.04 2jjk s TYR 113 Cb 0.18 -1.73 -0.02 0.00 -0.40 0.00 0.00 41.96 40.00 2jjk s TYR 113 CO 0.61 0.56 -0.11 0.08 -1.57 0.00 0.00 175.55 175.12 2jjk s VAL 114 N -1.61 3.28 -0.11 0.71 1.01 0.21 -0.86 120.40 123.03 2jjk s VAL 114 Ca 0.35 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2jjk s VAL 114 Cb -0.12 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.88 2jjk s VAL 114 CO 0.28 0.52 -0.20 -0.69 0.00 0.00 0.00 175.10 175.01 2jjk s VAL 115 N 0.25 1.85 -0.16 2.92 1.01 -0.33 -0.49 120.40 125.46 2jjk s VAL 115 Ca -0.07 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 2jjk s VAL 115 Cb -0.15 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2jjk s VAL 115 CO 0.05 0.51 -0.04 0.00 0.00 0.00 0.00 175.10 175.62 2jjk s PHE 117 N 0.35 0.11 -0.30 0.00 -0.71 0.03 -0.40 117.98 117.06 2jjk s PHE 117 Ca -0.04 -0.38 0.00 0.00 -1.04 0.00 0.00 56.93 55.47 2jjk s PHE 117 Cb -0.14 -0.07 0.06 0.00 -1.21 0.00 0.00 43.02 41.66 2jjk s PHE 117 CO 0.03 -0.43 -0.02 0.34 -1.34 0.00 0.00 175.22 173.81 2jjk s ASP 118 N -2.20 4.77 0.12 1.98 -1.08 -0.11 -2.29 116.67 117.86 2jjk s ASP 118 Ca -0.04 -1.43 -0.14 0.00 -0.52 0.00 0.00 52.55 50.42 2jjk s ASP 118 Cb -0.00 -1.67 -0.05 0.00 -1.46 0.00 0.00 42.92 39.75 2jjk s ASP 118 CO -0.05 -0.27 1.51 1.55 0.52 0.00 0.00 175.17 178.43 2jjk h PRO 119 N 7.90 0.72 -1.89 4.34 0.13 -1.85 -0.15 132.00 141.21 2jjk h PRO 119 Ca -0.19 -0.29 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 2jjk h PRO 119 Cb 1.05 -0.03 -0.38 0.00 0.13 0.00 0.00 31.00 31.77 2jjk h PRO 119 CO 0.52 0.89 -1.09 -0.11 -0.23 0.00 0.00 178.00 177.98 2jjk n LEU 120 N -4.35 0.12 -4.70 1.56 7.94 -1.23 -4.23 117.00 112.11 2jjk n LEU 120 Ca -0.02 -4.67 -0.43 0.00 -1.11 0.00 0.00 56.01 49.78 2jjk n LEU 120 Cb 0.37 0.66 -0.03 0.00 0.53 0.00 0.00 43.42 44.95 2jjk n LEU 120 CO 0.43 2.10 1.35 -0.67 -1.11 0.00 0.00 177.39 179.49 2jjk n ASP 121 N 1.23 3.77 0.00 1.96 2.03 0.26 -2.36 116.55 123.43 2jjk n ASP 121 Ca 0.21 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.57 2jjk n ASP 121 Cb 0.56 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 2jjk n ASP 121 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jjk n GLY 122 N 3.90 0.72 0.00 0.27 0.00 -1.26 -1.99 105.19 106.83 2jjk n GLY 122 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.34 2jjk n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jjk n SER 123 N 0.00 0.00 -0.18 1.61 3.41 -1.00 -3.20 113.62 114.27 2jjk n SER 123 Ca 0.00 -0.78 -0.08 0.00 -0.26 0.00 0.00 58.87 57.74 2jjk n SER 123 Cb 0.00 -0.07 0.05 0.00 -0.26 0.00 0.00 64.21 63.94 2jjk n SER 123 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2jjk h SER 124 N 0.00 0.98 -0.30 4.04 4.64 -1.93 -2.81 113.55 118.17 2jjk h SER 124 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2jjk h SER 124 Cb 0.06 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 2jjk h SER 124 CO 0.00 1.06 0.00 0.59 -0.87 0.00 0.00 176.83 177.61 2jjk n ASN 125 N -4.17 2.38 0.17 4.97 3.02 -1.19 -4.59 115.26 115.85 2jjk n ASN 125 Ca 0.02 -1.86 0.18 0.00 -0.03 0.00 0.00 54.58 52.89 2jjk n ASN 125 Cb 0.37 -0.20 0.66 0.00 -0.61 0.00 0.00 39.78 40.00 2jjk n ASN 125 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2jjk h ILE 126 N 2.99 0.16 0.00 2.41 2.10 -1.61 -0.14 117.51 123.42 2jjk h ILE 126 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2jjk h ILE 126 Cb 0.66 0.51 0.00 0.00 -1.09 0.00 0.00 36.82 36.91 2jjk h ILE 126 CO 0.00 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 177.51 2jjk h ASP 127 N 0.00 0.00 -0.65 2.19 3.32 -1.83 0.14 116.42 119.58 2jjk h ASP 127 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2jjk h ASP 127 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2jjk h ASP 127 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2jjk n LEU 129 N 1.28 -1.27 -4.56 0.00 4.77 0.03 -4.98 117.00 112.27 2jjk n LEU 129 Ca 0.24 0.31 -0.37 0.00 -0.03 0.00 0.00 56.01 56.15 2jjk n LEU 129 Cb 0.71 -2.31 0.05 0.00 -2.33 0.00 0.00 43.42 39.54 2jjk n LEU 129 CO 0.18 -0.70 0.35 0.55 -1.33 0.00 0.00 177.39 176.44 2jjk n VAL 130 N -2.83 3.10 -1.70 4.08 3.14 -1.26 -4.90 118.33 117.95 2jjk n VAL 130 Ca -0.16 -0.49 -0.43 0.00 -2.96 0.00 0.00 64.34 60.30 2jjk n VAL 130 Cb 0.55 -0.96 -0.02 0.00 -1.06 0.00 0.00 33.84 32.34 2jjk n VAL 130 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2jjk n SER 131 N -0.42 3.28 -3.72 6.55 7.64 -1.26 -4.88 113.62 120.81 2jjk n SER 131 Ca 0.13 1.14 -0.23 0.00 1.01 0.00 0.00 58.87 60.92 2jjk n SER 131 Cb 0.48 -1.50 -0.06 0.00 -1.01 0.00 0.00 64.21 62.12 2jjk n SER 131 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2jjk n VAL 132 N 2.18 0.00 -3.75 0.44 0.24 -1.09 -4.75 118.33 111.60 2jjk n VAL 132 Ca 0.11 -1.94 0.01 0.00 -2.04 0.00 0.00 64.34 60.47 2jjk n VAL 132 Cb 0.34 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 2jjk n VAL 132 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2jjk s GLY 133 N -3.13 -0.27 -0.06 7.63 0.00 -0.84 -1.33 107.32 109.33 2jjk s GLY 133 Ca 0.10 0.35 0.03 0.00 0.00 0.00 0.00 44.72 45.21 2jjk s GLY 133 CO 0.07 1.56 -0.16 -1.59 0.00 0.00 0.00 173.10 172.99 2jjk s THR 134 N -2.42 1.37 0.06 0.90 2.01 -0.05 0.91 115.64 118.42 2jjk s THR 134 Ca 0.18 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.62 2jjk s THR 134 Cb 0.02 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 2jjk s THR 134 CO -0.01 0.40 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.45 2jjk s ILE 135 N 0.35 1.92 0.04 1.82 1.01 -0.07 0.24 121.20 126.51 2jjk s ILE 135 Ca -0.10 -1.38 -0.16 0.00 0.00 0.00 0.00 60.65 59.01 2jjk s ILE 135 Cb -0.14 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.68 2jjk s ILE 135 CO 0.04 0.22 0.35 0.72 0.00 0.00 0.00 174.94 176.27 2jjk s PHE 136 N -0.88 -0.18 -0.10 3.97 -0.12 0.16 -0.93 117.98 119.90 2jjk s PHE 136 Ca 0.10 0.10 -0.07 0.00 -0.05 0.00 0.00 56.93 57.02 2jjk s PHE 136 Cb -0.10 0.15 0.03 0.00 -0.63 0.00 0.00 43.02 42.48 2jjk s PHE 136 CO 0.03 -0.52 0.24 0.20 -0.05 0.00 0.00 175.22 175.11 2jjk s GLY 137 N -1.98 -0.16 -0.06 1.99 0.00 0.47 -0.77 107.32 106.82 2jjk s GLY 137 Ca -0.06 0.83 0.06 0.00 0.00 0.00 0.00 44.72 45.55 2jjk s GLY 137 CO -0.02 0.92 -0.24 -0.42 0.00 0.00 0.00 173.10 173.34 2jjk s ILE 138 N 0.71 2.12 0.17 0.90 1.01 0.64 -1.35 121.20 125.40 2jjk s ILE 138 Ca -0.05 -1.04 0.08 0.00 0.00 0.00 0.00 60.65 59.63 2jjk s ILE 138 Cb -0.06 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 2jjk s ILE 138 CO -0.04 0.57 -0.16 -0.31 0.00 0.00 0.00 174.94 175.00 2jjk s TYR 139 N -0.17 1.67 0.01 3.97 2.02 0.36 -0.67 117.35 124.54 2jjk s TYR 139 Ca -0.03 -0.54 -0.21 0.00 -0.37 0.00 0.00 57.07 55.92 2jjk s TYR 139 Cb -0.14 -0.82 -0.05 0.00 -0.40 0.00 0.00 41.96 40.55 2jjk s TYR 139 CO 0.04 0.29 0.61 1.03 -1.57 0.00 0.00 175.55 175.95 2jjk s ARG 140 N -3.12 4.33 0.09 -0.62 0.52 -1.26 0.64 118.95 119.52 2jjk s ARG 140 Ca 0.17 0.77 -0.31 0.00 -0.52 0.00 0.00 55.73 55.83 2jjk s ARG 140 Cb -0.03 -3.34 -0.11 0.00 0.52 0.00 0.00 34.95 31.99 2jjk s ARG 140 CO 0.06 0.38 1.86 1.17 0.02 0.00 0.00 175.30 178.78 2jjk n LYS 141 N 2.67 2.72 -0.07 3.54 4.81 -0.35 -4.83 118.16 126.66 2jjk n LYS 141 Ca -0.07 0.99 -0.20 0.00 -0.87 0.00 0.00 58.31 58.17 2jjk n LYS 141 Cb 0.51 -2.89 -0.13 0.00 0.02 0.00 0.00 35.03 32.54 2jjk n LYS 141 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2jjk h LYS 142 N 8.90 0.06 -7.31 1.64 1.57 -1.91 -3.48 116.57 116.05 2jjk h LYS 142 Ca -0.47 -0.11 -0.52 0.00 -1.87 0.00 0.00 60.65 57.68 2jjk h LYS 142 Cb 1.23 0.04 0.14 0.00 0.08 0.00 0.00 32.23 33.72 2jjk h LYS 142 CO 0.94 1.05 0.30 -1.54 -0.57 0.00 0.00 179.45 179.64 2jjk s SER 143 N -6.72 4.28 0.00 0.86 1.04 -1.26 -4.95 113.70 106.94 2jjk s SER 143 Ca -0.24 1.88 0.24 0.00 0.48 0.00 0.00 55.95 58.31 2jjk s SER 143 Cb 0.03 -2.53 0.38 0.00 0.10 0.00 0.00 66.02 64.00 2jjk s SER 143 CO 0.66 -2.19 1.32 0.41 0.98 0.00 0.00 173.24 174.43 2jjk n THR 144 N -3.62 0.00 -0.62 2.02 -1.04 -1.26 -4.96 114.28 104.80 2jjk n THR 144 Ca 0.09 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.78 2jjk n THR 144 Cb 0.53 0.41 0.20 0.00 -1.82 0.00 0.00 70.33 69.65 2jjk n THR 144 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2jjk n ASP 145 N -1.42 -1.91 -4.76 8.00 9.92 -1.26 -4.93 116.55 120.18 2jjk n ASP 145 Ca 0.06 -0.04 -0.39 0.00 -0.53 0.00 0.00 54.79 53.89 2jjk n ASP 145 Cb 0.34 -1.14 0.01 0.00 -0.64 0.00 0.00 41.12 39.69 2jjk n ASP 145 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2jjk s GLU 146 N -3.89 3.70 0.45 -1.24 2.12 -1.26 -4.91 118.70 113.66 2jjk s GLU 146 Ca 0.61 2.22 -0.25 0.00 0.36 0.00 0.00 54.97 57.92 2jjk s GLU 146 Cb -0.19 -2.60 -0.09 0.00 0.26 0.00 0.00 34.13 31.52 2jjk s GLU 146 CO 0.65 -0.74 1.30 -0.35 -0.54 0.00 0.00 175.26 175.59 2jjk n PRO 147 N -0.26 1.93 -2.73 4.30 -0.04 -1.26 -4.97 135.00 131.97 2jjk n PRO 147 Ca 0.06 0.69 -0.06 0.00 -0.04 0.00 0.00 63.50 64.15 2jjk n PRO 147 Cb 0.44 -2.44 0.01 0.00 -0.04 0.00 0.00 33.50 31.47 2jjk n PRO 147 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jjk n SER 148 N -0.02 -1.32 0.27 3.54 3.41 -1.26 -5.03 113.62 113.21 2jjk n SER 148 Ca 0.07 -1.99 0.15 0.00 -0.26 0.00 0.00 58.87 56.84 2jjk n SER 148 Cb 0.41 2.22 0.67 0.00 -0.26 0.00 0.00 64.21 67.24 2jjk n SER 148 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2jjk h GLU 149 N 0.00 0.00 0.00 4.33 4.81 -1.93 -2.85 114.58 118.94 2jjk h GLU 149 Ca -0.20 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 2jjk h GLU 149 Cb 0.75 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 2jjk h GLU 149 CO 0.25 0.07 -0.16 0.87 -0.73 0.00 0.00 179.01 179.32 2jjk h LYS 150 N 0.00 0.00 0.00 1.92 1.57 -1.96 -2.56 116.57 115.53 2jjk h LYS 150 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jjk h LYS 150 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2jjk h LYS 150 CO 0.01 0.16 0.00 -0.25 -0.57 0.00 0.00 179.45 178.80 2jjk n ASP 151 N -4.33 0.22 -0.09 0.86 8.00 -1.07 -1.25 116.55 118.88 2jjk n ASP 151 Ca -0.03 0.54 0.12 0.00 0.71 0.00 0.00 54.79 56.13 2jjk n ASP 151 Cb 0.22 -0.59 0.22 0.00 -0.02 0.00 0.00 41.12 40.95 2jjk n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jjk n ALA 152 N -1.58 3.60 -2.43 2.24 0.00 -0.96 -4.57 120.51 116.79 2jjk n ALA 152 Ca 0.04 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 2jjk n ALA 152 Cb 0.25 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.66 2jjk n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jjk n LEU 153 N -1.19 7.46 -4.53 0.00 4.77 -0.38 -4.92 117.00 118.21 2jjk n LEU 153 Ca 0.07 -5.15 -0.31 0.00 -0.03 0.00 0.00 56.01 50.59 2jjk n LEU 153 Cb 0.35 -1.27 -0.11 0.00 -2.33 0.00 0.00 43.42 40.06 2jjk n LEU 153 CO 0.33 1.97 -0.44 -1.10 -1.33 0.00 0.00 177.39 176.83 2jjk s GLN 154 N -2.76 2.28 0.59 3.23 -0.21 -1.26 -4.67 119.66 116.86 2jjk s GLN 154 Ca 0.43 -0.88 -0.17 0.00 0.02 0.00 0.00 55.36 54.76 2jjk s GLN 154 Cb 0.17 -2.34 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 2jjk s GLN 154 CO -0.08 0.56 1.09 -1.25 -2.12 0.00 0.00 175.29 173.49 2jjk s PRO 155 N -1.55 3.20 0.63 2.91 0.04 -1.26 -4.59 135.00 134.38 2jjk s PRO 155 Ca 0.17 1.41 0.37 0.00 0.04 0.00 0.00 61.00 62.99 2jjk s PRO 155 Cb -0.11 -2.00 2.12 0.00 0.04 0.00 0.00 34.50 34.55 2jjk s PRO 155 CO 0.08 -0.93 2.30 0.78 0.04 0.00 0.00 177.00 179.26 2jjk h GLY 156 N 0.64 0.00 -0.31 0.56 0.00 -1.69 -1.42 103.07 100.86 2jjk h GLY 156 Ca -0.48 0.00 0.30 0.00 0.00 0.00 0.00 47.33 47.15 2jjk h GLY 156 CO 0.56 0.00 0.70 3.21 0.00 0.00 0.00 176.54 181.01 2jjk h ARG 157 N 0.00 0.32 0.00 4.80 2.47 -1.59 -0.74 114.38 119.64 2jjk h ARG 157 Ca 0.01 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2jjk h ARG 157 Cb 0.06 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 2jjk h ARG 157 CO -0.00 0.21 0.00 0.09 0.56 0.00 0.00 179.97 180.83 2jjk n ASN 158 N -4.65 0.00 -4.75 7.04 4.13 -0.53 -4.90 115.26 111.60 2jjk n ASN 158 Ca 0.27 -1.69 -0.41 0.00 1.68 0.00 0.00 54.58 54.44 2jjk n ASN 158 Cb 0.98 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 39.19 2jjk n ASN 158 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2jjk s LEU 159 N -1.07 4.45 -0.05 3.41 1.43 -0.29 -4.61 118.68 121.95 2jjk s LEU 159 Ca 0.03 2.43 -0.05 0.00 -1.03 0.00 0.00 54.13 55.52 2jjk s LEU 159 Cb 0.01 -3.62 -0.28 0.00 0.03 0.00 0.00 46.19 42.33 2jjk s LEU 159 CO 0.02 -0.44 0.66 0.58 0.23 0.00 0.00 176.35 177.40 2jjk h VAL 160 N 3.45 0.93 -1.88 -1.59 2.07 -1.24 -3.48 116.25 114.50 2jjk h VAL 160 Ca -0.46 -2.59 0.01 0.00 0.82 0.00 0.00 66.70 64.48 2jjk h VAL 160 Cb 1.22 2.66 -0.20 0.00 -1.52 0.00 0.00 31.29 33.45 2jjk h VAL 160 CO 0.72 0.82 0.36 0.00 0.02 0.00 0.00 177.57 179.49 2jjk s ALA 161 N -2.59 -1.83 0.20 1.67 0.00 -1.21 -4.31 121.76 113.69 2jjk s ALA 161 Ca -0.14 1.37 -0.16 0.00 0.00 0.00 0.00 51.96 53.03 2jjk s ALA 161 Cb 0.06 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.97 2jjk s ALA 161 CO 0.83 -0.38 0.50 0.00 0.00 0.00 0.00 175.76 176.71 2jjk s ALA 162 N -1.40 -0.78 0.00 0.00 0.00 -0.44 -0.26 121.76 118.87 2jjk s ALA 162 Ca -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2jjk s ALA 162 Cb -0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.99 2jjk s ALA 162 CO 0.04 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2jjk n GLY 163 N -0.33 -0.73 3.27 0.00 0.00 0.05 -1.40 105.19 106.05 2jjk n GLY 163 Ca -0.09 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2jjk n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jjk s TYR 164 N -3.00 -0.08 -0.16 1.61 -0.85 -0.90 -0.67 117.35 113.31 2jjk s TYR 164 Ca 0.00 -0.27 -0.03 0.00 -0.52 0.00 0.00 57.07 56.25 2jjk s TYR 164 Cb 0.00 0.14 -0.02 0.00 0.38 0.00 0.00 41.96 42.46 2jjk s TYR 164 CO 0.00 -0.64 -0.06 0.00 -1.52 0.00 0.00 175.55 173.34 2jjk s ALA 165 N -3.76 2.89 -0.32 9.51 0.00 0.14 -1.55 121.76 128.67 2jjk s ALA 165 Ca 0.03 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 2jjk s ALA 165 Cb 0.03 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 2jjk s ALA 165 CO -0.11 0.13 0.19 -1.17 0.00 0.00 0.00 175.76 174.80 2jjk s LEU 166 N 0.51 4.23 -1.04 0.00 2.96 0.71 -0.87 118.68 125.18 2jjk s LEU 166 Ca -0.05 -0.40 -0.17 0.00 -0.22 0.00 0.00 54.13 53.29 2jjk s LEU 166 Cb -0.15 -2.07 0.14 0.00 0.50 0.00 0.00 46.19 44.61 2jjk s LEU 166 CO 0.03 -0.18 1.28 -0.31 -1.32 0.00 0.00 176.35 175.85 2jjk s TYR 167 N 1.68 3.19 0.00 5.38 2.02 -0.44 -1.15 117.35 128.02 2jjk s TYR 167 Ca 0.06 -1.61 0.00 0.00 -0.37 0.00 0.00 57.07 55.15 2jjk s TYR 167 Cb -0.17 -4.34 0.00 0.00 -0.40 0.00 0.00 41.96 37.05 2jjk s TYR 167 CO 0.08 -1.51 0.00 0.41 -1.57 0.00 0.00 175.55 172.97 2jjk n GLY 168 N 5.13 3.51 0.39 0.71 0.00 -1.26 -2.66 105.19 111.01 2jjk n GLY 168 Ca 0.30 -1.29 0.18 0.00 0.00 0.00 0.00 46.02 45.21 2jjk n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jjk h SER 169 N 0.00 0.26 -4.95 1.61 4.64 -1.98 -3.41 113.55 109.72 2jjk h SER 169 Ca 0.00 0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.12 2jjk h SER 169 Cb 0.00 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 61.91 2jjk h SER 169 CO 0.00 0.13 -0.66 0.00 -0.87 0.00 0.00 176.83 175.43 2jjk s ALA 170 N -5.28 1.02 -0.19 5.18 0.00 -1.26 -5.14 121.76 116.09 2jjk s ALA 170 Ca -0.07 -1.47 -0.15 0.00 0.00 0.00 0.00 51.96 50.27 2jjk s ALA 170 Cb 0.21 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 2jjk s ALA 170 CO 0.76 -0.38 0.34 0.99 0.00 0.00 0.00 175.76 177.47 2jjk s THR 171 N -3.83 5.25 -0.01 0.00 2.01 -1.26 -4.53 115.64 113.27 2jjk s THR 171 Ca 0.20 0.61 0.05 0.00 0.31 0.00 0.00 61.69 62.87 2jjk s THR 171 Cb 0.07 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 2jjk s THR 171 CO 0.00 0.31 -0.16 -0.32 -0.69 0.00 0.00 174.62 173.76 2jjk s MET 172 N 1.00 1.30 -0.29 4.92 -2.45 -0.30 -0.72 119.30 122.77 2jjk s MET 172 Ca 0.17 -0.61 -0.06 0.00 -1.25 0.00 0.00 55.69 53.94 2jjk s MET 172 Cb -0.14 -1.27 0.01 0.00 1.25 0.00 0.00 34.83 34.68 2jjk s MET 172 CO 0.06 0.35 0.05 -1.17 1.05 0.00 0.00 175.02 175.36 2jjk s LEU 173 N -0.47 3.72 -0.36 4.11 0.20 0.44 -0.20 118.68 126.12 2jjk s LEU 173 Ca 0.06 -0.77 -0.18 0.00 0.69 0.00 0.00 54.13 53.93 2jjk s LEU 173 Cb -0.06 -1.83 0.00 0.00 -0.43 0.00 0.00 46.19 43.86 2jjk s LEU 173 CO -0.00 -0.18 0.50 -0.69 -0.29 0.00 0.00 176.35 175.69 2jjk s VAL 174 N 1.45 5.02 -0.15 1.68 1.01 -0.60 -0.32 120.40 128.50 2jjk s VAL 174 Ca 0.02 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 2jjk s VAL 174 Cb -0.17 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2jjk s VAL 174 CO 0.01 -0.25 -0.08 -0.22 0.00 0.00 0.00 175.10 174.55 2jjk s LEU 175 N 2.37 2.98 -0.11 3.92 2.96 0.46 -2.11 118.68 129.16 2jjk s LEU 175 Ca 0.18 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 2jjk s LEU 175 Cb -0.16 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.85 2jjk s LEU 175 CO 0.14 0.16 -0.15 0.00 -1.32 0.00 0.00 176.35 175.17 2jjk s ALA 176 N 0.42 1.71 0.09 5.97 0.00 -0.50 -0.24 121.76 129.21 2jjk s ALA 176 Ca -0.07 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2jjk s ALA 176 Cb -0.15 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 2jjk s ALA 176 CO 0.04 -0.08 0.07 -1.33 0.00 0.00 0.00 175.76 174.47 2jjk n MET 177 N 4.20 0.20 -0.32 0.00 2.81 -0.86 -1.33 117.12 121.82 2jjk n MET 177 Ca -0.19 -0.92 0.24 0.00 -1.81 0.00 0.00 57.70 55.03 2jjk n MET 177 Cb 0.51 0.72 0.54 0.00 -0.71 0.00 0.00 33.22 34.28 2jjk n MET 177 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2jjk h ASP 178 N 0.55 0.39 0.50 7.83 5.19 -1.93 -0.07 116.42 128.87 2jjk h ASP 178 Ca -0.07 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2jjk h ASP 178 Cb 0.33 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.85 2jjk h ASP 178 CO 0.10 0.07 0.00 0.00 -3.12 0.00 0.00 179.24 176.29 2jjk n GLY 180 N -0.00 0.12 3.51 0.00 0.00 -0.04 -4.92 105.19 103.87 2jjk n GLY 180 Ca 0.04 -2.26 -0.35 0.00 0.00 0.00 0.00 46.02 43.44 2jjk n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jjk s VAL 181 N 0.00 4.22 -0.01 1.61 1.01 -1.26 -2.02 120.40 123.94 2jjk s VAL 181 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.81 2jjk s VAL 181 Cb 0.00 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 2jjk s VAL 181 CO 0.00 0.44 -0.19 0.20 0.00 0.00 0.00 175.10 175.55 2jjk s ASN 182 N 0.77 2.18 -0.12 3.32 -0.87 0.67 0.08 114.94 120.97 2jjk s ASN 182 Ca 0.01 -0.34 0.02 0.00 -1.57 0.00 0.00 52.86 50.98 2jjk s ASN 182 Cb -0.14 -0.24 -0.01 0.00 -0.02 0.00 0.00 41.25 40.85 2jjk s ASN 182 CO 0.02 0.22 -0.19 0.00 -2.57 0.00 0.00 177.10 174.59 2jjk s PHE 184 N 0.37 1.78 -0.03 0.00 0.08 0.57 -1.02 117.98 119.73 2jjk s PHE 184 Ca -0.15 -0.98 -0.27 0.00 0.12 0.00 0.00 56.93 55.66 2jjk s PHE 184 Cb -0.17 -1.38 -0.03 0.00 -0.57 0.00 0.00 43.02 40.86 2jjk s PHE 184 CO 0.07 -0.59 0.83 1.41 -0.10 0.00 0.00 175.22 176.85 2jjk s MET 185 N 1.61 4.50 -0.16 0.44 -2.45 0.86 -0.42 119.30 123.69 2jjk s MET 185 Ca 0.04 1.14 -0.29 0.00 -1.25 0.00 0.00 55.69 55.33 2jjk s MET 185 Cb -0.13 -3.45 -0.00 0.00 1.25 0.00 0.00 34.83 32.50 2jjk s MET 185 CO -0.09 0.02 1.03 -1.17 1.05 0.00 0.00 175.02 175.86 2jjk s LEU 186 N 0.86 4.18 -0.51 4.11 2.96 0.10 0.13 118.68 130.52 2jjk s LEU 186 Ca 0.44 1.48 -0.20 0.00 -0.22 0.00 0.00 54.13 55.63 2jjk s LEU 186 Cb -0.19 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.00 2jjk s LEU 186 CO 0.23 -0.55 0.66 -0.62 -1.32 0.00 0.00 176.35 174.75 2jjk s ASP 187 N 1.17 6.24 0.52 3.68 -1.08 0.69 -4.66 116.67 123.23 2jjk s ASP 187 Ca 0.47 -0.80 0.31 0.00 -0.52 0.00 0.00 52.55 52.01 2jjk s ASP 187 Cb -0.17 -2.31 1.26 0.00 -1.46 0.00 0.00 42.92 40.24 2jjk s ASP 187 CO 0.13 -0.92 1.95 1.55 0.52 0.00 0.00 175.17 178.40 2jjk h PRO 188 N 9.02 0.00 -0.63 4.34 0.13 -1.94 0.38 132.00 143.30 2jjk h PRO 188 Ca -0.27 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.92 2jjk h PRO 188 Cb 1.09 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 2jjk h PRO 188 CO 0.97 0.07 0.42 0.00 -0.23 0.00 0.00 178.00 179.23 2jjk h ALA 189 N 1.93 1.77 0.00 -0.56 0.00 -1.97 -3.30 119.26 117.14 2jjk h ALA 189 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jjk h ALA 189 Cb 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jjk h ALA 189 CO 0.01 0.13 0.00 0.44 0.00 0.00 0.00 179.25 179.83 2jjk n ILE 190 N -4.47 0.20 -3.61 0.00 -5.35 -1.08 -5.04 119.36 100.02 2jjk n ILE 190 Ca 0.09 -0.44 -0.23 0.00 -0.27 0.00 0.00 62.75 61.90 2jjk n ILE 190 Cb 0.22 1.12 0.07 0.00 -1.74 0.00 0.00 39.64 39.31 2jjk n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jjk n GLY 191 N -0.10 -0.46 3.26 3.28 0.00 0.10 -5.01 105.19 106.26 2jjk n GLY 191 Ca 0.00 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2jjk n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jjk s GLU 192 N -6.05 1.49 -0.25 1.61 0.41 -1.16 -4.97 118.70 109.77 2jjk s GLU 192 Ca 0.37 -0.94 -0.17 0.00 -0.41 0.00 0.00 54.97 53.83 2jjk s GLU 192 Cb -0.17 -1.59 -0.03 0.00 -1.78 0.00 0.00 34.13 30.56 2jjk s GLU 192 CO 0.75 0.41 0.48 -0.06 -0.49 0.00 0.00 175.26 176.35 2jjk s PHE 193 N -0.76 3.28 -0.18 1.61 0.08 -1.26 -0.22 117.98 120.53 2jjk s PHE 193 Ca 0.08 0.60 -0.05 0.00 0.12 0.00 0.00 56.93 57.68 2jjk s PHE 193 Cb -0.09 -2.67 -0.03 0.00 -0.57 0.00 0.00 43.02 39.66 2jjk s PHE 193 CO 0.01 -0.23 -0.01 0.42 -0.10 0.00 0.00 175.22 175.31 2jjk s ILE 194 N 2.12 4.00 -0.09 0.64 -1.09 0.12 -0.16 121.20 126.75 2jjk s ILE 194 Ca 0.20 -0.30 -0.30 0.00 -2.23 0.00 0.00 60.65 58.02 2jjk s ILE 194 Cb -0.16 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 2jjk s ILE 194 CO 0.09 0.45 1.56 -0.22 -1.23 0.00 0.00 174.94 175.59 2jjk s LEU 195 N 0.72 4.26 0.00 2.97 2.96 0.32 -0.10 118.68 129.81 2jjk s LEU 195 Ca -0.00 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 2jjk s LEU 195 Cb -0.14 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.01 2jjk s LEU 195 CO 0.02 -0.91 0.00 1.33 -1.32 0.00 0.00 176.35 175.48 2jjk n VAL 196 N 5.51 0.00 -3.91 1.68 0.24 -0.19 -4.78 118.33 116.88 2jjk n VAL 196 Ca 0.17 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.19 2jjk n VAL 196 Cb 0.43 -0.98 -0.17 0.00 -1.47 0.00 0.00 33.84 31.66 2jjk n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2jjk s ASP 197 N -3.04 2.40 0.02 -1.34 1.01 -1.09 -5.03 116.67 109.60 2jjk s ASP 197 Ca 0.00 -0.42 0.01 0.00 0.71 0.00 0.00 52.55 52.85 2jjk s ASP 197 Cb 0.00 -0.88 -0.04 0.00 1.01 0.00 0.00 42.92 43.01 2jjk s ASP 197 CO 0.00 -0.13 0.05 -0.54 0.21 0.00 0.00 175.17 174.76 2jjk s LYS 198 N 1.68 2.92 -1.17 8.23 1.02 -1.26 -1.32 119.74 129.84 2jjk s LYS 198 Ca 0.04 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 2jjk s LYS 198 Cb -0.13 -2.76 0.04 0.00 -0.52 0.00 0.00 37.83 34.45 2jjk s LYS 198 CO -0.08 0.62 0.69 -3.47 -0.92 0.00 0.00 175.35 172.18 2jjk n ASP 199 N 1.04 -4.34 -4.73 2.83 -0.08 -0.85 -4.82 116.55 105.61 2jjk n ASP 199 Ca -0.12 -1.24 -0.41 0.00 -1.51 0.00 0.00 54.79 51.50 2jjk n ASP 199 Cb 0.52 -1.81 -0.04 0.00 2.34 0.00 0.00 41.12 42.13 2jjk n ASP 199 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2jjk s VAL 200 N -3.46 4.34 0.02 5.18 1.01 0.11 -4.82 120.40 122.79 2jjk s VAL 200 Ca 0.44 1.89 0.08 0.00 0.00 0.00 0.00 61.98 64.38 2jjk s VAL 200 Cb -0.24 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2jjk s VAL 200 CO 0.96 0.26 -0.24 -0.54 0.00 0.00 0.00 175.10 175.54 2jjk s LYS 201 N 0.17 1.72 0.46 2.72 -0.14 -1.26 -4.26 119.74 119.15 2jjk s LYS 201 Ca 0.50 -0.95 -0.15 0.00 -1.36 0.00 0.00 55.97 54.00 2jjk s LYS 201 Cb -0.25 -1.78 -0.08 0.00 -1.68 0.00 0.00 37.83 34.04 2jjk s LYS 201 CO 0.31 0.47 0.90 -1.50 -0.76 0.00 0.00 175.35 174.76 2jjk s ILE 202 N -0.70 4.62 0.47 2.17 2.07 0.53 -4.99 121.20 125.36 2jjk s ILE 202 Ca 0.09 1.02 -0.23 0.00 -1.41 0.00 0.00 60.65 60.12 2jjk s ILE 202 Cb -0.09 -3.71 -0.09 0.00 0.13 0.00 0.00 42.46 38.70 2jjk s ILE 202 CO 0.01 -0.58 1.12 0.29 -1.91 0.00 0.00 174.94 173.87 2jjk n LYS 203 N -1.34 1.48 -0.19 3.50 5.02 -1.26 -4.88 118.16 120.49 2jjk n LYS 203 Ca 0.05 0.54 -0.04 0.00 -2.02 0.00 0.00 58.31 56.84 2jjk n LYS 203 Cb 0.54 -2.23 0.14 0.00 -0.02 0.00 0.00 35.03 33.47 2jjk n LYS 203 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2jjk h LYS 204 N 1.50 0.96 -3.42 1.97 3.64 -1.96 -3.38 116.57 115.89 2jjk h LYS 204 Ca -0.47 -0.19 -0.24 0.00 -1.27 0.00 0.00 60.65 58.48 2jjk h LYS 204 Cb 1.33 -0.15 -0.30 0.00 -0.41 0.00 0.00 32.23 32.69 2jjk h LYS 204 CO 0.57 0.83 -0.64 0.21 -2.27 0.00 0.00 179.45 178.15 2jjk s LYS 205 N -5.32 0.07 0.19 1.90 2.20 -1.26 -1.21 119.74 116.31 2jjk s LYS 205 Ca -0.11 0.23 0.02 0.00 -0.36 0.00 0.00 55.97 55.75 2jjk s LYS 205 Cb 0.15 -0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.39 2jjk s LYS 205 CO 0.82 -0.11 0.15 0.41 -0.36 0.00 0.00 175.35 176.26 2jjk n GLY 206 N 3.75 2.91 0.33 5.54 0.00 -1.26 -4.77 105.19 111.69 2jjk n GLY 206 Ca -0.21 -2.21 0.02 0.00 0.00 0.00 0.00 46.02 43.62 2jjk n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jjk n LYS 207 N -0.97 0.43 -4.12 1.61 5.02 -1.26 -4.71 118.16 114.15 2jjk n LYS 207 Ca -0.01 -1.36 -0.15 0.00 -2.02 0.00 0.00 58.31 54.78 2jjk n LYS 207 Cb 0.22 -0.77 -0.13 0.00 -0.02 0.00 0.00 35.03 34.34 2jjk n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jjk s ILE 208 N -0.75 0.55 0.08 -0.18 1.01 -1.26 -0.90 121.20 119.75 2jjk s ILE 208 Ca 0.08 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.03 2jjk s ILE 208 Cb 0.07 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 2jjk s ILE 208 CO 0.01 -0.17 -0.18 -0.72 0.00 0.00 0.00 174.94 173.87 2jjk s TYR 209 N -0.88 1.58 -0.07 3.97 1.13 -0.70 -2.04 117.35 120.35 2jjk s TYR 209 Ca -0.05 -0.42 -0.02 0.00 -1.41 0.00 0.00 57.07 55.17 2jjk s TYR 209 Cb -0.07 -0.89 0.04 0.00 -1.10 0.00 0.00 41.96 39.94 2jjk s TYR 209 CO 0.00 0.14 0.06 0.45 -2.51 0.00 0.00 175.55 173.69 2jjk s SER 210 N -1.70 1.39 -0.02 -0.18 0.15 0.69 -2.54 113.70 111.49 2jjk s SER 210 Ca 0.04 -0.06 -0.30 0.00 0.70 0.00 0.00 55.95 56.34 2jjk s SER 210 Cb -0.10 -0.18 0.11 0.00 -1.71 0.00 0.00 66.02 64.14 2jjk s SER 210 CO 0.03 -0.26 1.05 -1.48 1.20 0.00 0.00 173.24 173.77 2jjk s LEU 211 N 2.15 -0.22 -0.97 3.45 2.34 -1.26 0.11 118.68 124.29 2jjk s LEU 211 Ca 0.04 -0.12 -0.24 0.00 0.06 0.00 0.00 54.13 53.88 2jjk s LEU 211 Cb -0.13 1.79 0.04 0.00 -0.56 0.00 0.00 46.19 47.34 2jjk s LEU 211 CO -0.04 -0.54 1.47 0.21 -1.06 0.00 0.00 176.35 176.39 2jjk s ASN 212 N -2.60 6.33 0.59 1.48 3.84 -1.26 -4.81 114.94 118.51 2jjk s ASN 212 Ca 0.09 -1.24 0.36 0.00 0.21 0.00 0.00 52.86 52.29 2jjk s ASN 212 Cb -0.00 -2.57 1.77 0.00 -0.55 0.00 0.00 41.25 39.91 2jjk s ASN 212 CO -0.05 -1.66 2.15 -0.33 -2.79 0.00 0.00 177.10 174.42 2jjk h GLU 213 N 10.01 0.00 -0.05 0.43 5.08 -1.99 -3.10 114.58 124.97 2jjk h GLU 213 Ca 0.12 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2jjk h GLU 213 Cb 1.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 2jjk h GLU 213 CO 1.39 0.03 0.11 0.78 -1.00 0.00 0.00 179.01 180.32 2jjk h GLY 214 N 1.04 0.00 -3.98 -3.84 0.00 -2.06 -0.39 103.07 93.83 2jjk h GLY 214 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 2jjk h GLY 214 CO 0.00 0.00 0.77 -1.72 0.00 0.00 0.00 176.54 175.59 2jjk n TYR 215 N -3.38 3.15 -0.34 5.60 4.01 -1.17 -4.67 117.16 120.36 2jjk n TYR 215 Ca -0.02 -2.53 0.06 0.00 -0.16 0.00 0.00 57.90 55.25 2jjk n TYR 215 Cb 0.19 -1.23 0.22 0.00 -0.31 0.00 0.00 39.34 38.20 2jjk n TYR 215 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jjk h ALA 216 N 1.58 1.40 0.00 -0.72 0.00 -1.30 -2.08 119.26 118.14 2jjk h ALA 216 Ca 0.62 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 2jjk h ALA 216 Cb 1.68 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2jjk h ALA 216 CO 1.38 0.18 -0.00 1.57 0.00 0.00 0.00 179.25 182.38 2jjk h LYS 217 N 0.93 0.00 -0.26 0.00 2.10 -1.86 0.10 116.57 117.58 2jjk h LYS 217 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 2jjk h LYS 217 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2jjk h LYS 217 CO -0.26 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.94 2jjk n ASP 218 N -3.38 3.24 -4.74 7.07 8.00 -0.79 -5.01 116.55 120.94 2jjk n ASP 218 Ca -0.03 -1.97 -0.39 0.00 0.71 0.00 0.00 54.79 53.11 2jjk n ASP 218 Cb 0.08 -0.16 0.03 0.00 -0.02 0.00 0.00 41.12 41.05 2jjk n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jjk n PHE 219 N 1.39 2.36 -1.92 1.24 3.01 0.36 -4.30 117.46 119.59 2jjk n PHE 219 Ca 0.17 0.44 -0.41 0.00 1.01 0.00 0.00 57.45 58.66 2jjk n PHE 219 Cb 0.58 -2.39 -0.02 0.00 -0.01 0.00 0.00 39.48 37.65 2jjk n PHE 219 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2jjk s ASP 220 N -0.74 6.53 0.60 4.37 -1.08 -1.26 -4.83 116.67 120.26 2jjk s ASP 220 Ca 0.67 2.82 0.30 0.00 -0.52 0.00 0.00 52.55 55.82 2jjk s ASP 220 Cb -0.44 -2.64 1.65 0.00 -1.46 0.00 0.00 42.92 40.03 2jjk s ASP 220 CO 0.53 -0.77 2.04 -0.65 0.52 0.00 0.00 175.17 176.84 2jjk h PRO 221 N 4.40 0.00 -0.15 4.34 0.11 -1.97 0.35 132.00 139.07 2jjk h PRO 221 Ca -0.48 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 2jjk h PRO 221 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2jjk h PRO 221 CO 0.74 0.00 -0.36 0.00 -0.21 0.00 0.00 178.00 178.17 2jjk h ALA 222 N 1.65 0.25 -0.43 -0.75 0.00 -1.90 -1.90 119.26 116.18 2jjk h ALA 222 Ca 0.10 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 2jjk h ALA 222 Cb 0.66 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2jjk h ALA 222 CO -0.00 0.32 -0.30 0.28 0.00 0.00 0.00 179.25 179.55 2jjk h VAL 223 N 0.15 1.27 -0.38 0.00 2.07 -1.09 -1.49 116.25 116.78 2jjk h VAL 223 Ca -0.00 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 66.08 2jjk h VAL 223 Cb 0.97 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2jjk h VAL 223 CO 0.08 0.50 0.17 0.74 0.02 0.00 0.00 177.57 179.08 2jjk h THR 224 N 0.80 0.95 -0.46 2.57 2.02 -0.51 -1.38 112.91 116.90 2jjk h THR 224 Ca 0.08 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2jjk h THR 224 Cb 0.89 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2jjk h THR 224 CO 0.08 0.06 0.17 -0.08 0.37 0.00 0.00 175.52 176.13 2jjk h GLU 225 N 0.35 0.69 -0.36 6.66 4.81 -1.18 -1.50 114.58 124.05 2jjk h GLU 225 Ca 0.16 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2jjk h GLU 225 Cb 0.10 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2jjk h GLU 225 CO -0.13 0.64 0.19 -0.92 -0.73 0.00 0.00 179.01 178.05 2jjk h TYR 226 N 0.60 0.50 -0.54 0.92 3.20 -1.03 -1.00 116.97 119.63 2jjk h TYR 226 Ca 0.15 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 2jjk h TYR 226 Cb 0.22 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2jjk h TYR 226 CO 0.01 0.41 0.05 0.82 -1.64 0.00 0.00 178.16 177.81 2jjk h ILE 227 N 0.45 1.25 -0.87 1.81 1.08 -1.18 -0.89 117.51 119.15 2jjk h ILE 227 Ca 0.13 -0.98 0.03 0.00 -0.39 0.00 0.00 64.86 63.65 2jjk h ILE 227 Cb 0.08 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 2jjk h ILE 227 CO -0.02 0.36 0.57 1.56 -0.69 0.00 0.00 178.15 179.93 2jjk h GLN 228 N 0.83 1.06 -0.40 2.37 1.08 -0.90 -0.27 115.11 118.88 2jjk h GLN 228 Ca 0.17 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.24 2jjk h GLN 228 Cb 0.42 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2jjk h GLN 228 CO 0.01 0.70 0.01 0.00 -0.95 0.00 0.00 178.83 178.60 2jjk h ARG 229 N 1.09 0.64 -0.16 1.46 3.08 0.13 0.35 114.38 120.97 2jjk h ARG 229 Ca 0.34 -0.15 -0.19 0.00 0.07 0.00 0.00 59.98 60.06 2jjk h ARG 229 Cb 0.01 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2jjk h ARG 229 CO -0.10 0.65 -0.67 0.87 -1.07 0.00 0.00 179.97 179.65 2jjk h LYS 230 N 0.61 0.63 0.00 0.04 1.79 -0.57 -2.80 116.57 116.27 2jjk h LYS 230 Ca 0.13 -0.46 -0.20 0.00 -2.18 0.00 0.00 60.65 57.94 2jjk h LYS 230 Cb 0.37 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.07 2jjk h LYS 230 CO 0.01 1.08 -1.25 0.87 -1.08 0.00 0.00 179.45 179.09 2jjk h LYS 231 N 0.45 0.00 -2.27 3.15 1.57 -0.77 -1.65 116.57 117.05 2jjk h LYS 231 Ca -0.02 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.18 2jjk h LYS 231 Cb 1.26 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.18 2jjk h LYS 231 CO 0.13 0.51 -0.98 1.19 -0.57 0.00 0.00 179.45 179.74 2jjk n PHE 232 N -3.08 -0.17 -1.75 -1.35 3.72 0.12 -4.80 117.46 110.15 2jjk n PHE 232 Ca -0.08 -3.52 -0.41 0.00 -0.05 0.00 0.00 57.45 53.39 2jjk n PHE 232 Cb 0.90 -0.07 -0.01 0.00 -0.94 0.00 0.00 39.48 39.35 2jjk n PHE 232 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2jjk n PRO 233 N 2.13 2.74 0.00 -1.08 -0.02 -1.06 -4.52 135.00 133.19 2jjk n PRO 233 Ca 0.26 0.97 0.12 0.00 -2.02 0.00 0.00 63.50 62.83 2jjk n PRO 233 Cb 0.49 -2.75 0.58 0.00 -0.02 0.00 0.00 33.50 31.79 2jjk n PRO 233 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jjk n PRO 234 N 1.87 0.24 -0.09 0.52 -0.04 -1.26 -4.23 135.00 132.01 2jjk n PRO 234 Ca 0.07 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 2jjk n PRO 234 Cb 0.37 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.44 2jjk n PRO 234 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2jjk n ASP 235 N -1.35 2.42 0.00 3.54 5.75 -1.26 -4.98 116.55 120.66 2jjk n ASP 235 Ca 0.10 -2.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.17 2jjk n ASP 235 Cb 0.22 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 2jjk n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jjk n ASN 236 N -0.98 -0.68 -4.84 -1.12 3.02 -1.26 -5.03 115.26 104.36 2jjk n ASN 236 Ca 0.12 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.36 2jjk n ASN 236 Cb 0.54 -0.55 0.04 0.00 -0.61 0.00 0.00 39.78 39.20 2jjk n ASN 236 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2jjk s SER 237 N -2.67 5.55 0.31 6.41 1.04 -1.26 -5.02 113.70 118.06 2jjk s SER 237 Ca 0.00 1.44 -0.29 0.00 0.48 0.00 0.00 55.95 57.58 2jjk s SER 237 Cb 0.00 -2.34 -0.10 0.00 0.10 0.00 0.00 66.02 63.67 2jjk s SER 237 CO 0.00 -1.31 1.34 0.00 0.98 0.00 0.00 173.24 174.26 2jjk s ALA 238 N -3.15 3.53 0.66 5.32 0.00 -1.26 -4.70 121.76 122.16 2jjk s ALA 238 Ca 0.57 1.28 -0.16 0.00 0.00 0.00 0.00 51.96 53.65 2jjk s ALA 238 Cb -0.13 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2jjk s ALA 238 CO 0.54 -0.68 1.18 -2.14 0.00 0.00 0.00 175.76 174.66 2jjk s PRO 239 N -1.43 2.62 0.60 0.00 0.02 -1.26 -4.94 135.00 130.60 2jjk s PRO 239 Ca 0.52 1.69 -0.16 0.00 0.02 0.00 0.00 61.00 63.07 2jjk s PRO 239 Cb -0.40 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 2jjk s PRO 239 CO 0.51 -1.45 1.06 0.71 -0.33 0.00 0.00 177.00 177.49 2jjk s TYR 240 N -1.93 2.99 0.52 6.54 1.51 -0.62 -5.03 117.35 121.33 2jjk s TYR 240 Ca 0.74 1.51 -0.11 0.00 -1.01 0.00 0.00 57.07 58.20 2jjk s TYR 240 Cb -0.27 -3.01 -0.05 0.00 -0.11 0.00 0.00 41.96 38.52 2jjk s TYR 240 CO 0.40 -1.12 0.91 0.20 -1.11 0.00 0.00 175.55 174.83 2jjk s GLY 241 N -2.80 1.77 0.01 0.71 0.00 -0.08 -4.85 107.32 102.08 2jjk s GLY 241 Ca 0.63 -0.15 0.03 0.00 0.00 0.00 0.00 44.72 45.24 2jjk s GLY 241 CO 0.37 0.09 -0.04 0.00 0.00 0.00 0.00 173.10 173.52 2jjk s ALA 242 N -2.80 3.12 -0.10 3.20 0.00 -1.26 -1.72 121.76 122.21 2jjk s ALA 242 Ca 0.53 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 2jjk s ALA 242 Cb -0.10 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.86 2jjk s ALA 242 CO 0.42 0.63 0.24 1.03 0.00 0.00 0.00 175.76 178.09 2jjk s ARG 243 N -1.53 0.22 -0.23 0.00 1.81 -1.05 -4.94 118.95 113.22 2jjk s ARG 243 Ca 0.18 0.48 -0.03 0.00 -1.72 0.00 0.00 55.73 54.64 2jjk s ARG 243 Cb -0.11 -0.06 0.11 0.00 -0.45 0.00 0.00 34.95 34.44 2jjk s ARG 243 CO 0.09 -0.13 0.27 -0.47 -0.68 0.00 0.00 175.30 174.38 2jjk s TYR 244 N 0.97 -0.42 0.10 -0.53 5.04 -1.26 -4.11 117.35 117.14 2jjk s TYR 244 Ca -0.07 0.25 -0.10 0.00 -2.44 0.00 0.00 57.07 54.71 2jjk s TYR 244 Cb -0.08 -0.31 -0.16 0.00 0.35 0.00 0.00 41.96 41.76 2jjk s TYR 244 CO -0.06 -0.70 1.26 0.28 -1.34 0.00 0.00 175.55 174.99 2jjk h VAL 245 N 6.28 1.31 0.00 3.14 2.07 -1.96 -3.47 116.25 123.61 2jjk h VAL 245 Ca -0.17 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2jjk h VAL 245 Cb 1.14 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2jjk h VAL 245 CO 0.29 0.68 0.00 0.61 0.02 0.00 0.00 177.57 179.18 2jjk n GLY 246 N 0.92 0.62 2.90 2.17 0.00 -1.26 -5.03 105.19 105.51 2jjk n GLY 246 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2jjk n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jjk s SER 247 N -2.77 3.80 0.32 1.61 0.15 -1.26 -4.95 113.70 110.60 2jjk s SER 247 Ca 0.00 -1.22 0.10 0.00 0.70 0.00 0.00 55.95 55.52 2jjk s SER 247 Cb 0.00 -1.11 0.91 0.00 -1.71 0.00 0.00 66.02 64.11 2jjk s SER 247 CO 0.00 -0.27 1.70 -0.03 1.20 0.00 0.00 173.24 175.84 2jjk h MET 248 N 7.98 0.44 -0.37 5.44 4.05 -1.91 -1.11 114.93 129.45 2jjk h MET 248 Ca -0.17 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.11 2jjk h MET 248 Cb 1.07 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.76 2jjk h MET 248 CO 0.41 0.29 -0.23 0.28 0.23 0.00 0.00 176.91 177.89 2jjk h VAL 249 N 0.45 1.28 -0.34 -5.77 2.07 -1.92 -0.56 116.25 111.47 2jjk h VAL 249 Ca 0.65 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2jjk h VAL 249 Cb 1.33 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2jjk h VAL 249 CO -0.54 0.46 0.21 0.00 0.02 0.00 0.00 177.57 177.72 2jjk h ALA 250 N 0.78 0.43 -0.37 1.67 0.00 -1.52 -0.93 119.26 119.31 2jjk h ALA 250 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2jjk h ALA 250 Cb 0.79 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jjk h ALA 250 CO 0.06 -0.08 -0.34 -0.44 0.00 0.00 0.00 179.25 178.46 2jjk h ASP 251 N 0.44 0.94 -0.40 0.00 3.32 -1.31 -1.15 116.42 118.26 2jjk h ASP 251 Ca 0.12 -0.46 -0.12 0.00 0.02 0.00 0.00 57.03 56.60 2jjk h ASP 251 Cb -0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 2jjk h ASP 251 CO -0.02 1.20 -0.18 0.58 -1.72 0.00 0.00 179.24 179.10 2jjk h VAL 252 N 0.69 1.27 -0.49 -1.35 2.07 -1.09 0.30 116.25 117.65 2jjk h VAL 252 Ca 0.06 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 2jjk h VAL 252 Cb 0.92 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2jjk h VAL 252 CO 0.09 0.45 0.14 -0.74 0.02 0.00 0.00 177.57 177.52 2jjk h HIS 253 N 0.78 0.81 -0.66 1.57 -0.00 -0.97 -0.55 115.15 116.14 2jjk h HIS 253 Ca 0.11 -0.09 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 2jjk h HIS 253 Cb 0.71 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.86 2jjk h HIS 253 CO 0.04 0.72 0.31 -0.09 -0.00 0.00 0.00 177.93 178.91 2jjk h ARG 254 N 0.67 0.93 -0.42 5.26 2.43 -0.96 -2.11 114.38 120.17 2jjk h ARG 254 Ca 0.16 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2jjk h ARG 254 Cb 0.30 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2jjk h ARG 254 CO -0.00 0.72 0.21 1.15 -1.51 0.00 0.00 179.97 180.54 2jjk h THR 255 N 0.93 0.96 -0.85 0.20 2.02 -0.40 -0.05 112.91 115.72 2jjk h THR 255 Ca 0.23 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 2jjk h THR 255 Cb 0.10 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 2jjk h THR 255 CO -0.03 0.08 0.45 0.25 0.37 0.00 0.00 175.52 176.64 2jjk h LEU 256 N 0.42 1.06 0.15 2.58 5.85 -0.70 -0.37 115.31 124.30 2jjk h LEU 256 Ca 0.18 -0.10 -0.34 0.00 0.84 0.00 0.00 57.88 58.47 2jjk h LEU 256 Cb 0.10 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 2jjk h LEU 256 CO -0.13 0.86 -1.72 0.58 -0.34 0.00 0.00 178.44 177.69 2jjk h VAL 257 N 1.19 0.96 0.00 1.05 2.07 -1.02 -3.39 116.25 117.11 2jjk h VAL 257 Ca 0.30 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 65.23 2jjk h VAL 257 Cb 0.04 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2jjk h VAL 257 CO -0.05 0.84 -0.72 -1.22 0.02 0.00 0.00 177.57 176.44 2jjk n TYR 258 N -3.51 0.00 0.00 1.57 4.01 -0.07 -4.94 117.16 114.22 2jjk n TYR 258 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2jjk n TYR 258 Cb 1.06 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 2jjk n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jjk n GLY 259 N 1.36 -1.29 0.00 2.72 0.00 -0.15 -4.63 105.19 103.20 2jjk n GLY 259 Ca 0.02 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2jjk n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jjk n GLY 260 N -1.51 0.33 2.99 -0.02 0.00 -1.26 -4.46 105.19 101.26 2jjk n GLY 260 Ca 0.00 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 2jjk n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jjk s ILE 261 N 0.00 -0.02 -0.10 -0.61 2.07 -0.87 -0.37 121.20 121.30 2jjk s ILE 261 Ca 0.00 0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 2jjk s ILE 261 Cb 0.00 -0.24 -0.01 0.00 0.13 0.00 0.00 42.46 42.33 2jjk s ILE 261 CO 0.00 0.03 -0.18 0.12 -1.91 0.00 0.00 174.94 173.01 2jjk s PHE 262 N 0.62 2.67 -0.05 3.50 5.36 0.20 -0.22 117.98 130.06 2jjk s PHE 262 Ca -0.04 -0.67 0.04 0.00 -0.96 0.00 0.00 56.93 55.29 2jjk s PHE 262 Cb -0.06 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.88 2jjk s PHE 262 CO -0.03 -0.20 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.86 2jjk s LEU 263 N 0.09 1.87 -0.45 6.12 1.02 0.30 -1.77 118.68 125.86 2jjk s LEU 263 Ca -0.08 -0.35 0.07 0.00 0.02 0.00 0.00 54.13 53.79 2jjk s LEU 263 Cb -0.15 -0.95 0.23 0.00 0.02 0.00 0.00 46.19 45.34 2jjk s LEU 263 CO 0.05 0.13 0.51 0.00 0.02 0.00 0.00 176.35 177.07 2jjk n TYR 264 N 3.29 0.31 -2.32 0.29 4.19 0.11 -4.44 117.16 118.58 2jjk n TYR 264 Ca -0.19 -3.64 -0.30 0.00 3.31 0.00 0.00 57.90 57.08 2jjk n TYR 264 Cb 0.53 -0.26 -0.01 0.00 0.49 0.00 0.00 39.34 40.08 2jjk n TYR 264 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 2jjk s PRO 265 N -1.13 3.71 0.30 2.98 0.04 -1.26 -1.97 135.00 137.67 2jjk s PRO 265 Ca 0.35 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 2jjk s PRO 265 Cb 0.13 -2.20 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 2jjk s PRO 265 CO -0.12 -0.33 1.28 0.00 0.04 0.00 0.00 177.00 177.87 2jjk s ALA 266 N -2.81 3.49 0.00 8.56 0.00 -1.26 -4.59 121.76 125.15 2jjk s ALA 266 Ca 0.54 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.68 2jjk s ALA 266 Cb -0.10 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2jjk s ALA 266 CO 0.42 -0.55 0.00 0.27 0.00 0.00 0.00 175.76 175.91 2jjk n ASN 267 N 1.14 1.33 0.00 0.00 0.23 -0.01 -4.58 115.26 113.37 2jjk n ASN 267 Ca 0.01 -0.04 -0.18 0.00 -0.53 0.00 0.00 54.58 53.84 2jjk n ASN 267 Cb 0.42 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.02 2jjk n ASN 267 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2jjk h LYS 268 N 0.00 0.50 -0.02 -3.83 6.56 -1.92 -2.27 116.57 115.58 2jjk h LYS 268 Ca 0.00 -0.49 -0.04 0.00 -1.06 0.00 0.00 60.65 59.05 2jjk h LYS 268 Cb 0.00 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 2jjk h LYS 268 CO 0.00 1.13 -0.19 -0.22 -2.06 0.00 0.00 179.45 178.11 2jjk h LYS 269 N 0.05 0.03 -2.39 3.15 3.64 -1.98 -3.39 116.57 115.68 2jjk h LYS 269 Ca -0.07 -0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.74 2jjk h LYS 269 Cb 1.34 -0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 32.78 2jjk h LYS 269 CO 0.13 0.22 -0.90 -1.12 -2.27 0.00 0.00 179.45 175.51 2jjk s SER 270 N -6.98 1.93 0.55 4.20 0.01 -1.10 -4.98 113.70 107.32 2jjk s SER 270 Ca -0.04 -2.62 0.36 0.00 1.31 0.00 0.00 55.95 54.96 2jjk s SER 270 Cb 0.16 -0.31 1.78 0.00 0.21 0.00 0.00 66.02 67.85 2jjk s SER 270 CO 0.70 -0.23 2.09 1.55 0.41 0.00 0.00 173.24 177.77 2jjk h PRO 271 N 6.23 0.00 -0.24 12.44 0.13 -1.62 0.26 132.00 149.20 2jjk h PRO 271 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2jjk h PRO 271 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2jjk h PRO 271 CO 0.31 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.17 2jjk n ASN 272 N -2.90 3.70 -0.38 1.44 5.03 -1.26 -4.75 115.26 116.13 2jjk n ASN 272 Ca -0.01 -2.99 0.00 0.00 0.87 0.00 0.00 54.58 52.45 2jjk n ASN 272 Cb 0.16 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 2jjk n ASN 272 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jjk n GLY 273 N -0.57 -0.47 0.00 7.41 0.00 -0.64 -2.23 105.19 108.68 2jjk n GLY 273 Ca 0.20 -1.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.19 2jjk n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jjk n LYS 274 N -0.77 0.85 -1.12 1.61 4.81 -1.26 -4.72 118.16 117.57 2jjk n LYS 274 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 2jjk n LYS 274 Cb 0.00 -1.01 0.11 0.00 0.02 0.00 0.00 35.03 34.15 2jjk n LYS 274 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2jjk s LEU 275 N -4.82 3.02 -0.15 3.14 1.43 -1.26 -4.77 118.68 115.28 2jjk s LEU 275 Ca -0.01 2.01 -0.14 0.00 -1.03 0.00 0.00 54.13 54.96 2jjk s LEU 275 Cb 0.00 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.63 2jjk s LEU 275 CO 0.01 -2.40 0.31 -0.13 0.23 0.00 0.00 176.35 174.37 2jjk s ARG 276 N -4.67 4.22 0.09 1.70 1.81 -1.26 -1.26 118.95 119.58 2jjk s ARG 276 Ca 0.65 0.13 -0.30 0.00 -1.72 0.00 0.00 55.73 54.49 2jjk s ARG 276 Cb -0.20 -3.41 -0.14 0.00 -0.45 0.00 0.00 34.95 30.74 2jjk s ARG 276 CO 0.55 0.27 1.64 1.25 -0.68 0.00 0.00 175.30 178.33 2jjk h LEU 277 N 6.54 -0.69 -0.60 2.53 5.85 -1.54 -0.23 115.31 127.17 2jjk h LEU 277 Ca -0.42 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.22 2jjk h LEU 277 Cb 1.17 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 2jjk h LEU 277 CO 0.75 -0.41 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.12 2jjk h LEU 278 N -0.63 0.87 -1.60 2.25 3.38 -1.79 0.24 115.31 118.04 2jjk h LEU 278 Ca -0.03 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2jjk h LEU 278 Cb 0.54 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2jjk h LEU 278 CO 0.00 1.07 0.00 0.00 0.09 0.00 0.00 178.44 179.61 2jjk n TYR 279 N -4.10 0.00 0.05 1.13 4.11 -1.25 -4.55 117.16 112.55 2jjk n TYR 279 Ca -0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 2jjk n TYR 279 Cb 0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.78 2jjk n TYR 279 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2jjk n GLU 280 N -0.16 0.00 0.04 -3.48 1.02 -0.51 -4.00 120.64 113.55 2jjk n GLU 280 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2jjk n GLU 280 Cb 0.10 -0.38 -0.09 0.00 -0.02 0.00 0.00 31.44 31.05 2jjk n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jjk h ASN 282 N -0.48 -0.55 -0.92 0.00 -0.26 -0.75 0.46 115.58 113.08 2jjk h ASN 282 Ca -0.01 0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 2jjk h ASN 282 Cb 0.41 0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 37.87 2jjk h ASN 282 CO 0.02 -0.24 0.53 -0.65 -1.06 0.00 0.00 177.43 176.03 2jjk h PRO 283 N -0.26 1.27 -0.31 0.81 0.11 -1.80 0.80 132.00 132.62 2jjk h PRO 283 Ca 0.08 -0.13 -0.13 0.00 0.11 0.00 0.00 66.00 65.92 2jjk h PRO 283 Cb 0.37 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2jjk h PRO 283 CO -0.22 0.91 -0.35 0.52 -0.21 0.00 0.00 178.00 178.65 2jjk h MET 284 N 1.28 0.69 -0.79 1.05 2.86 -1.51 -0.12 114.93 118.39 2jjk h MET 284 Ca 0.33 -0.33 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 2jjk h MET 284 Cb -0.02 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.58 2jjk h MET 284 CO -0.06 0.94 0.47 0.00 1.06 0.00 0.00 176.91 179.32 2jjk h ALA 285 N 1.03 1.09 -0.20 6.32 0.00 -0.35 0.28 119.26 127.43 2jjk h ALA 285 Ca 0.06 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2jjk h ALA 285 Cb 0.87 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2jjk h ALA 285 CO 0.08 0.17 -0.67 -0.92 0.00 0.00 0.00 179.25 177.91 2jjk h TYR 286 N 0.85 0.98 0.15 0.00 3.20 -0.47 -0.03 116.97 121.65 2jjk h TYR 286 Ca 0.36 -0.39 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2jjk h TYR 286 Cb 0.21 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2jjk h TYR 286 CO -0.05 1.21 -0.07 0.28 -1.64 0.00 0.00 178.16 177.88 2jjk h VAL 287 N 0.55 1.00 -0.64 1.81 2.07 -0.81 -1.56 116.25 118.67 2jjk h VAL 287 Ca -0.02 -0.80 0.12 0.00 0.82 0.00 0.00 66.70 66.82 2jjk h VAL 287 Cb 1.27 1.48 -0.12 0.00 -1.52 0.00 0.00 31.29 32.40 2jjk h VAL 287 CO 0.14 0.18 -0.27 0.24 0.02 0.00 0.00 177.57 177.88 2jjk h MET 288 N -0.59 -0.09 -0.20 1.57 2.86 -0.43 -1.36 114.93 116.69 2jjk h MET 288 Ca -0.02 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2jjk h MET 288 Cb 0.45 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2jjk h MET 288 CO 0.03 -0.06 0.09 0.93 1.06 0.00 0.00 176.91 178.97 2jjk h GLU 289 N -0.09 0.29 0.00 1.72 5.08 -0.94 0.21 114.58 120.84 2jjk h GLU 289 Ca 0.28 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2jjk h GLU 289 Cb 0.54 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2jjk h GLU 289 CO -0.70 0.32 -0.00 0.87 -1.00 0.00 0.00 179.01 178.50 2jjk h LYS 290 N 0.19 0.00 -0.25 2.33 1.79 -0.94 0.12 116.57 119.81 2jjk h LYS 290 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2jjk h LYS 290 Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2jjk h LYS 290 CO -0.01 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 2jjk n ALA 291 N -2.17 2.49 -0.90 3.86 0.00 -0.54 -4.38 120.51 118.86 2jjk n ALA 291 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2jjk n ALA 291 Cb 0.09 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2jjk n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jjk n GLY 292 N 1.16 0.50 0.06 0.00 0.00 0.43 -0.34 105.19 107.00 2jjk n GLY 292 Ca 0.15 -0.89 -0.00 0.00 0.00 0.00 0.00 46.02 45.28 2jjk n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jjk n GLY 293 N -2.66 2.83 3.19 -0.02 0.00 0.66 -4.58 105.19 104.62 2jjk n GLY 293 Ca 0.00 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 2jjk n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jjk s MET 294 N -2.04 0.89 -0.19 1.61 1.00 -0.39 -3.92 119.30 116.27 2jjk s MET 294 Ca 0.01 -1.28 -0.06 0.00 0.00 0.00 0.00 55.69 54.36 2jjk s MET 294 Cb -0.00 -0.46 0.09 0.00 0.00 0.00 0.00 34.83 34.46 2jjk s MET 294 CO 0.00 0.05 0.38 0.00 0.00 0.00 0.00 175.02 175.45 2jjk s ALA 295 N -2.99 -1.01 0.08 3.03 0.00 -1.26 -1.30 121.76 118.31 2jjk s ALA 295 Ca 0.10 1.30 0.06 0.00 0.00 0.00 0.00 51.96 53.42 2jjk s ALA 295 Cb 0.01 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 2jjk s ALA 295 CO -0.01 -0.79 -0.15 -0.08 0.00 0.00 0.00 175.76 174.72 2jjk s THR 296 N 2.56 1.21 -0.44 0.00 -1.32 0.82 -2.31 115.64 116.16 2jjk s THR 296 Ca 0.01 -1.40 0.23 0.00 -1.21 0.00 0.00 61.69 59.32 2jjk s THR 296 Cb -0.12 -1.20 0.33 0.00 -1.51 0.00 0.00 72.50 70.00 2jjk s THR 296 CO -0.12 -0.24 1.60 0.71 -2.21 0.00 0.00 174.62 174.36 2jjk h THR 297 N 4.15 0.00 0.00 5.08 1.35 -1.35 0.27 112.91 122.40 2jjk h THR 297 Ca -0.41 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 2jjk h THR 297 Cb 1.19 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 2jjk h THR 297 CO 0.42 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.30 2jjk n GLY 298 N 1.11 1.61 0.00 5.82 0.00 -1.26 -4.66 105.19 107.80 2jjk n GLY 298 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2jjk n GLY 298 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jjk n LYS 299 N -0.06 3.34 -3.95 1.61 5.02 -1.26 -4.92 118.16 117.94 2jjk n LYS 299 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2jjk n LYS 299 Cb 0.00 -0.97 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 2jjk n LYS 299 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2jjk s GLU 300 N -1.93 1.84 0.25 1.97 -1.05 -1.26 -5.13 118.70 113.38 2jjk s GLU 300 Ca 0.00 -1.37 -0.30 0.00 -0.15 0.00 0.00 54.97 53.15 2jjk s GLU 300 Cb 0.00 0.53 -0.10 0.00 -0.44 0.00 0.00 34.13 34.12 2jjk s GLU 300 CO 0.00 -0.81 1.36 0.00 0.95 0.00 0.00 175.26 176.77 2jjk s ALA 301 N -3.36 3.56 0.25 -0.84 0.00 -1.26 -1.24 121.76 118.87 2jjk s ALA 301 Ca 0.21 1.23 -0.04 0.00 0.00 0.00 0.00 51.96 53.36 2jjk s ALA 301 Cb -0.03 -3.51 0.40 0.00 0.00 0.00 0.00 23.12 19.98 2jjk s ALA 301 CO 0.12 -0.64 1.82 0.28 0.00 0.00 0.00 175.76 177.34 2jjk h VAL 302 N 3.52 0.93 0.00 0.00 2.07 -1.76 0.19 116.25 121.19 2jjk h VAL 302 Ca -0.46 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2jjk h VAL 302 Cb 1.22 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2jjk h VAL 302 CO 0.75 0.15 0.00 0.18 0.02 0.00 0.00 177.57 178.67 2jjk n LEU 303 N -4.71 0.00 -0.12 2.57 4.77 -1.26 -2.09 117.00 116.15 2jjk n LEU 303 Ca 0.14 0.47 0.09 0.00 -0.03 0.00 0.00 56.01 56.68 2jjk n LEU 303 Cb 0.27 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 2jjk n LEU 303 CO 0.28 -0.39 0.04 0.47 -1.33 0.00 0.00 177.39 176.46 2jjk n ASP 304 N -1.47 1.16 -4.65 -1.43 8.00 0.05 -1.42 116.55 116.79 2jjk n ASP 304 Ca 0.01 -1.08 -0.42 0.00 0.71 0.00 0.00 54.79 54.01 2jjk n ASP 304 Cb 0.06 0.86 -0.03 0.00 -0.02 0.00 0.00 41.12 41.99 2jjk n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jjk s VAL 305 N -2.65 3.59 -0.46 2.53 1.01 -0.89 -4.95 120.40 118.58 2jjk s VAL 305 Ca 0.10 0.69 -0.26 0.00 0.00 0.00 0.00 61.98 62.51 2jjk s VAL 305 Cb 0.15 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 33.05 2jjk s VAL 305 CO 0.71 -0.13 0.94 -0.63 0.00 0.00 0.00 175.10 175.99 2jjk s ILE 306 N 4.60 4.45 0.55 2.22 1.01 -1.26 -4.24 121.20 128.54 2jjk s ILE 306 Ca 0.74 0.78 -0.15 0.00 0.00 0.00 0.00 60.65 62.01 2jjk s ILE 306 Cb -0.31 -4.45 -0.06 0.00 0.01 0.00 0.00 42.46 37.65 2jjk s ILE 306 CO 0.30 -0.85 1.01 -2.16 0.00 0.00 0.00 174.94 173.24 2jjk s PRO 307 N 3.81 3.71 0.00 2.79 0.04 -1.26 -4.98 135.00 139.11 2jjk s PRO 307 Ca 0.38 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2jjk s PRO 307 Cb -0.10 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2jjk s PRO 307 CO 0.27 -0.48 0.04 0.25 0.04 0.00 0.00 177.00 177.13 2jjk n THR 308 N -1.90 0.00 -3.99 1.26 -2.24 -1.26 -4.76 114.28 101.39 2jjk n THR 308 Ca 0.07 -0.35 -0.17 0.00 -2.27 0.00 0.00 64.05 61.33 2jjk n THR 308 Cb 0.54 1.04 -0.16 0.00 -2.10 0.00 0.00 70.33 69.65 2jjk n THR 308 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jjk s ASP 309 N -0.61 0.48 0.57 3.42 -1.08 -1.26 -5.05 116.67 113.15 2jjk s ASP 309 Ca 0.00 -0.05 0.29 0.00 -0.52 0.00 0.00 52.55 52.28 2jjk s ASP 309 Cb 0.00 -0.23 1.71 0.00 -1.46 0.00 0.00 42.92 42.95 2jjk s ASP 309 CO 0.00 -0.07 2.20 0.16 0.52 0.00 0.00 175.17 177.98 2jjk h ILE 310 N 6.06 0.53 -0.34 4.11 3.07 -1.94 -2.56 117.51 126.44 2jjk h ILE 310 Ca -0.40 -0.18 -0.02 0.00 1.55 0.00 0.00 64.86 65.80 2jjk h ILE 310 Cb 1.15 1.12 -0.01 0.00 -0.27 0.00 0.00 36.82 38.80 2jjk h ILE 310 CO 0.48 0.04 0.01 1.41 -1.05 0.00 0.00 178.15 179.04 2jjk n HIS 311 N -3.76 1.20 -2.38 0.16 8.25 -1.26 -4.51 115.22 112.92 2jjk n HIS 311 Ca -0.03 -0.92 -0.35 0.00 -0.26 0.00 0.00 57.72 56.16 2jjk n HIS 311 Cb 0.13 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 30.85 2jjk n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2jjk s GLN 312 N -2.86 3.66 0.44 -0.41 -2.07 -0.97 -4.88 119.66 112.58 2jjk s GLN 312 Ca 0.45 1.55 -0.01 0.00 -1.82 0.00 0.00 55.36 55.53 2jjk s GLN 312 Cb 0.36 -2.17 -0.01 0.00 -1.09 0.00 0.00 33.01 30.10 2jjk s GLN 312 CO 0.10 -0.58 0.68 1.03 -1.32 0.00 0.00 175.29 175.19 2jjk s ARG 313 N -3.07 3.21 -0.15 9.60 0.52 -1.26 -1.54 118.95 126.25 2jjk s ARG 313 Ca 0.68 -0.33 -0.13 0.00 -0.52 0.00 0.00 55.73 55.42 2jjk s ARG 313 Cb -0.22 -2.54 0.04 0.00 0.52 0.00 0.00 34.95 32.76 2jjk s ARG 313 CO 0.26 -0.20 0.40 0.00 0.02 0.00 0.00 175.30 175.78 2jjk s ALA 314 N -2.56 -1.00 0.76 2.13 0.00 -0.39 -4.63 121.76 116.07 2jjk s ALA 314 Ca 0.47 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 53.49 2jjk s ALA 314 Cb -0.10 -0.70 0.06 0.00 0.00 0.00 0.00 23.12 22.38 2jjk s ALA 314 CO 0.39 -0.20 1.15 -2.14 0.00 0.00 0.00 175.76 174.96 2jjk s PRO 315 N 0.39 2.05 -0.12 0.00 0.02 -1.04 -4.02 135.00 132.28 2jjk s PRO 315 Ca -0.01 1.51 -0.06 0.00 0.02 0.00 0.00 61.00 62.45 2jjk s PRO 315 Cb -0.04 -1.85 0.05 0.00 0.02 0.00 0.00 34.50 32.69 2jjk s PRO 315 CO -0.01 -1.85 0.29 0.54 -0.33 0.00 0.00 177.00 175.64 2jjk s VAL 316 N -2.40 -0.08 -0.10 3.83 0.11 -0.83 -4.28 120.40 116.65 2jjk s VAL 316 Ca 0.68 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.89 2jjk s VAL 316 Cb -0.23 -0.45 0.02 0.00 -1.53 0.00 0.00 36.38 34.19 2jjk s VAL 316 CO 0.49 0.06 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.59 2jjk s ILE 317 N 1.42 1.15 0.11 7.04 1.09 0.96 0.04 121.20 133.01 2jjk s ILE 317 Ca -0.08 -0.41 -0.12 0.00 -1.10 0.00 0.00 60.65 58.94 2jjk s ILE 317 Cb -0.10 -1.11 0.01 0.00 -1.06 0.00 0.00 42.46 40.20 2jjk s ILE 317 CO -0.10 0.38 0.28 -1.48 -0.10 0.00 0.00 174.94 173.93 2jjk s LEU 318 N 1.29 0.97 0.00 2.97 0.05 -0.73 -0.13 118.68 123.11 2jjk s LEU 318 Ca -0.02 -0.55 0.00 0.00 0.05 0.00 0.00 54.13 53.61 2jjk s LEU 318 Cb -0.14 1.37 0.00 0.00 -2.05 0.00 0.00 46.19 45.37 2jjk s LEU 318 CO -0.04 -0.80 0.00 0.61 -0.55 0.00 0.00 176.35 175.57 2jjk n GLY 319 N -0.14 0.48 3.77 -3.48 0.00 -0.42 -0.62 105.19 104.77 2jjk n GLY 319 Ca -0.14 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 2jjk n GLY 319 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jjk s SER 320 N -4.00 6.34 0.26 1.61 0.01 0.50 -1.26 113.70 117.16 2jjk s SER 320 Ca 0.00 3.02 -0.05 0.00 1.31 0.00 0.00 55.95 60.24 2jjk s SER 320 Cb 0.00 -2.66 0.31 0.00 0.21 0.00 0.00 66.02 63.88 2jjk s SER 320 CO 0.00 -0.89 1.91 1.55 0.41 0.00 0.00 173.24 176.21 2jjk h PRO 321 N 3.63 1.20 -0.43 12.44 0.13 -1.70 -1.43 132.00 145.83 2jjk h PRO 321 Ca -0.50 -0.11 -0.08 0.00 -0.87 0.00 0.00 66.00 64.45 2jjk h PRO 321 Cb 1.23 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2jjk h PRO 321 CO 0.69 0.84 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.80 2jjk h ASP 322 N 1.22 0.72 -0.18 1.44 5.19 -1.49 -0.67 116.42 122.66 2jjk h ASP 322 Ca 0.32 -0.19 -0.16 0.00 -0.62 0.00 0.00 57.03 56.37 2jjk h ASP 322 Cb -0.05 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.26 2jjk h ASP 322 CO -0.06 0.83 -0.49 0.44 -3.12 0.00 0.00 179.24 176.84 2jjk h ASP 323 N 0.68 0.82 -0.04 6.45 3.32 -1.54 -1.43 116.42 124.68 2jjk h ASP 323 Ca 0.13 -0.41 -0.13 0.00 0.02 0.00 0.00 57.03 56.63 2jjk h ASP 323 Cb 0.51 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.83 2jjk h ASP 323 CO 0.03 1.17 -0.48 0.58 -1.72 0.00 0.00 179.24 178.81 2jjk h VAL 324 N 0.59 1.42 -0.39 -1.35 2.07 -1.14 -2.03 116.25 115.42 2jjk h VAL 324 Ca 0.03 -1.92 0.06 0.00 0.82 0.00 0.00 66.70 65.69 2jjk h VAL 324 Cb 1.06 2.44 -0.05 0.00 -1.52 0.00 0.00 31.29 33.22 2jjk h VAL 324 CO 0.10 0.56 0.08 -0.07 0.02 0.00 0.00 177.57 178.26 2jjk h LEU 325 N -0.09 0.01 -1.27 2.57 3.38 -1.15 0.72 115.31 119.48 2jjk h LEU 325 Ca -0.05 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2jjk h LEU 325 Cb 1.17 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 2jjk h LEU 325 CO 0.10 0.04 0.54 -0.08 0.09 0.00 0.00 178.44 179.13 2jjk h GLU 326 N 0.20 0.83 -0.40 1.13 4.81 -1.16 0.36 114.58 120.35 2jjk h GLU 326 Ca 0.19 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2jjk h GLU 326 Cb 0.23 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2jjk h GLU 326 CO -0.25 0.55 0.15 0.35 -0.73 0.00 0.00 179.01 179.08 2jjk h PHE 327 N 0.85 0.61 -0.92 0.92 3.57 -0.39 -2.34 116.94 119.24 2jjk h PHE 327 Ca 0.37 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.84 2jjk h PHE 327 Cb 0.31 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 2jjk h PHE 327 CO -0.00 0.54 0.61 -0.07 -2.23 0.00 0.00 178.31 177.16 2jjk h LEU 328 N 0.49 1.04 0.39 0.59 3.38 0.68 0.97 115.31 122.86 2jjk h LEU 328 Ca 0.13 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jjk h LEU 328 Cb 0.20 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2jjk h LEU 328 CO -0.01 0.74 -0.42 0.11 0.09 0.00 0.00 178.44 178.95 2jjk h LYS 329 N 1.22 -0.81 -0.64 1.13 1.57 -0.83 0.31 116.57 118.52 2jjk h LYS 329 Ca 0.35 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 59.30 2jjk h LYS 329 Cb -0.10 0.18 -0.09 0.00 0.08 0.00 0.00 32.23 32.31 2jjk h LYS 329 CO -0.09 -0.54 0.19 0.28 -0.57 0.00 0.00 179.45 178.72 2jjk h VAL 330 N -0.84 0.66 -0.49 0.50 2.07 -1.05 -1.97 116.25 115.13 2jjk h VAL 330 Ca -0.03 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 2jjk h VAL 330 Cb 0.76 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2jjk h VAL 330 CO -0.08 0.06 -0.03 0.22 0.02 0.00 0.00 177.57 177.76 2jjk h TYR 331 N 0.33 0.89 0.00 1.57 3.20 0.24 -2.32 116.97 120.88 2jjk h TYR 331 Ca 0.34 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2jjk h TYR 331 Cb 0.49 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2jjk h TYR 331 CO -0.21 0.83 0.00 0.93 -1.64 0.00 0.00 178.16 178.07 2jjk h GLU 332 N 0.77 0.00 0.00 1.82 5.08 -0.09 -1.88 114.58 120.28 2jjk h GLU 332 Ca 0.14 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2jjk h GLU 332 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2jjk h GLU 332 CO 0.03 0.00 -0.41 -0.22 -1.00 0.00 0.00 179.01 177.41 2jjk h LYS 333 N 0.00 0.00 -0.64 2.33 3.64 -0.80 -1.09 116.57 120.00 2jjk h LYS 333 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jjk h LYS 333 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2jjk h LYS 333 CO 0.00 0.41 0.00 0.72 -2.27 0.00 0.00 179.45 178.31 2jjk n HIS 334 N -3.42 1.44 0.00 1.91 8.25 -1.06 -4.93 115.22 117.41 2jjk n HIS 334 Ca 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.93 2jjk n HIS 334 Cb 0.57 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2jjk n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2jjk n SER 335 N 0.75 0.00 0.00 0.41 7.64 -0.41 -5.05 113.62 116.96 2jjk n SER 335 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2jjk n SER 335 Cb 0.87 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2jjk n SER 335 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03