#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 0.05 -5.12 2.53 3.14 -1.26 -5.00 118.33 112.68 2jjk n VAL 10 Ca 0.00 -0.01 -0.29 0.00 -2.96 0.00 0.00 64.34 61.08 2jjk n VAL 10 Cb 0.00 -1.79 -0.16 0.00 -1.06 0.00 0.00 33.84 30.84 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 1.29 2.78 0.25 6.55 3.84 -1.26 -5.06 114.94 123.33 2jjk s ASN 11 Ca 0.78 -0.45 0.12 0.00 0.21 0.00 0.00 52.86 53.52 2jjk s ASN 11 Cb -0.59 -0.30 -0.05 0.00 -0.55 0.00 0.00 41.25 39.76 2jjk s ASN 11 CO 0.36 0.28 -0.19 0.42 -2.79 0.00 0.00 177.10 175.18 2jjk s THR 12 N -0.59 2.55 0.24 -5.21 -4.23 -1.26 -0.26 115.64 106.87 2jjk s THR 12 Ca 0.09 -2.24 -0.07 0.00 -1.18 0.00 0.00 61.69 58.29 2jjk s THR 12 Cb -0.09 -2.30 0.24 0.00 1.34 0.00 0.00 72.50 71.68 2jjk s THR 12 CO -0.00 -0.31 1.66 0.25 -0.54 0.00 0.00 174.62 175.68 2jjk h LEU 13 N 2.52 -0.19 -0.48 4.79 5.85 -1.39 0.19 115.31 126.60 2jjk h LEU 13 Ca -0.42 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 2jjk h LEU 13 Cb 1.24 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 2jjk h LEU 13 CO 0.56 -0.11 0.12 0.74 -0.34 0.00 0.00 178.44 179.42 2jjk h THR 14 N 0.17 1.24 -0.49 1.05 2.02 -1.96 -1.10 112.91 113.83 2jjk h THR 14 Ca 0.39 -0.82 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 2jjk h THR 14 Cb 0.67 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2jjk h THR 14 CO -0.57 0.30 0.04 -0.09 0.37 0.00 0.00 175.52 175.57 2jjk h ARG 15 N 0.65 0.83 -0.06 6.66 2.43 -1.73 -2.91 114.38 120.25 2jjk h ARG 15 Ca 0.15 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2jjk h ARG 15 Cb 0.32 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2jjk h ARG 15 CO 0.00 0.85 0.00 0.35 -1.51 0.00 0.00 179.97 179.66 2jjk h PHE 16 N 0.69 0.11 0.01 2.20 3.57 -0.39 -1.79 116.94 121.34 2jjk h PHE 16 Ca 0.14 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.64 2jjk h PHE 16 Cb 0.45 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2jjk h PHE 16 CO 0.03 0.35 -0.09 0.28 -2.23 0.00 0.00 178.31 176.66 2jjk h VAL 17 N -0.17 0.78 -0.83 1.41 2.07 -1.29 -0.53 116.25 117.68 2jjk h VAL 17 Ca 0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.62 2jjk h VAL 17 Cb 0.31 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 2jjk h VAL 17 CO 0.00 0.00 0.54 -0.03 0.02 0.00 0.00 177.57 178.10 2jjk h MET 18 N -0.16 0.80 0.04 1.57 1.85 -1.47 0.15 114.93 117.71 2jjk h MET 18 Ca 0.03 -0.05 -0.22 0.00 -0.61 0.00 0.00 59.70 58.85 2jjk h MET 18 Cb 0.20 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.03 2jjk h MET 18 CO -0.08 0.53 -1.01 1.49 -0.40 0.00 0.00 176.91 177.44 2jjk h GLU 19 N 0.83 0.14 -0.38 0.39 4.57 -0.67 0.90 114.58 120.35 2jjk h GLU 19 Ca 0.38 -0.20 -0.13 0.00 -1.18 0.00 0.00 59.36 58.23 2jjk h GLU 19 Cb 0.37 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2jjk h GLU 19 CO -0.15 1.03 -0.27 0.93 -1.18 0.00 0.00 179.01 179.37 2jjk h GLU 20 N 0.06 0.80 -0.41 1.92 4.39 -0.68 -1.52 114.58 119.14 2jjk h GLU 20 Ca -0.05 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.26 2jjk h GLU 20 Cb 1.71 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.32 2jjk h GLU 20 CO 0.15 0.98 0.13 0.78 -1.16 0.00 0.00 179.01 179.89 2jjk h GLY 21 N 0.94 0.68 1.29 -3.84 0.00 -0.60 -1.68 103.07 99.86 2jjk h GLY 21 Ca 0.08 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 2jjk h GLY 21 CO 0.07 0.37 -0.20 3.21 0.00 0.00 0.00 176.54 179.99 2jjk h ARG 22 N 0.52 0.82 -0.87 4.80 3.08 -0.79 -1.79 114.38 120.15 2jjk h ARG 22 Ca 0.13 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 2jjk h ARG 22 Cb 0.25 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2jjk h ARG 22 CO -0.01 0.95 0.44 0.87 -1.07 0.00 0.00 179.97 181.15 2jjk h LYS 23 N 0.71 1.24 -0.04 0.04 1.57 -1.19 -2.20 116.57 116.70 2jjk h LYS 23 Ca 0.10 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2jjk h LYS 23 Cb 0.72 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2jjk h LYS 23 CO 0.06 0.93 0.00 0.00 -0.57 0.00 0.00 179.45 179.87 2jjk n ALA 24 N -2.42 2.59 -3.03 3.86 0.00 -0.64 -4.88 120.51 115.99 2jjk n ALA 24 Ca 0.09 -0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 2jjk n ALA 24 Cb 0.13 -1.26 0.02 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.53 -4.09 -2.23 0.00 1.74 -0.83 -4.96 116.66 105.77 2jjk n ARG 25 Ca 0.15 0.78 -0.27 0.00 -0.77 0.00 0.00 57.85 57.74 2jjk n ARG 25 Cb 0.13 -5.57 0.05 0.00 -1.02 0.00 0.00 32.46 26.06 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 -2.62 1.65 0.00 -0.13 0.00 -0.71 -4.98 107.32 100.53 2jjk s GLY 26 Ca 0.29 -0.78 0.28 0.00 0.00 0.00 0.00 44.72 44.51 2jjk s GLY 26 CO 0.36 -0.42 1.81 -1.30 0.00 0.00 0.00 173.10 173.55 2jjk n THR 27 N -2.83 0.00 -0.58 0.90 -2.24 -1.26 -4.84 114.28 103.43 2jjk n THR 27 Ca 0.07 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2jjk n THR 27 Cb 0.59 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2jjk n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jjk n GLY 28 N 1.31 0.76 0.32 3.38 0.00 -1.26 -4.96 105.19 104.75 2jjk n GLY 28 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 3.27 1.04 -0.35 1.61 4.81 -1.99 -2.30 114.58 120.68 2jjk h GLU 29 Ca 0.00 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 2jjk h GLU 29 Cb 0.00 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2jjk h GLU 29 CO 0.00 0.88 -0.14 1.25 -0.73 0.00 0.00 179.01 180.27 2jjk h LEU 30 N 1.01 0.61 -0.55 1.64 5.85 -1.94 -2.56 115.31 119.38 2jjk h LEU 30 Ca 0.23 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2jjk h LEU 30 Cb 0.26 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2jjk h LEU 30 CO -0.01 0.77 0.31 0.74 -0.34 0.00 0.00 178.44 179.91 2jjk h THR 31 N 0.56 1.02 -0.51 1.05 2.02 -1.88 0.23 112.91 115.39 2jjk h THR 31 Ca 0.10 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 2jjk h THR 31 Cb 0.57 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2jjk h THR 31 CO 0.04 0.11 0.04 1.56 0.37 0.00 0.00 175.52 177.64 2jjk h GLN 32 N 0.61 0.88 0.04 6.66 4.20 -1.25 0.76 115.11 127.00 2jjk h GLN 32 Ca 0.23 -0.26 0.02 0.00 0.06 0.00 0.00 58.65 58.70 2jjk h GLN 32 Cb 0.07 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2jjk h GLN 32 CO -0.12 0.89 -0.19 1.25 -0.67 0.00 0.00 178.83 179.99 2jjk h LEU 33 N 0.75 -0.54 -0.69 1.46 6.46 -1.26 -0.09 115.31 121.41 2jjk h LEU 33 Ca 0.15 0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 57.88 2jjk h LEU 33 Cb 0.47 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 2jjk h LEU 33 CO 0.02 -0.26 -0.13 -0.07 -0.62 0.00 0.00 178.44 177.38 2jjk h LEU 34 N -0.32 0.87 -0.28 2.25 3.38 0.15 -1.01 115.31 120.35 2jjk h LEU 34 Ca 0.04 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2jjk h LEU 34 Cb 0.38 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2jjk h LEU 34 CO -0.15 1.01 0.17 0.78 0.09 0.00 0.00 178.44 180.34 2jjk h ASN 35 N 0.78 0.27 -0.37 -0.43 2.35 0.57 -1.28 115.58 117.48 2jjk h ASN 35 Ca 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2jjk h ASN 35 Cb 0.65 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 2jjk h ASN 35 CO 0.05 0.20 0.22 0.28 -1.65 0.00 0.00 177.43 176.52 2jjk h SER 36 N 0.34 0.46 -0.05 5.81 0.02 -0.59 -2.15 113.55 117.40 2jjk h SER 36 Ca 0.11 -0.03 -0.21 0.00 -0.84 0.00 0.00 61.79 60.83 2jjk h SER 36 Cb -0.01 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.43 2jjk h SER 36 CO -0.05 0.38 -0.78 0.25 -1.14 0.00 0.00 176.83 175.48 2jjk h LEU 37 N 0.54 0.77 -0.60 5.07 5.85 -0.94 -2.10 115.31 123.90 2jjk h LEU 37 Ca 0.14 -0.71 0.08 0.00 0.84 0.00 0.00 57.88 58.23 2jjk h LEU 37 Cb 0.01 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 2jjk h LEU 37 CO -0.02 1.37 0.26 0.00 -0.34 0.00 0.00 178.44 179.71 2jjk h THR 39 N 0.48 1.10 -0.84 0.00 2.02 -1.32 -1.72 112.91 112.63 2jjk h THR 39 Ca 0.29 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.24 2jjk h THR 39 Cb 0.29 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 2jjk h THR 39 CO -0.25 0.10 0.54 0.00 0.37 0.00 0.00 175.52 176.28 2jjk h ALA 40 N 1.09 1.07 -0.75 6.16 0.00 -0.97 -2.26 119.26 123.60 2jjk h ALA 40 Ca 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2jjk h ALA 40 Cb -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 2jjk h ALA 40 CO -0.02 0.50 0.32 0.28 0.00 0.00 0.00 179.25 180.34 2jjk h VAL 41 N 1.15 1.25 -0.47 0.00 2.07 -0.37 0.17 116.25 120.04 2jjk h VAL 41 Ca 0.31 -0.75 -0.11 0.00 0.82 0.00 0.00 66.70 66.96 2jjk h VAL 41 Cb -0.10 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2jjk h VAL 41 CO -0.06 0.31 -0.16 0.11 0.02 0.00 0.00 177.57 177.79 2jjk h LYS 42 N 1.07 0.91 -0.43 1.57 1.57 -1.15 0.22 116.57 120.33 2jjk h LYS 42 Ca 0.25 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2jjk h LYS 42 Cb 0.18 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2jjk h LYS 42 CO -0.03 1.00 0.05 0.00 -0.57 0.00 0.00 179.45 179.90 2jjk h ALA 43 N 1.01 0.57 0.03 3.86 0.00 -1.14 -1.65 119.26 121.94 2jjk h ALA 43 Ca 0.12 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2jjk h ALA 43 Cb 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jjk h ALA 43 CO 0.05 0.31 -0.05 0.82 0.00 0.00 0.00 179.25 180.39 2jjk h ILE 44 N 0.58 0.88 -0.43 0.00 2.04 -0.34 -2.24 117.51 117.99 2jjk h ILE 44 Ca 0.13 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.08 2jjk h ILE 44 Cb 0.41 0.88 -0.09 0.00 -0.74 0.00 0.00 36.82 37.28 2jjk h ILE 44 CO 0.01 0.00 -0.18 -1.28 0.00 0.00 0.00 178.15 176.70 2jjk h SER 45 N -0.10 -0.62 -0.67 1.72 0.87 -0.49 0.10 113.55 114.37 2jjk h SER 45 Ca 0.01 0.15 0.06 0.00 -1.23 0.00 0.00 61.79 60.78 2jjk h SER 45 Cb 0.11 0.35 -0.05 0.00 -0.44 0.00 0.00 62.40 62.36 2jjk h SER 45 CO -0.03 -0.21 0.38 -1.28 -0.53 0.00 0.00 176.83 175.15 2jjk h SER 46 N -0.09 0.56 -0.64 6.23 0.87 -1.10 -0.04 113.55 119.34 2jjk h SER 46 Ca 0.21 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 2jjk h SER 46 Cb 0.41 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 2jjk h SER 46 CO -0.49 0.36 0.05 0.00 -0.53 0.00 0.00 176.83 176.22 2jjk h ALA 47 N 1.35 0.87 -0.54 6.23 0.00 -0.83 -2.48 119.26 123.85 2jjk h ALA 47 Ca 0.30 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2jjk h ALA 47 Cb 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jjk h ALA 47 CO -0.18 0.68 0.05 0.28 0.00 0.00 0.00 179.25 180.08 2jjk h VAL 48 N 1.02 1.25 0.00 0.00 2.07 0.21 -1.45 116.25 119.34 2jjk h VAL 48 Ca 0.19 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2jjk h VAL 48 Cb 0.51 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2jjk h VAL 48 CO 0.02 0.36 0.00 0.54 0.02 0.00 0.00 177.57 178.51 2jjk n ARG 49 N -4.22 0.67 -1.93 1.57 3.00 -0.12 -4.90 116.66 110.72 2jjk n ARG 49 Ca 0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 57.86 2jjk n ARG 49 Cb 0.29 -1.50 -0.00 0.00 0.00 0.00 0.00 32.46 31.24 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 -1.16 -0.16 -1.67 5.56 4.76 -0.55 -5.01 118.16 119.95 2jjk n LYS 50 Ca 0.18 0.15 -0.46 0.00 -2.87 0.00 0.00 58.31 55.31 2jjk n LYS 50 Cb 0.18 -3.75 -0.04 0.00 -1.84 0.00 0.00 35.03 29.58 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 -0.87 1.20 -0.83 7.82 0.00 -0.96 -2.02 120.51 124.85 2jjk n ALA 51 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2jjk n ALA 51 Cb 0.47 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 3.12 0.81 0.26 0.00 0.00 -1.26 -4.84 105.19 103.28 2jjk n GLY 52 Ca 0.16 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 -0.65 -0.61 2.10 -1.82 -2.42 117.51 114.10 2jjk h ILE 53 Ca 0.00 -0.09 -0.03 0.00 1.08 0.00 0.00 64.86 65.82 2jjk h ILE 53 Cb 0.00 0.90 -0.03 0.00 -1.09 0.00 0.00 36.82 36.60 2jjk h ILE 53 CO 0.00 0.00 0.29 0.00 -1.08 0.00 0.00 178.15 177.36 2jjk h ALA 54 N 2.02 0.84 -0.41 0.18 0.00 -1.91 -2.16 119.26 117.84 2jjk h ALA 54 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2jjk h ALA 54 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2jjk h ALA 54 CO 0.00 0.43 0.16 0.45 0.00 0.00 0.00 179.25 180.29 2jjk h HIS 55 N 0.91 0.57 0.00 0.00 3.86 -1.83 -1.03 115.15 117.63 2jjk h HIS 55 Ca 0.22 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2jjk h HIS 55 Cb 0.16 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 2jjk h HIS 55 CO 0.01 0.45 -0.05 -0.07 0.86 0.00 0.00 177.93 179.13 2jjk h LEU 56 N 0.57 0.00 -2.88 2.43 -0.00 -1.45 -2.90 115.31 111.07 2jjk h LEU 56 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2jjk h LEU 56 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2jjk h LEU 56 CO -0.01 0.05 0.00 -1.22 -0.00 0.00 0.00 178.44 177.26 2jjk n TYR 57 N -3.19 0.83 -0.49 1.13 4.02 -0.46 -4.96 117.16 114.04 2jjk n TYR 57 Ca 0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 57.90 57.36 2jjk n TYR 57 Cb 0.31 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 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 1.00 1.46 0.23 2.72 0.00 -0.80 -4.99 105.19 104.80 2jjk n GLY 58 Ca 0.19 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 1.12 -0.74 -0.61 2.10 -1.61 -1.81 117.51 115.96 2jjk h ILE 59 Ca 0.00 -0.56 0.00 0.00 1.08 0.00 0.00 64.86 65.38 2jjk h ILE 59 Cb 0.23 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.22 2jjk h ILE 59 CO 0.00 0.17 0.00 0.00 -1.08 0.00 0.00 178.15 177.24 2jjk n ALA 60 N -2.51 2.45 0.00 0.18 0.00 -1.26 -5.05 120.51 114.31 2jjk n ALA 60 Ca -0.02 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.09 2jjk n ALA 60 Cb 0.23 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.64 0.62 3.72 0.00 0.00 -0.68 -5.21 105.19 105.27 2jjk n GLY 61 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 2jjk n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jjk s LYS 71 N -1.00 1.84 0.69 1.61 1.02 -1.26 -4.76 119.74 117.89 2jjk s LYS 71 Ca 0.00 1.57 -0.17 0.00 0.02 0.00 0.00 55.97 57.39 2jjk s LYS 71 Cb 0.00 -1.82 0.01 0.00 -0.52 0.00 0.00 37.83 35.51 2jjk s LYS 71 CO 0.00 -2.02 1.26 0.21 -0.92 0.00 0.00 175.35 173.88 2jjk s LYS 72 N -4.32 2.31 0.21 1.68 2.20 -1.26 -4.81 119.74 115.75 2jjk s LYS 72 Ca 0.69 1.96 -0.09 0.00 -0.36 0.00 0.00 55.97 58.16 2jjk s LYS 72 Cb -0.24 -1.83 0.15 0.00 -1.51 0.00 0.00 37.83 34.40 2jjk s LYS 72 CO 0.51 -1.75 1.83 1.25 -0.36 0.00 0.00 175.35 176.83 2jjk h LEU 73 N 0.14 0.95 -0.49 5.43 5.85 -1.99 -1.11 115.31 124.09 2jjk h LEU 73 Ca -0.50 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 2jjk h LEU 73 Cb 1.32 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2jjk h LEU 73 CO 0.51 0.77 0.28 -2.24 -0.34 0.00 0.00 178.44 177.42 2jjk h ASP 74 N 1.06 0.60 -0.09 1.25 2.03 -1.94 -0.20 116.42 119.13 2jjk h ASP 74 Ca 0.27 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 2jjk h ASP 74 Cb 0.02 -0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 38.36 2jjk h ASP 74 CO -0.05 0.50 0.06 0.58 -1.03 0.00 0.00 179.24 179.30 2jjk h VAL 75 N 0.65 1.03 -0.36 4.15 2.07 -1.87 -1.06 116.25 120.87 2jjk h VAL 75 Ca 0.17 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.64 2jjk h VAL 75 Cb 0.02 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2jjk h VAL 75 CO -0.03 0.03 0.23 0.25 0.02 0.00 0.00 177.57 178.07 2jjk h LEU 76 N 0.11 0.39 -0.74 2.57 5.85 -1.06 -0.61 115.31 121.83 2jjk h LEU 76 Ca 0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2jjk h LEU 76 Cb -0.01 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2jjk h LEU 76 CO -0.01 0.28 0.46 0.28 -0.34 0.00 0.00 178.44 179.12 2jjk h SER 77 N 0.47 0.88 -0.44 1.25 0.02 -0.91 0.48 113.55 115.29 2jjk h SER 77 Ca 0.13 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2jjk h SER 77 Cb -0.04 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 2jjk h SER 77 CO -0.04 0.66 0.28 -1.13 -1.14 0.00 0.00 176.83 175.46 2jjk h ASN 78 N 1.01 0.46 -0.58 3.07 -1.24 -0.95 -1.12 115.58 116.23 2jjk h ASN 78 Ca 0.27 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.25 2jjk h ASN 78 Cb -0.07 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 2jjk h ASN 78 CO -0.05 0.33 0.28 0.44 -1.29 0.00 0.00 177.43 177.14 2jjk h ASP 79 N 0.56 0.79 0.16 1.15 3.32 -0.41 0.16 116.42 122.14 2jjk h ASP 79 Ca 0.17 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2jjk h ASP 79 Cb -0.03 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.32 2jjk h ASP 79 CO -0.06 0.68 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.99 2jjk h LEU 80 N 0.87 -0.18 -0.16 1.55 3.38 -0.64 -1.71 115.31 118.42 2jjk h LEU 80 Ca 0.21 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2jjk h LEU 80 Cb 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2jjk h LEU 80 CO -0.03 0.01 -0.01 0.58 0.09 0.00 0.00 178.44 179.09 2jjk h VAL 81 N -0.37 1.26 -0.32 1.22 2.07 -0.89 -1.04 116.25 118.18 2jjk h VAL 81 Ca -0.02 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.68 2jjk h VAL 81 Cb 0.29 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 2jjk h VAL 81 CO 0.04 0.26 0.00 0.24 0.02 0.00 0.00 177.57 178.13 2jjk h MET 82 N 0.02 0.10 -0.30 1.57 2.86 -0.75 -1.76 114.93 116.67 2jjk h MET 82 Ca 0.04 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.50 2jjk h MET 82 Cb 0.39 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 2jjk h MET 82 CO 0.01 0.06 -0.53 -0.97 1.06 0.00 0.00 176.91 176.54 2jjk h ASN 83 N 0.10 0.97 -0.67 1.22 -1.24 -1.23 -1.47 115.58 113.25 2jjk h ASN 83 Ca 0.15 -0.51 -0.07 0.00 0.71 0.00 0.00 56.30 56.59 2jjk h ASN 83 Cb 0.20 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 2jjk h ASN 83 CO -0.25 1.31 0.16 0.24 -1.29 0.00 0.00 177.43 177.59 2jjk h MET 84 N 0.67 1.08 -0.14 6.67 2.86 -1.06 -2.16 114.93 122.85 2jjk h MET 84 Ca 0.02 -0.26 -0.11 0.00 -2.06 0.00 0.00 59.70 57.28 2jjk h MET 84 Cb 1.14 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.66 2jjk h MET 84 CO 0.12 0.97 -0.35 -0.07 1.06 0.00 0.00 176.91 178.63 2jjk h LEU 85 N 1.01 0.56 -0.41 1.22 3.38 -1.20 -2.39 115.31 117.48 2jjk h LEU 85 Ca 0.21 -0.58 0.08 0.00 0.09 0.00 0.00 57.88 57.69 2jjk h LEU 85 Cb 0.37 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 2jjk h LEU 85 CO 0.00 1.04 -0.13 0.11 0.09 0.00 0.00 178.44 179.54 2jjk h LYS 86 N 0.11 -0.04 0.00 1.13 1.57 -1.32 -2.61 116.57 115.41 2jjk h LYS 86 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jjk h LYS 86 Cb 0.96 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2jjk h LYS 86 CO 0.08 -0.03 0.00 -1.13 -0.57 0.00 0.00 179.45 177.80 2jjk n SER 87 N -5.34 0.00 0.24 0.86 3.41 -0.81 -2.93 113.62 109.04 2jjk n SER 87 Ca 0.03 0.12 0.15 0.00 -0.26 0.00 0.00 58.87 58.91 2jjk n SER 87 Cb 0.25 -0.36 0.51 0.00 -0.26 0.00 0.00 64.21 64.35 2jjk n SER 87 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2jjk h SER 88 N 0.00 0.00 -0.54 4.04 4.64 -1.02 -3.47 113.55 117.20 2jjk h SER 88 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 2jjk h SER 88 Cb 0.31 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.31 2jjk h SER 88 CO 0.00 0.00 -0.21 0.49 -0.87 0.00 0.00 176.83 176.24 2jjk n PHE 89 N -2.95 0.00 0.50 4.77 3.01 -1.15 -4.73 117.46 116.91 2jjk n PHE 89 Ca 0.02 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.54 2jjk n PHE 89 Cb 0.37 -2.48 0.04 0.00 -0.01 0.00 0.00 39.48 37.39 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 1.21 2.56 -2.35 4.37 0.00 -1.26 -3.46 120.51 121.59 2jjk n ALA 90 Ca -0.11 -0.57 -0.18 0.00 0.00 0.00 0.00 53.44 52.57 2jjk n ALA 90 Cb 0.50 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.09 1.59 0.00 0.00 -4.23 -1.26 -1.45 115.64 109.20 2jjk s THR 91 Ca 0.13 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2jjk s THR 91 Cb 0.10 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.82 2jjk s THR 91 CO 0.18 -0.54 0.00 0.00 -0.54 0.00 0.00 174.62 173.72 2jjk s VAL 93 N -1.54 0.94 -0.13 0.00 1.01 -1.25 -0.63 120.40 118.80 2jjk s VAL 93 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 2jjk s VAL 93 Cb 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.55 2jjk s VAL 93 CO 0.00 0.30 -0.09 -0.76 0.00 0.00 0.00 175.10 174.56 2jjk s LEU 94 N 0.52 1.35 -0.15 3.92 1.43 -0.07 -1.46 118.68 124.22 2jjk s LEU 94 Ca -0.10 -0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 52.55 2jjk s LEU 94 Cb -0.13 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 2jjk s LEU 94 CO 0.02 -0.12 0.05 -0.69 0.23 0.00 0.00 176.35 175.84 2jjk s VAL 95 N 1.65 4.66 0.02 -1.59 1.01 -0.07 -0.43 120.40 125.66 2jjk s VAL 95 Ca 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2jjk s VAL 95 Cb -0.13 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 2jjk s VAL 95 CO -0.09 0.51 -0.11 -0.55 0.00 0.00 0.00 175.10 174.86 2jjk s SER 96 N -0.01 1.25 0.51 3.32 0.15 -1.26 -1.44 113.70 116.22 2jjk s SER 96 Ca 0.05 -0.33 0.21 0.00 0.70 0.00 0.00 55.95 56.59 2jjk s SER 96 Cb -0.12 -0.09 1.30 0.00 -1.71 0.00 0.00 66.02 65.40 2jjk s SER 96 CO 0.01 0.04 2.02 -0.08 1.20 0.00 0.00 173.24 176.43 2jjk h GLU 97 N 5.36 0.08 0.00 5.44 4.22 -1.86 -1.36 114.58 126.45 2jjk h GLU 97 Ca -0.34 -0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.05 2jjk h GLU 97 Cb 1.18 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2jjk h GLU 97 CO 0.46 0.05 -0.22 0.93 -2.18 0.00 0.00 179.01 178.06 2jjk h GLU 98 N 0.08 0.00 -5.59 1.92 4.39 -1.95 -3.45 114.58 109.98 2jjk h GLU 98 Ca 0.21 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.24 2jjk h GLU 98 Cb 0.73 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.11 2jjk h GLU 98 CO -0.02 0.22 -0.77 -0.51 -1.16 0.00 0.00 179.01 176.76 2jjk s ASP 99 N -6.19 3.95 0.17 1.42 1.11 -0.51 -5.03 116.67 111.59 2jjk s ASP 99 Ca 0.03 -0.31 -0.11 0.00 0.18 0.00 0.00 52.55 52.33 2jjk s ASP 99 Cb 0.08 -1.39 0.06 0.00 1.07 0.00 0.00 42.92 42.74 2jjk s ASP 99 CO 0.66 0.21 1.68 0.50 1.18 0.00 0.00 175.17 179.39 2jjk h LYS 100 N 6.35 0.92 -6.05 8.23 3.64 -1.88 -3.42 116.57 124.36 2jjk h LYS 100 Ca -0.31 -0.22 -0.56 0.00 -1.27 0.00 0.00 60.65 58.29 2jjk h LYS 100 Cb 1.20 -0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.81 2jjk h LYS 100 CO 0.54 0.86 -0.57 -1.01 -2.27 0.00 0.00 179.45 177.00 2jjk s HIS 101 N -5.30 2.64 0.50 1.91 3.76 -1.26 -4.94 115.29 112.61 2jjk s HIS 101 Ca -0.13 -0.41 -0.23 0.00 -0.15 0.00 0.00 55.06 54.14 2jjk s HIS 101 Cb 0.13 -1.59 -0.06 0.00 1.11 0.00 0.00 32.58 32.16 2jjk s HIS 101 CO 0.81 0.39 1.34 0.00 -0.85 0.00 0.00 174.74 176.43 2jjk s ALA 102 N -2.47 2.95 -0.14 -1.40 0.00 -1.26 -4.78 121.76 114.66 2jjk s ALA 102 Ca 0.37 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.50 2jjk s ALA 102 Cb -0.01 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2jjk s ALA 102 CO 0.21 -1.19 0.25 0.42 0.00 0.00 0.00 175.76 175.45 2jjk s ILE 103 N -1.32 5.33 -0.24 0.00 -1.09 0.43 -4.92 121.20 119.39 2jjk s ILE 103 Ca 0.67 0.45 -0.08 0.00 -2.23 0.00 0.00 60.65 59.47 2jjk s ILE 103 Cb -0.39 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 2jjk s ILE 103 CO 0.47 0.46 0.08 -0.63 -1.23 0.00 0.00 174.94 174.10 2jjk s ILE 104 N -0.01 4.45 0.36 2.92 -1.09 -1.26 -0.89 121.20 125.67 2jjk s ILE 104 Ca 0.15 -0.13 -0.28 0.00 -2.23 0.00 0.00 60.65 58.16 2jjk s ILE 104 Cb -0.13 -3.08 -0.10 0.00 -1.58 0.00 0.00 42.46 37.57 2jjk s ILE 104 CO 0.04 0.34 1.37 -0.69 -1.23 0.00 0.00 174.94 174.77 2jjk s VAL 105 N 1.49 2.46 0.52 2.92 1.01 0.20 -4.96 120.40 124.04 2jjk s VAL 105 Ca 0.06 0.46 -0.22 0.00 0.00 0.00 0.00 61.98 62.28 2jjk s VAL 105 Cb -0.15 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 2jjk s VAL 105 CO 0.04 0.11 1.21 -1.84 0.00 0.00 0.00 175.10 174.61 2jjk n GLU 106 N 0.60 1.52 -0.32 2.72 0.28 -1.26 -4.83 120.64 119.35 2jjk n GLU 106 Ca 0.01 0.56 0.05 0.00 -0.16 0.00 0.00 57.16 57.61 2jjk n GLU 106 Cb 0.41 -2.37 0.13 0.00 1.43 0.00 0.00 31.44 31.03 2jjk n GLU 106 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 2jjk h PRO 107 N 1.36 0.00 0.00 3.44 0.11 -1.99 -2.07 132.00 132.86 2jjk h PRO 107 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jjk h PRO 107 Cb 1.32 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2jjk h PRO 107 CO 0.56 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.28 2jjk h GLU 108 N 0.00 0.00 -0.14 1.05 4.39 -2.02 -2.42 114.58 115.45 2jjk h GLU 108 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 2jjk h GLU 108 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2jjk h GLU 108 CO -0.91 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 178.57 2jjk n LYS 109 N -2.31 2.57 -2.70 2.33 5.02 -0.78 -5.05 118.16 117.23 2jjk n LYS 109 Ca 0.00 -2.14 -0.41 0.00 -2.02 0.00 0.00 58.31 53.74 2jjk n LYS 109 Cb 0.15 -1.34 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.77 4.67 0.00 1.97 0.52 -0.91 -3.97 118.95 119.46 2jjk s ARG 110 Ca 0.21 1.48 0.00 0.00 -0.52 0.00 0.00 55.73 56.91 2jjk s ARG 110 Cb 0.16 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 32.26 2jjk s ARG 110 CO 0.06 0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.96 2jjk n GLY 111 N 2.30 4.38 0.01 -3.53 0.00 -0.37 -4.78 105.19 103.20 2jjk n GLY 111 Ca 0.03 -1.92 0.12 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 0.00 0.06 -3.80 1.61 2.85 -1.10 -3.52 118.16 114.25 2jjk n LYS 112 Ca 0.00 0.01 -0.34 0.00 -1.05 0.00 0.00 58.31 56.93 2jjk n LYS 112 Cb 0.00 -1.53 -0.05 0.00 -0.65 0.00 0.00 35.03 32.79 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 -3.03 3.57 -0.14 5.58 2.02 -0.53 0.19 117.35 125.01 2jjk s TYR 113 Ca 0.10 0.52 -0.04 0.00 -0.37 0.00 0.00 57.07 57.28 2jjk s TYR 113 Cb 0.17 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 2jjk s TYR 113 CO 0.69 0.62 0.00 0.08 -1.57 0.00 0.00 175.55 175.37 2jjk s VAL 114 N -1.31 4.29 -0.08 0.71 1.01 0.16 -1.31 120.40 123.86 2jjk s VAL 114 Ca 0.28 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.04 2jjk s VAL 114 Cb -0.13 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.40 2jjk s VAL 114 CO 0.17 0.53 -0.13 -0.69 0.00 0.00 0.00 175.10 174.98 2jjk s VAL 115 N -0.12 1.27 -0.14 2.92 1.01 -0.53 -0.37 120.40 124.44 2jjk s VAL 115 Ca 0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 2jjk s VAL 115 Cb -0.13 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2jjk s VAL 115 CO 0.02 0.39 -0.04 0.00 0.00 0.00 0.00 175.10 175.47 2jjk s PHE 117 N 0.20 -0.12 -0.35 0.00 -0.71 -0.52 -0.44 117.98 116.04 2jjk s PHE 117 Ca -0.02 0.02 -0.09 0.00 -1.04 0.00 0.00 56.93 55.80 2jjk s PHE 117 Cb -0.14 0.09 0.03 0.00 -1.21 0.00 0.00 43.02 41.79 2jjk s PHE 117 CO 0.03 -0.48 0.16 0.34 -1.34 0.00 0.00 175.22 173.93 2jjk s ASP 118 N -1.92 5.53 0.33 1.98 -1.08 -0.32 -2.36 116.67 118.83 2jjk s ASP 118 Ca -0.07 -0.95 0.15 0.00 -0.52 0.00 0.00 52.55 51.16 2jjk s ASP 118 Cb -0.02 -1.96 0.55 0.00 -1.46 0.00 0.00 42.92 40.03 2jjk s ASP 118 CO -0.02 -0.33 1.69 1.55 0.52 0.00 0.00 175.17 178.59 2jjk h PRO 119 N 8.34 0.00 -1.51 4.34 0.13 -1.86 -1.49 132.00 139.96 2jjk h PRO 119 Ca -0.26 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.49 2jjk h PRO 119 Cb 1.10 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.96 2jjk h PRO 119 CO 0.64 0.48 -0.76 -0.11 -0.23 0.00 0.00 178.00 178.02 2jjk n LEU 120 N -3.70 -1.80 -4.73 1.56 7.94 -1.24 -4.33 117.00 110.70 2jjk n LEU 120 Ca -0.01 -3.75 -0.42 0.00 -1.11 0.00 0.00 56.01 50.73 2jjk n LEU 120 Cb 0.54 0.68 -0.03 0.00 0.53 0.00 0.00 43.42 45.14 2jjk n LEU 120 CO 0.39 1.94 1.00 -0.62 -1.11 0.00 0.00 177.39 178.99 2jjk s ASP 121 N -0.05 6.90 0.00 1.96 2.15 0.27 -3.01 116.67 124.89 2jjk s ASP 121 Ca 0.32 2.33 0.00 0.00 0.43 0.00 0.00 52.55 55.63 2jjk s ASP 121 Cb 0.07 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2jjk s ASP 121 CO -0.14 -0.56 0.00 0.61 -0.17 0.00 0.00 175.17 174.91 2jjk n GLY 122 N 2.81 0.26 0.37 2.66 0.00 -1.26 -1.32 105.19 108.71 2jjk n GLY 122 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.29 2jjk n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jjk h SER 123 N 0.00 0.00 -0.73 1.61 4.64 -1.88 -1.98 113.55 115.21 2jjk h SER 123 Ca 0.00 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.53 2jjk h SER 123 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2jjk h SER 123 CO 0.00 0.00 0.52 0.77 -0.87 0.00 0.00 176.83 177.25 2jjk h SER 124 N 0.00 0.04 -0.29 4.97 4.64 -1.92 -1.22 113.55 119.77 2jjk h SER 124 Ca 0.16 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 2jjk h SER 124 Cb 0.85 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 2jjk h SER 124 CO -0.00 0.02 -0.00 0.59 -0.87 0.00 0.00 176.83 176.56 2jjk n ASN 125 N -4.34 3.51 0.19 4.97 5.03 -0.74 -4.65 115.26 119.23 2jjk n ASN 125 Ca 0.15 -3.21 0.14 0.00 0.87 0.00 0.00 54.58 52.53 2jjk n ASN 125 Cb 0.78 -0.57 0.63 0.00 -1.02 0.00 0.00 39.78 39.60 2jjk n ASN 125 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 2jjk h ILE 126 N 1.54 0.00 -0.19 2.41 2.10 -1.32 -1.90 117.51 120.15 2jjk h ILE 126 Ca 0.07 -0.22 0.06 0.00 1.08 0.00 0.00 64.86 65.84 2jjk h ILE 126 Cb 1.51 0.99 -0.01 0.00 -1.09 0.00 0.00 36.82 38.23 2jjk h ILE 126 CO 0.27 0.00 0.33 0.44 -1.08 0.00 0.00 178.15 178.11 2jjk h ASP 127 N 0.00 0.00 -0.30 2.19 3.32 -1.82 0.65 116.42 120.45 2jjk h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jjk h ASP 127 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 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 0.85 -1.12 -4.61 0.00 4.77 0.22 -4.97 117.00 112.14 2jjk n LEU 129 Ca 0.13 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.93 2jjk n LEU 129 Cb 0.44 -1.99 0.01 0.00 -2.33 0.00 0.00 43.42 39.55 2jjk n LEU 129 CO 0.10 -0.54 0.59 0.55 -1.33 0.00 0.00 177.39 176.75 2jjk n VAL 130 N -2.98 2.36 -1.55 4.08 3.14 -1.26 -4.89 118.33 117.24 2jjk n VAL 130 Ca -0.14 -0.50 -0.51 0.00 -2.96 0.00 0.00 64.34 60.24 2jjk n VAL 130 Cb 0.48 -1.14 -0.05 0.00 -1.06 0.00 0.00 33.84 32.07 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 0.61 0.84 -4.70 6.55 7.64 -1.26 -4.80 113.62 118.49 2jjk n SER 131 Ca 0.09 1.14 -0.29 0.00 1.01 0.00 0.00 58.87 60.82 2jjk n SER 131 Cb 0.38 -1.13 -0.09 0.00 -1.01 0.00 0.00 64.21 62.36 2jjk n SER 131 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2jjk s VAL 132 N -0.21 1.76 0.15 0.44 -7.23 -1.17 -4.81 120.40 109.33 2jjk s VAL 132 Ca 0.76 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 58.85 2jjk s VAL 132 Cb -0.94 -2.68 0.03 0.00 0.56 0.00 0.00 36.38 33.35 2jjk s VAL 132 CO 0.53 0.00 0.41 -0.83 -0.31 0.00 0.00 175.10 174.90 2jjk s GLY 133 N -3.83 -0.10 -0.17 2.32 0.00 -0.43 -1.06 107.32 104.05 2jjk s GLY 133 Ca 0.26 -0.24 -0.04 0.00 0.00 0.00 0.00 44.72 44.70 2jjk s GLY 133 CO 0.14 -0.39 -0.03 -1.59 0.00 0.00 0.00 173.10 171.23 2jjk s THR 134 N -3.85 3.85 -0.05 0.90 2.01 0.10 0.97 115.64 119.58 2jjk s THR 134 Ca 0.07 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.75 2jjk s THR 134 Cb 0.01 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 2jjk s THR 134 CO -0.08 0.47 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.51 2jjk s ILE 135 N 0.62 2.74 0.01 1.82 1.01 -0.56 0.12 121.20 126.96 2jjk s ILE 135 Ca -0.02 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 2jjk s ILE 135 Cb -0.14 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 2jjk s ILE 135 CO 0.02 0.58 0.05 0.72 0.00 0.00 0.00 174.94 176.31 2jjk s PHE 136 N -0.57 0.15 -0.02 3.97 -0.12 0.17 -1.17 117.98 120.39 2jjk s PHE 136 Ca 0.08 -0.32 0.01 0.00 -0.05 0.00 0.00 56.93 56.65 2jjk s PHE 136 Cb -0.11 -0.12 0.02 0.00 -0.63 0.00 0.00 43.02 42.18 2jjk s PHE 136 CO 0.01 -0.23 -0.02 0.20 -0.05 0.00 0.00 175.22 175.13 2jjk s GLY 137 N -1.36 0.24 -0.15 1.99 0.00 0.41 -1.20 107.32 107.26 2jjk s GLY 137 Ca -0.15 0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.61 2jjk s GLY 137 CO 0.00 0.32 -0.15 -0.42 0.00 0.00 0.00 173.10 172.85 2jjk s ILE 138 N 0.60 1.59 0.12 0.90 1.01 0.56 -1.40 121.20 124.58 2jjk s ILE 138 Ca -0.06 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.04 2jjk s ILE 138 Cb -0.09 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2jjk s ILE 138 CO -0.01 0.46 -0.21 -0.31 0.00 0.00 0.00 174.94 174.87 2jjk s TYR 139 N 1.42 2.46 0.10 3.97 2.02 0.50 -0.63 117.35 127.20 2jjk s TYR 139 Ca 0.04 -0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.14 2jjk s TYR 139 Cb -0.13 -1.32 -0.06 0.00 -0.40 0.00 0.00 41.96 40.05 2jjk s TYR 139 CO -0.10 0.36 1.00 0.50 -1.57 0.00 0.00 175.55 175.75 2jjk s ARG 140 N -2.09 4.64 0.11 -0.62 3.52 -1.26 0.38 118.95 123.64 2jjk s ARG 140 Ca 0.17 1.51 -0.31 0.00 -0.13 0.00 0.00 55.73 56.96 2jjk s ARG 140 Cb -0.10 -3.37 -0.11 0.00 -1.56 0.00 0.00 34.95 29.80 2jjk s ARG 140 CO 0.09 0.12 1.84 1.17 -0.81 0.00 0.00 175.30 177.70 2jjk n LYS 141 N 2.98 2.74 -0.04 5.12 4.81 0.13 -4.77 118.16 129.13 2jjk n LYS 141 Ca 0.03 1.00 -0.19 0.00 -0.87 0.00 0.00 58.31 58.28 2jjk n LYS 141 Cb 0.49 -2.89 -0.13 0.00 0.02 0.00 0.00 35.03 32.52 2jjk n LYS 141 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2jjk n LYS 142 N 5.66 0.72 -2.68 1.64 4.81 -1.26 -4.95 118.16 122.10 2jjk n LYS 142 Ca 0.18 0.22 -0.35 0.00 -0.87 0.00 0.00 58.31 57.50 2jjk n LYS 142 Cb 0.37 -1.65 -0.05 0.00 0.02 0.00 0.00 35.03 33.71 2jjk n LYS 142 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2jjk s SER 143 N -6.79 6.78 0.00 3.14 0.15 -1.26 -4.96 113.70 110.76 2jjk s SER 143 Ca -0.25 1.85 0.21 0.00 0.70 0.00 0.00 55.95 58.46 2jjk s SER 143 Cb 0.07 -2.56 0.58 0.00 -1.71 0.00 0.00 66.02 62.40 2jjk s SER 143 CO 0.72 -0.47 1.46 0.35 1.20 0.00 0.00 173.24 176.51 2jjk n THR 144 N -0.46 0.37 -0.93 6.45 -2.24 -1.26 -4.96 114.28 111.26 2jjk n THR 144 Ca 0.07 -0.53 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 2jjk n THR 144 Cb 0.52 0.59 0.22 0.00 -2.10 0.00 0.00 70.33 69.56 2jjk n THR 144 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jjk s ASP 145 N -1.46 1.49 0.34 3.42 1.11 -1.26 -4.96 116.67 115.36 2jjk s ASP 145 Ca 0.34 1.10 -0.28 0.00 0.18 0.00 0.00 52.55 53.90 2jjk s ASP 145 Cb 0.19 -1.70 -0.12 0.00 1.07 0.00 0.00 42.92 42.36 2jjk s ASP 145 CO 0.27 -3.82 1.31 1.21 1.18 0.00 0.00 175.17 175.32 2jjk n GLU 146 N -4.62 2.18 -2.07 8.23 4.07 -1.26 -4.88 120.64 122.29 2jjk n GLU 146 Ca 0.06 0.76 -0.41 0.00 -0.06 0.00 0.00 57.16 57.52 2jjk n GLU 146 Cb 0.57 -2.36 -0.02 0.00 -0.06 0.00 0.00 31.44 29.57 2jjk n GLU 146 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2jjk s PRO 147 N -1.87 4.31 0.34 5.31 0.04 -1.26 -4.97 135.00 136.90 2jjk s PRO 147 Ca 0.55 2.26 -0.07 0.00 0.04 0.00 0.00 61.00 63.79 2jjk s PRO 147 Cb -0.56 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 30.93 2jjk s PRO 147 CO 0.62 -0.28 0.57 -1.13 0.04 0.00 0.00 177.00 176.82 2jjk n SER 148 N 1.30 -1.64 -0.34 6.66 3.41 -1.26 -5.01 113.62 116.73 2jjk n SER 148 Ca 0.02 -2.62 0.15 0.00 -0.26 0.00 0.00 58.87 56.16 2jjk n SER 148 Cb 0.41 2.87 0.37 0.00 -0.26 0.00 0.00 64.21 67.60 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 0.64 -0.31 4.33 4.81 -1.93 -1.90 114.58 120.22 2jjk h GLU 149 Ca -0.28 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.00 2jjk h GLU 149 Cb 1.12 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2jjk h GLU 149 CO 0.36 0.43 0.41 0.87 -0.73 0.00 0.00 179.01 180.35 2jjk h LYS 150 N 0.66 0.00 0.00 1.92 1.57 -1.96 -1.05 116.57 117.72 2jjk h LYS 150 Ca 0.59 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.34 2jjk h LYS 150 Cb 1.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 2jjk h LYS 150 CO -0.38 0.00 -0.16 -0.44 -0.57 0.00 0.00 179.45 177.90 2jjk h ASP 151 N 0.00 0.00 -0.18 0.86 3.32 -1.74 -2.35 116.42 116.34 2jjk h ASP 151 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2jjk h ASP 151 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2jjk h ASP 151 CO -0.00 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 177.68 2jjk n ALA 152 N -2.22 2.51 -1.10 3.45 0.00 -0.40 -4.30 120.51 118.45 2jjk n ALA 152 Ca -0.01 -0.54 -0.24 0.00 0.00 0.00 0.00 53.44 52.65 2jjk n ALA 152 Cb 0.34 -1.08 0.05 0.00 0.00 0.00 0.00 19.45 18.76 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 0.37 6.98 -4.86 0.00 4.77 -0.88 -4.92 117.00 118.46 2jjk n LEU 153 Ca 0.16 -3.74 -0.35 0.00 -0.03 0.00 0.00 56.01 52.05 2jjk n LEU 153 Cb 0.34 -1.03 -0.06 0.00 -2.33 0.00 0.00 43.42 40.34 2jjk n LEU 153 CO 0.13 1.35 0.13 -1.10 -1.33 0.00 0.00 177.39 176.57 2jjk s GLN 154 N -2.64 3.85 0.65 3.23 -0.21 -1.26 -4.34 119.66 118.94 2jjk s GLN 154 Ca 0.45 0.31 -0.17 0.00 0.02 0.00 0.00 55.36 55.97 2jjk s GLN 154 Cb 0.35 -3.01 -0.00 0.00 1.00 0.00 0.00 33.01 31.35 2jjk s GLN 154 CO -0.02 0.55 1.19 -1.25 -2.12 0.00 0.00 175.29 173.65 2jjk s PRO 155 N -1.81 2.66 0.23 2.91 0.04 -1.26 -4.72 135.00 133.05 2jjk s PRO 155 Ca 0.33 1.74 0.20 0.00 0.04 0.00 0.00 61.00 63.31 2jjk s PRO 155 Cb -0.15 -1.90 0.93 0.00 0.04 0.00 0.00 34.50 33.43 2jjk s PRO 155 CO 0.18 -1.43 1.62 0.41 0.04 0.00 0.00 177.00 177.82 2jjk n GLY 156 N 0.31 -1.08 0.29 0.56 0.00 -0.90 -1.34 105.19 103.03 2jjk n GLY 156 Ca 0.13 0.10 0.19 0.00 0.00 0.00 0.00 46.02 46.44 2jjk n GLY 156 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jjk h ARG 157 N 0.00 0.00 -0.00 1.61 2.47 -1.66 -2.10 114.38 114.70 2jjk h ARG 157 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jjk h ARG 157 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2jjk h ARG 157 CO 0.00 0.00 -0.43 0.09 0.56 0.00 0.00 179.97 180.19 2jjk n ASN 158 N -2.94 0.73 -4.62 7.04 4.13 -0.45 -4.95 115.26 114.20 2jjk n ASN 158 Ca -0.01 -0.53 -0.51 0.00 1.68 0.00 0.00 54.58 55.20 2jjk n ASN 158 Cb 0.16 0.24 -0.06 0.00 -1.54 0.00 0.00 39.78 38.59 2jjk n ASN 158 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2jjk n LEU 159 N -1.17 2.02 0.08 3.41 4.77 -0.79 -4.64 117.00 120.67 2jjk n LEU 159 Ca 0.08 1.10 -0.20 0.00 -0.03 0.00 0.00 56.01 56.96 2jjk n LEU 159 Cb 0.34 -1.23 -0.15 0.00 -2.33 0.00 0.00 43.42 40.05 2jjk n LEU 159 CO 0.32 -0.83 -0.40 0.58 -1.33 0.00 0.00 177.39 175.73 2jjk h VAL 160 N 3.60 1.09 -1.69 4.08 2.07 -1.22 -3.49 116.25 120.70 2jjk h VAL 160 Ca -0.47 -2.68 0.04 0.00 0.82 0.00 0.00 66.70 64.41 2jjk h VAL 160 Cb 1.32 2.80 -0.22 0.00 -1.52 0.00 0.00 31.29 33.66 2jjk h VAL 160 CO 0.82 0.83 0.43 0.00 0.02 0.00 0.00 177.57 179.68 2jjk s ALA 161 N -2.60 -1.89 0.32 1.67 0.00 -1.17 -4.38 121.76 113.71 2jjk s ALA 161 Ca -0.12 1.55 -0.08 0.00 0.00 0.00 0.00 51.96 53.31 2jjk s ALA 161 Cb 0.06 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.59 2jjk s ALA 161 CO 0.86 -0.32 0.54 0.00 0.00 0.00 0.00 175.76 176.84 2jjk s ALA 162 N -0.98 0.14 0.00 0.00 0.00 -0.62 -0.32 121.76 119.98 2jjk s ALA 162 Ca -0.04 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2jjk s ALA 162 Cb -0.01 1.03 0.00 0.00 0.00 0.00 0.00 23.12 24.14 2jjk s ALA 162 CO 0.03 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.35 2jjk n GLY 163 N -0.50 -1.13 3.42 0.00 0.00 -0.34 -0.67 105.19 105.98 2jjk n GLY 163 Ca -0.02 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.49 -0.10 1.61 -0.85 -0.83 -0.65 117.35 113.03 2jjk s TYR 164 Ca 0.00 0.73 -0.04 0.00 -0.52 0.00 0.00 57.07 57.25 2jjk s TYR 164 Cb 0.00 0.34 -0.04 0.00 0.38 0.00 0.00 41.96 42.64 2jjk s TYR 164 CO 0.00 -0.59 0.04 0.00 -1.52 0.00 0.00 175.55 173.48 2jjk s ALA 165 N -1.71 3.43 -0.18 9.51 0.00 0.12 -0.45 121.76 132.48 2jjk s ALA 165 Ca -0.09 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 2jjk s ALA 165 Cb -0.01 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2jjk s ALA 165 CO 0.04 0.56 -0.12 -1.17 0.00 0.00 0.00 175.76 175.07 2jjk s LEU 166 N -0.79 2.56 -1.15 0.00 2.96 0.16 0.03 118.68 122.45 2jjk s LEU 166 Ca 0.12 -0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 2jjk s LEU 166 Cb -0.12 -1.61 0.26 0.00 0.50 0.00 0.00 46.19 45.22 2jjk s LEU 166 CO 0.03 0.03 1.41 -1.22 -1.32 0.00 0.00 176.35 175.28 2jjk n TYR 167 N 4.44 3.83 -0.22 5.38 4.01 -0.22 -1.03 117.16 133.35 2jjk n TYR 167 Ca -0.19 -3.19 0.00 0.00 -0.16 0.00 0.00 57.90 54.35 2jjk n TYR 167 Cb 0.51 -1.67 0.00 0.00 -0.31 0.00 0.00 39.34 37.87 2jjk n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jjk n GLY 168 N 2.45 2.63 0.37 2.72 0.00 -1.26 -3.04 105.19 109.05 2jjk n GLY 168 Ca 0.29 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.65 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 0.74 -3.18 1.61 4.64 -1.99 -3.41 113.55 111.96 2jjk h SER 169 Ca 0.00 0.03 -0.46 0.00 -0.47 0.00 0.00 61.79 60.89 2jjk h SER 169 Cb 0.00 -0.13 -0.14 0.00 -0.31 0.00 0.00 62.40 61.82 2jjk h SER 169 CO 0.00 0.43 -0.68 0.00 -0.87 0.00 0.00 176.83 175.70 2jjk s ALA 170 N -5.76 2.16 -0.06 5.18 0.00 -1.26 -5.13 121.76 116.89 2jjk s ALA 170 Ca -0.10 -1.82 -0.21 0.00 0.00 0.00 0.00 51.96 49.82 2jjk s ALA 170 Cb 0.21 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 2jjk s ALA 170 CO 0.79 -0.08 0.61 0.99 0.00 0.00 0.00 175.76 178.07 2jjk s THR 171 N -3.09 5.03 -0.02 0.00 2.01 -1.26 -4.52 115.64 113.79 2jjk s THR 171 Ca 0.28 1.26 0.01 0.00 0.31 0.00 0.00 61.69 63.55 2jjk s THR 171 Cb 0.03 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.60 2jjk s THR 171 CO 0.10 0.33 -0.04 -0.32 -0.69 0.00 0.00 174.62 174.00 2jjk s MET 172 N 0.41 0.57 -0.17 4.92 -2.45 -0.19 -1.49 119.30 120.89 2jjk s MET 172 Ca 0.32 -0.12 -0.06 0.00 -1.25 0.00 0.00 55.69 54.58 2jjk s MET 172 Cb -0.17 -0.60 -0.04 0.00 1.25 0.00 0.00 34.83 35.27 2jjk s MET 172 CO 0.16 0.01 0.04 -1.17 1.05 0.00 0.00 175.02 175.10 2jjk s LEU 173 N 0.44 3.67 -0.23 4.11 0.20 0.18 0.38 118.68 127.44 2jjk s LEU 173 Ca -0.05 0.03 -0.03 0.00 0.69 0.00 0.00 54.13 54.76 2jjk s LEU 173 Cb -0.09 -1.92 -0.00 0.00 -0.43 0.00 0.00 46.19 43.75 2jjk s LEU 173 CO -0.00 0.17 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.50 2jjk s VAL 174 N 0.36 3.27 -0.18 1.68 1.01 0.41 0.03 120.40 126.98 2jjk s VAL 174 Ca 0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 2jjk s VAL 174 Cb -0.13 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.73 2jjk s VAL 174 CO 0.01 0.37 -0.16 -0.22 0.00 0.00 0.00 175.10 175.10 2jjk s LEU 175 N 1.45 2.39 -0.20 3.92 2.96 0.74 -1.96 118.68 127.97 2jjk s LEU 175 Ca 0.05 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.37 2jjk s LEU 175 Cb -0.15 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 2jjk s LEU 175 CO -0.04 0.03 -0.01 0.00 -1.32 0.00 0.00 176.35 175.01 2jjk s ALA 176 N 1.16 2.99 0.24 5.97 0.00 0.16 -1.11 121.76 131.17 2jjk s ALA 176 Ca 0.01 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2jjk s ALA 176 Cb -0.14 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 2jjk s ALA 176 CO -0.06 -0.16 0.15 -1.64 0.00 0.00 0.00 175.76 174.05 2jjk s MET 177 N 1.01 1.36 0.50 0.00 -1.94 -0.54 -1.59 119.30 118.11 2jjk s MET 177 Ca 0.01 -1.74 0.38 0.00 -1.71 0.00 0.00 55.69 52.64 2jjk s MET 177 Cb -0.14 0.16 1.54 0.00 2.01 0.00 0.00 34.83 38.40 2jjk s MET 177 CO 0.01 -0.42 1.67 0.22 -0.01 0.00 0.00 175.02 176.49 2jjk h ASP 178 N 2.47 0.11 0.35 3.03 3.58 -1.94 0.56 116.42 124.58 2jjk h ASP 178 Ca -0.34 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2jjk h ASP 178 Cb 1.25 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.34 2jjk h ASP 178 CO 0.52 -0.05 0.00 0.00 -2.88 0.00 0.00 179.24 176.83 2jjk n GLY 180 N 1.10 0.32 3.49 0.00 0.00 0.20 -4.92 105.19 105.38 2jjk n GLY 180 Ca 0.17 -2.27 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.23 3.91 -0.00 1.61 1.01 -1.26 -1.47 120.40 123.97 2jjk s VAL 181 Ca 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2jjk s VAL 181 Cb 0.00 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 2jjk s VAL 181 CO 0.00 0.49 -0.11 0.20 0.00 0.00 0.00 175.10 175.68 2jjk s ASN 182 N 0.44 1.27 -0.15 3.32 -0.87 -0.27 -0.33 114.94 118.36 2jjk s ASN 182 Ca -0.03 -0.24 0.01 0.00 -1.57 0.00 0.00 52.86 51.03 2jjk s ASN 182 Cb -0.14 -0.13 0.02 0.00 -0.02 0.00 0.00 41.25 40.98 2jjk s ASN 182 CO 0.03 0.10 -0.18 0.00 -2.57 0.00 0.00 177.10 174.48 2jjk s PHE 184 N 1.13 2.66 -0.17 0.00 0.08 0.11 -0.99 117.98 120.79 2jjk s PHE 184 Ca -0.01 -0.53 -0.13 0.00 0.12 0.00 0.00 56.93 56.38 2jjk s PHE 184 Cb -0.14 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.56 2jjk s PHE 184 CO -0.07 -0.09 0.25 1.41 -0.10 0.00 0.00 175.22 176.62 2jjk s MET 185 N -0.15 4.24 -0.05 0.44 -2.45 0.52 -0.64 119.30 121.21 2jjk s MET 185 Ca -0.02 0.01 -0.30 0.00 -1.25 0.00 0.00 55.69 54.13 2jjk s MET 185 Cb -0.14 -3.42 -0.03 0.00 1.25 0.00 0.00 34.83 32.49 2jjk s MET 185 CO 0.04 0.25 1.11 -1.17 1.05 0.00 0.00 175.02 176.30 2jjk s LEU 186 N 0.45 4.29 -0.44 4.11 2.96 -0.56 0.19 118.68 129.68 2jjk s LEU 186 Ca 0.14 1.74 -0.17 0.00 -0.22 0.00 0.00 54.13 55.62 2jjk s LEU 186 Cb -0.12 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.04 2jjk s LEU 186 CO 0.02 -0.48 0.45 -0.62 -1.32 0.00 0.00 176.35 174.40 2jjk s ASP 187 N 1.25 6.18 0.00 3.68 -1.08 0.09 -4.64 116.67 122.14 2jjk s ASP 187 Ca 0.53 -0.86 0.23 0.00 -0.52 0.00 0.00 52.55 51.93 2jjk s ASP 187 Cb -0.23 -2.22 1.09 0.00 -1.46 0.00 0.00 42.92 40.10 2jjk s ASP 187 CO 0.23 -0.64 1.75 -0.81 0.52 0.00 0.00 175.17 176.22 2jjk n PRO 188 N 5.58 0.19 0.25 4.34 -0.04 -1.26 -0.17 135.00 143.90 2jjk n PRO 188 Ca -0.08 0.08 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 2jjk n PRO 188 Cb 0.46 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.87 2jjk n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jjk h ALA 189 N 2.97 1.00 0.00 0.55 0.00 -1.96 -3.35 119.26 118.46 2jjk h ALA 189 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jjk h ALA 189 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jjk h ALA 189 CO 0.00 0.01 0.00 0.44 0.00 0.00 0.00 179.25 179.70 2jjk n ILE 190 N -3.10 0.00 -3.49 0.00 -5.35 -0.90 -5.04 119.36 101.49 2jjk n ILE 190 Ca 0.02 -0.13 -0.18 0.00 -0.27 0.00 0.00 62.75 62.19 2jjk n ILE 190 Cb 0.41 1.57 0.08 0.00 -1.74 0.00 0.00 39.64 39.96 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 0.06 -0.36 2.96 3.28 0.00 0.76 -5.00 105.19 106.89 2jjk n GLY 191 Ca 0.00 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 2jjk n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jjk s GLU 192 N -5.51 1.02 -0.27 1.61 2.56 -1.16 -4.98 118.70 111.97 2jjk s GLU 192 Ca 0.03 -0.24 -0.21 0.00 0.00 0.00 0.00 54.97 54.55 2jjk s GLU 192 Cb -0.01 -0.94 -0.01 0.00 2.00 0.00 0.00 34.13 35.16 2jjk s GLU 192 CO 0.74 0.02 0.67 -0.06 -0.56 0.00 0.00 175.26 176.08 2jjk s PHE 193 N 0.56 3.26 -0.20 5.30 0.08 -1.26 -0.74 117.98 124.98 2jjk s PHE 193 Ca -0.09 0.80 -0.06 0.00 0.12 0.00 0.00 56.93 57.69 2jjk s PHE 193 Cb -0.12 -2.95 -0.03 0.00 -0.57 0.00 0.00 43.02 39.34 2jjk s PHE 193 CO 0.01 -0.40 0.04 0.42 -0.10 0.00 0.00 175.22 175.19 2jjk s ILE 194 N 2.63 4.38 -0.01 0.64 -1.09 0.13 -0.91 121.20 126.97 2jjk s ILE 194 Ca 0.28 -0.17 -0.30 0.00 -2.23 0.00 0.00 60.65 58.23 2jjk s ILE 194 Cb -0.15 -2.99 -0.07 0.00 -1.58 0.00 0.00 42.46 37.67 2jjk s ILE 194 CO 0.10 0.42 1.78 -0.22 -1.23 0.00 0.00 174.94 175.79 2jjk s LEU 195 N 0.86 4.37 0.00 2.97 2.96 0.64 -0.35 118.68 130.12 2jjk s LEU 195 Ca 0.03 2.42 0.00 0.00 -0.22 0.00 0.00 54.13 56.35 2jjk s LEU 195 Cb -0.14 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.02 2jjk s LEU 195 CO 0.02 -0.98 0.00 1.33 -1.32 0.00 0.00 176.35 175.41 2jjk n VAL 196 N 5.49 0.00 -3.76 1.68 0.24 -0.16 -4.72 118.33 117.10 2jjk n VAL 196 Ca 0.18 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.26 2jjk n VAL 196 Cb 0.42 -0.47 -0.18 0.00 -1.47 0.00 0.00 33.84 32.15 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 -2.56 1.50 0.05 -1.34 1.01 -1.12 -5.03 116.67 109.18 2jjk s ASP 197 Ca 0.00 -0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.22 2jjk s ASP 197 Cb 0.00 -0.39 -0.04 0.00 1.01 0.00 0.00 42.92 43.50 2jjk s ASP 197 CO 0.00 -0.20 0.09 -0.54 0.21 0.00 0.00 175.17 174.73 2jjk s LYS 198 N 2.00 3.00 -0.92 8.23 1.02 -1.26 -0.79 119.74 131.01 2jjk s LYS 198 Ca 0.05 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.28 2jjk s LYS 198 Cb -0.12 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.41 2jjk s LYS 198 CO -0.05 0.59 0.30 -3.47 -0.92 0.00 0.00 175.35 171.80 2jjk n ASP 199 N 0.65 -1.56 -4.75 2.83 -0.08 -0.86 -4.80 116.55 107.98 2jjk n ASP 199 Ca -0.09 -0.90 -0.41 0.00 -1.51 0.00 0.00 54.79 51.88 2jjk n ASP 199 Cb 0.52 -1.09 -0.04 0.00 2.34 0.00 0.00 41.12 42.85 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 -3.98 3.53 -0.00 5.18 1.01 0.55 -4.84 120.40 121.85 2jjk s VAL 200 Ca 0.22 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.65 2jjk s VAL 200 Cb -0.12 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2jjk s VAL 200 CO 0.68 0.27 -0.21 -0.54 0.00 0.00 0.00 175.10 175.30 2jjk s LYS 201 N -0.76 1.61 0.40 2.72 -0.14 -1.26 -4.39 119.74 117.92 2jjk s LYS 201 Ca 0.49 -0.79 -0.23 0.00 -1.36 0.00 0.00 55.97 54.09 2jjk s LYS 201 Cb -0.32 -1.60 -0.11 0.00 -1.68 0.00 0.00 37.83 34.12 2jjk s LYS 201 CO 0.39 0.43 0.95 -1.50 -0.76 0.00 0.00 175.35 174.86 2jjk s ILE 202 N -0.56 4.33 0.45 2.17 2.07 0.54 -5.01 121.20 125.19 2jjk s ILE 202 Ca 0.08 1.59 -0.24 0.00 -1.41 0.00 0.00 60.65 60.67 2jjk s ILE 202 Cb -0.08 -3.73 -0.09 0.00 0.13 0.00 0.00 42.46 38.69 2jjk s ILE 202 CO -0.00 -0.17 1.15 0.29 -1.91 0.00 0.00 174.94 174.29 2jjk n LYS 203 N -0.26 1.57 0.04 3.50 5.02 -1.26 -4.89 118.16 121.89 2jjk n LYS 203 Ca 0.05 0.57 0.01 0.00 -2.02 0.00 0.00 58.31 56.92 2jjk n LYS 203 Cb 0.53 -2.25 0.33 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.64 0.42 -3.02 1.97 3.64 -1.95 -3.39 116.57 115.88 2jjk h LYS 204 Ca -0.47 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 58.66 2jjk h LYS 204 Cb 1.32 -0.06 -0.26 0.00 -0.41 0.00 0.00 32.23 32.82 2jjk h LYS 204 CO 0.57 0.49 -0.38 0.21 -2.27 0.00 0.00 179.45 178.07 2jjk s LYS 205 N -4.88 0.33 0.00 1.90 2.20 -1.26 -1.55 119.74 116.47 2jjk s LYS 205 Ca -0.07 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 2jjk s LYS 205 Cb 0.15 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 2jjk s LYS 205 CO 0.75 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 176.10 2jjk n GLY 206 N 3.06 5.76 0.54 5.54 0.00 -1.26 -4.76 105.19 114.06 2jjk n GLY 206 Ca -0.14 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.05 0.00 -4.11 1.61 5.02 -1.26 -4.77 118.16 114.61 2jjk n LYS 207 Ca 0.00 -0.69 -0.16 0.00 -2.02 0.00 0.00 58.31 55.44 2jjk n LYS 207 Cb 0.00 -0.30 -0.15 0.00 -0.02 0.00 0.00 35.03 34.56 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 0.00 0.35 0.03 -0.18 1.01 -1.26 -0.52 121.20 120.63 2jjk s ILE 208 Ca 0.01 -0.16 0.09 0.00 0.00 0.00 0.00 60.65 60.58 2jjk s ILE 208 Cb 0.01 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 2jjk s ILE 208 CO -0.01 0.11 -0.25 -0.72 0.00 0.00 0.00 174.94 174.07 2jjk s TYR 209 N 0.04 2.22 -0.17 3.97 1.13 -0.58 -1.56 117.35 122.41 2jjk s TYR 209 Ca -0.00 -0.41 -0.02 0.00 -1.41 0.00 0.00 57.07 55.23 2jjk s TYR 209 Cb -0.03 -1.35 0.05 0.00 -1.10 0.00 0.00 41.96 39.53 2jjk s TYR 209 CO -0.00 0.09 0.01 0.45 -2.51 0.00 0.00 175.55 173.58 2jjk s SER 210 N -1.10 2.69 -0.02 -0.18 0.15 0.44 -2.88 113.70 112.80 2jjk s SER 210 Ca 0.11 -0.67 -0.29 0.00 0.70 0.00 0.00 55.95 55.80 2jjk s SER 210 Cb -0.10 -0.66 0.11 0.00 -1.71 0.00 0.00 66.02 63.66 2jjk s SER 210 CO 0.01 -0.26 0.93 -1.48 1.20 0.00 0.00 173.24 173.65 2jjk s LEU 211 N 1.81 -0.33 -0.76 3.45 2.34 -1.26 0.61 118.68 124.54 2jjk s LEU 211 Ca 0.00 -0.02 -0.26 0.00 0.06 0.00 0.00 54.13 53.91 2jjk s LEU 211 Cb -0.16 1.95 0.01 0.00 -0.56 0.00 0.00 46.19 47.43 2jjk s LEU 211 CO -0.07 -0.58 1.57 0.21 -1.06 0.00 0.00 176.35 176.41 2jjk s ASN 212 N -2.47 5.80 0.00 1.48 3.84 -1.26 -4.83 114.94 117.50 2jjk s ASN 212 Ca 0.06 -0.37 0.21 0.00 0.21 0.00 0.00 52.86 52.98 2jjk s ASN 212 Cb -0.01 -2.55 1.28 0.00 -0.55 0.00 0.00 41.25 39.41 2jjk s ASN 212 CO -0.08 -2.07 1.70 -0.62 -2.79 0.00 0.00 177.10 173.24 2jjk n GLU 213 N 9.19 0.79 0.25 0.43 1.02 -1.26 -2.76 120.64 128.30 2jjk n GLU 213 Ca 0.17 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.48 2jjk n GLU 213 Cb 0.50 -1.42 0.81 0.00 -0.02 0.00 0.00 31.44 31.31 2jjk n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2jjk h GLY 214 N 4.07 0.00 -2.57 0.62 0.00 -2.06 -1.08 103.07 102.06 2jjk h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jjk h GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 2jjk n TYR 215 N -2.80 1.12 -0.35 5.60 4.01 -1.11 -4.62 117.16 119.00 2jjk n TYR 215 Ca -0.01 -0.48 0.26 0.00 -0.16 0.00 0.00 57.90 57.52 2jjk n TYR 215 Cb 0.17 -0.14 0.51 0.00 -0.31 0.00 0.00 39.34 39.58 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 4.02 2.11 0.00 -0.72 0.00 -1.42 0.36 119.26 123.61 2jjk h ALA 216 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jjk h ALA 216 Cb 1.12 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2jjk h ALA 216 CO 0.13 -0.72 0.00 -0.22 0.00 0.00 0.00 179.25 178.44 2jjk h LYS 217 N 0.28 0.00 -0.01 0.00 3.64 -1.85 -3.00 116.57 115.63 2jjk h LYS 217 Ca 0.74 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.12 2jjk h LYS 217 Cb 1.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 2jjk h LYS 217 CO -0.55 0.00 -0.60 -0.25 -2.27 0.00 0.00 179.45 175.78 2jjk n ASP 218 N -3.02 1.48 -4.76 4.20 9.92 0.12 -4.98 116.55 119.52 2jjk n ASP 218 Ca 0.00 -1.24 -0.40 0.00 -0.53 0.00 0.00 54.79 52.62 2jjk n ASP 218 Cb 0.26 0.68 -0.04 0.00 -0.64 0.00 0.00 41.12 41.38 2jjk n ASP 218 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2jjk s PHE 219 N -2.44 3.44 0.82 1.24 0.08 -1.11 -4.64 117.98 115.38 2jjk s PHE 219 Ca 0.13 1.64 -0.11 0.00 0.12 0.00 0.00 56.93 58.71 2jjk s PHE 219 Cb 0.15 -3.35 0.09 0.00 -0.57 0.00 0.00 43.02 39.34 2jjk s PHE 219 CO 0.61 -0.82 1.13 0.16 -0.10 0.00 0.00 175.22 176.19 2jjk s ASP 220 N -0.86 3.87 0.53 1.36 1.47 -1.26 -4.81 116.67 116.96 2jjk s ASP 220 Ca 0.47 2.03 0.27 0.00 1.18 0.00 0.00 52.55 56.49 2jjk s ASP 220 Cb -0.33 -2.55 1.51 0.00 -0.34 0.00 0.00 42.92 41.21 2jjk s ASP 220 CO 0.42 -2.47 2.12 -0.65 0.68 0.00 0.00 175.17 175.27 2jjk h PRO 221 N -1.29 0.00 0.54 2.11 0.11 -1.99 -2.42 132.00 129.07 2jjk h PRO 221 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2jjk h PRO 221 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 2jjk h PRO 221 CO 0.47 0.09 -0.26 0.00 -0.21 0.00 0.00 178.00 178.10 2jjk h ALA 222 N 1.91 -0.72 -0.61 -0.75 0.00 -1.91 0.26 119.26 117.44 2jjk h ALA 222 Ca -0.00 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.82 2jjk h ALA 222 Cb 0.24 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 2jjk h ALA 222 CO 0.01 -0.85 0.23 0.28 0.00 0.00 0.00 179.25 178.92 2jjk h VAL 223 N -0.83 0.77 -0.38 0.00 2.07 -1.89 -0.63 116.25 115.35 2jjk h VAL 223 Ca -0.07 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2jjk h VAL 223 Cb 0.60 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2jjk h VAL 223 CO 0.12 0.07 0.19 0.74 0.02 0.00 0.00 177.57 178.71 2jjk h THR 224 N 0.41 0.98 -0.44 2.57 2.02 -1.18 -1.60 112.91 115.67 2jjk h THR 224 Ca 0.31 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 2jjk h THR 224 Cb 0.38 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2jjk h THR 224 CO -0.31 0.07 -0.01 -0.08 0.37 0.00 0.00 175.52 175.56 2jjk h GLU 225 N 0.39 0.78 -0.47 6.66 4.81 -0.61 -2.14 114.58 124.00 2jjk h GLU 225 Ca 0.16 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2jjk h GLU 225 Cb 0.07 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2jjk h GLU 225 CO -0.11 0.86 0.23 -0.92 -0.73 0.00 0.00 179.01 178.34 2jjk h TYR 226 N 0.62 0.43 -0.09 0.92 3.20 -0.68 -0.42 116.97 120.95 2jjk h TYR 226 Ca 0.12 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.92 2jjk h TYR 226 Cb 0.51 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2jjk h TYR 226 CO 0.04 0.21 -0.38 0.82 -1.64 0.00 0.00 178.16 177.21 2jjk h ILE 227 N 0.46 1.29 -0.40 1.81 1.08 -1.27 -1.96 117.51 118.52 2jjk h ILE 227 Ca 0.21 -1.42 -0.10 0.00 -0.39 0.00 0.00 64.86 63.15 2jjk h ILE 227 Cb 0.12 1.65 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 2jjk h ILE 227 CO -0.15 0.42 -0.15 -0.61 -0.69 0.00 0.00 178.15 176.97 2jjk h GLN 228 N 0.16 0.74 -0.64 2.37 5.75 -0.67 -2.28 115.11 120.54 2jjk h GLN 228 Ca 0.02 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.25 2jjk h GLN 228 Cb 0.75 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.22 2jjk h GLN 228 CO 0.06 0.86 0.38 0.00 -2.65 0.00 0.00 178.83 177.47 2jjk h ARG 229 N 0.67 0.87 0.00 1.69 3.08 -0.44 0.31 114.38 120.55 2jjk h ARG 229 Ca 0.11 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 2jjk h ARG 229 Cb 0.63 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2jjk h ARG 229 CO 0.04 0.61 -0.52 0.87 -1.07 0.00 0.00 179.97 179.91 2jjk h LYS 230 N 0.88 0.00 0.05 0.04 1.79 -0.84 -2.78 116.57 115.71 2jjk h LYS 230 Ca 0.23 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.34 2jjk h LYS 230 Cb -0.02 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.58 2jjk h LYS 230 CO -0.04 0.52 -2.14 1.63 -1.08 0.00 0.00 179.45 178.33 2jjk n LYS 231 N -3.58 0.69 -3.46 3.15 5.02 -0.92 -0.85 118.16 118.21 2jjk n LYS 231 Ca -0.00 0.19 -0.27 0.00 -2.02 0.00 0.00 58.31 56.22 2jjk n LYS 231 Cb 0.60 -1.64 -0.09 0.00 -0.02 0.00 0.00 35.03 33.88 2jjk n LYS 231 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2jjk n PHE 232 N -3.22 2.20 -1.75 2.13 3.72 0.08 -4.65 117.46 115.97 2jjk n PHE 232 Ca -0.33 -3.97 -0.42 0.00 -0.05 0.00 0.00 57.45 52.68 2jjk n PHE 232 Cb 1.05 -0.44 -0.02 0.00 -0.94 0.00 0.00 39.48 39.13 2jjk n PHE 232 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2jjk s PRO 233 N -1.72 4.11 0.46 -1.08 0.02 -1.05 -4.54 135.00 131.20 2jjk s PRO 233 Ca 0.35 2.60 0.22 0.00 0.02 0.00 0.00 61.00 64.19 2jjk s PRO 233 Cb 0.10 -3.03 1.13 0.00 0.02 0.00 0.00 34.50 32.72 2jjk s PRO 233 CO -0.09 -0.67 1.96 -1.35 -0.33 0.00 0.00 177.00 176.52 2jjk h PRO 234 N 5.26 0.00 -0.47 5.54 0.11 -1.93 -1.79 132.00 138.73 2jjk h PRO 234 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jjk h PRO 234 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2jjk h PRO 234 CO 0.83 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.43 2jjk n ASP 235 N -3.78 2.57 -1.97 -2.05 5.75 -1.26 -4.92 116.55 110.89 2jjk n ASP 235 Ca -0.02 -1.99 -0.13 0.00 -0.01 0.00 0.00 54.79 52.64 2jjk n ASP 235 Cb 0.32 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.90 -3.88 -3.54 -1.12 4.13 -0.67 -5.00 115.26 106.07 2jjk n ASN 236 Ca 0.16 0.24 -0.31 0.00 1.68 0.00 0.00 54.58 56.36 2jjk n ASN 236 Cb 0.41 -3.42 0.26 0.00 -1.54 0.00 0.00 39.78 35.48 2jjk n ASN 236 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2jjk s SER 237 N -2.08 0.19 0.36 6.41 1.04 -1.26 -4.99 113.70 113.36 2jjk s SER 237 Ca 0.00 0.55 -0.27 0.00 0.48 0.00 0.00 55.95 56.71 2jjk s SER 237 Cb 0.00 -0.71 -0.09 0.00 0.10 0.00 0.00 66.02 65.32 2jjk s SER 237 CO 0.00 -4.56 1.18 0.00 0.98 0.00 0.00 173.24 170.83 2jjk s ALA 238 N -2.88 3.28 0.54 5.32 0.00 -1.26 -4.61 121.76 122.15 2jjk s ALA 238 Ca 0.72 1.00 -0.20 0.00 0.00 0.00 0.00 51.96 53.48 2jjk s ALA 238 Cb -0.08 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 2jjk s ALA 238 CO 0.56 -0.45 1.16 -2.14 0.00 0.00 0.00 175.76 174.88 2jjk s PRO 239 N -2.01 3.35 0.59 0.00 0.02 -1.26 -4.89 135.00 130.80 2jjk s PRO 239 Ca 0.52 1.70 -0.18 0.00 0.02 0.00 0.00 61.00 63.07 2jjk s PRO 239 Cb -0.32 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.09 2jjk s PRO 239 CO 0.42 -0.87 1.12 0.71 -0.33 0.00 0.00 177.00 178.04 2jjk s TYR 240 N -1.68 2.66 0.54 6.54 1.51 -0.03 -5.02 117.35 121.87 2jjk s TYR 240 Ca 0.72 1.55 -0.06 0.00 -1.01 0.00 0.00 57.07 58.26 2jjk s TYR 240 Cb -0.27 -3.24 -0.02 0.00 -0.11 0.00 0.00 41.96 38.33 2jjk s TYR 240 CO 0.30 -1.60 0.86 0.20 -1.11 0.00 0.00 175.55 174.20 2jjk s GLY 241 N -2.11 1.55 -0.09 0.71 0.00 0.32 -4.83 107.32 102.87 2jjk s GLY 241 Ca 0.70 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.92 2jjk s GLY 241 CO 0.33 -0.30 -0.13 0.00 0.00 0.00 0.00 173.10 172.99 2jjk s ALA 242 N -2.89 2.65 0.00 3.20 0.00 -1.26 -1.53 121.76 121.94 2jjk s ALA 242 Ca 0.51 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2jjk s ALA 242 Cb -0.10 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 2jjk s ALA 242 CO 0.46 0.39 -0.03 1.03 0.00 0.00 0.00 175.76 177.62 2jjk s ARG 243 N -0.16 0.20 -0.35 0.00 1.81 -1.14 -4.97 118.95 114.34 2jjk s ARG 243 Ca -0.00 -0.13 0.06 0.00 -1.72 0.00 0.00 55.73 53.93 2jjk s ARG 243 Cb -0.13 -0.17 0.18 0.00 -0.45 0.00 0.00 34.95 34.38 2jjk s ARG 243 CO 0.03 0.04 0.56 -0.47 -0.68 0.00 0.00 175.30 174.79 2jjk s TYR 244 N -0.17 -1.52 0.14 -0.53 5.04 -1.26 -4.11 117.35 114.95 2jjk s TYR 244 Ca -0.00 0.40 -0.12 0.00 -2.44 0.00 0.00 57.07 54.91 2jjk s TYR 244 Cb -0.02 0.17 -0.02 0.00 0.35 0.00 0.00 41.96 42.45 2jjk s TYR 244 CO -0.00 -1.10 1.53 0.28 -1.34 0.00 0.00 175.55 174.91 2jjk h VAL 245 N 5.47 1.27 0.00 3.14 2.07 -1.97 -3.47 116.25 122.76 2jjk h VAL 245 Ca 0.01 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.20 2jjk h VAL 245 Cb 1.16 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2jjk h VAL 245 CO 0.15 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.80 2jjk n GLY 246 N -0.10 0.72 2.90 2.17 0.00 -1.26 -5.04 105.19 104.59 2jjk n GLY 246 Ca -0.01 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.24 1.95 0.14 1.61 0.15 -1.26 -4.93 113.70 109.12 2jjk s SER 247 Ca 0.00 -0.26 -0.13 0.00 0.70 0.00 0.00 55.95 56.26 2jjk s SER 247 Cb 0.00 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 2jjk s SER 247 CO 0.00 -0.10 1.58 -0.03 1.20 0.00 0.00 173.24 175.89 2jjk h MET 248 N 7.96 0.82 -0.56 5.44 4.05 -1.91 -1.48 114.93 129.25 2jjk h MET 248 Ca -0.29 -0.28 0.05 0.00 -0.28 0.00 0.00 59.70 58.91 2jjk h MET 248 Cb 1.14 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.82 2jjk h MET 248 CO 0.40 0.89 0.28 0.28 0.23 0.00 0.00 176.91 179.00 2jjk h VAL 249 N 0.67 0.94 -0.27 -5.77 2.07 -1.94 0.12 116.25 112.07 2jjk h VAL 249 Ca 0.13 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2jjk h VAL 249 Cb 0.54 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2jjk h VAL 249 CO 0.03 0.10 0.16 0.00 0.02 0.00 0.00 177.57 177.88 2jjk h ALA 250 N 1.31 0.35 -0.23 1.67 0.00 -1.73 0.12 119.26 120.75 2jjk h ALA 250 Ca 0.25 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2jjk h ALA 250 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jjk h ALA 250 CO -0.18 -0.14 -0.30 -0.44 0.00 0.00 0.00 179.25 178.19 2jjk h ASP 251 N 0.34 0.66 -0.60 0.00 3.32 -1.08 -2.47 116.42 116.58 2jjk h ASP 251 Ca 0.10 -0.50 -0.06 0.00 0.02 0.00 0.00 57.03 56.58 2jjk h ASP 251 Cb 0.03 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2jjk h ASP 251 CO -0.02 1.03 0.14 0.58 -1.72 0.00 0.00 179.24 179.25 2jjk h VAL 252 N 0.30 1.25 0.07 -1.35 2.07 -0.72 -1.69 116.25 116.18 2jjk h VAL 252 Ca 0.03 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2jjk h VAL 252 Cb 0.87 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2jjk h VAL 252 CO 0.07 0.34 -0.07 -0.74 0.02 0.00 0.00 177.57 177.19 2jjk h HIS 253 N 0.88 -0.19 -0.64 1.57 -0.00 -0.98 0.61 115.15 116.41 2jjk h HIS 253 Ca 0.19 0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.69 2jjk h HIS 253 Cb 0.36 0.07 -0.10 0.00 -0.00 0.00 0.00 27.41 27.75 2jjk h HIS 253 CO 0.03 -0.12 0.08 -0.09 -0.00 0.00 0.00 177.93 177.83 2jjk h ARG 254 N -0.16 0.18 -0.74 5.26 2.43 -1.39 0.45 114.38 120.42 2jjk h ARG 254 Ca 0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2jjk h ARG 254 Cb 0.16 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 2jjk h ARG 254 CO -0.03 0.12 0.44 1.15 -1.51 0.00 0.00 179.97 180.14 2jjk h THR 255 N 0.19 1.21 -0.42 0.20 2.02 -0.72 0.62 112.91 116.02 2jjk h THR 255 Ca 0.34 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2jjk h THR 255 Cb 0.56 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2jjk h THR 255 CO -0.49 0.22 0.19 0.25 0.37 0.00 0.00 175.52 176.06 2jjk h LEU 256 N 1.01 0.57 0.01 2.58 5.85 -0.14 0.16 115.31 125.34 2jjk h LEU 256 Ca 0.26 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2jjk h LEU 256 Cb -0.02 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 40.87 2jjk h LEU 256 CO -0.05 0.56 -0.31 0.58 -0.34 0.00 0.00 178.44 178.88 2jjk h VAL 257 N 0.54 1.55 -0.00 1.05 2.07 -0.18 -3.36 116.25 117.91 2jjk h VAL 257 Ca 0.14 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.64 2jjk h VAL 257 Cb 0.16 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2jjk h VAL 257 CO -0.01 0.56 -0.91 -1.22 0.02 0.00 0.00 177.57 176.00 2jjk n TYR 258 N -4.45 0.00 0.00 1.57 4.01 0.21 -4.89 117.16 113.60 2jjk n TYR 258 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2jjk n TYR 258 Cb 0.54 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 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 1.49 -0.83 0.00 2.72 0.00 0.55 -4.69 105.19 104.43 2jjk n GLY 259 Ca 0.05 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.89 0.28 3.08 -0.02 0.00 -1.26 -4.57 105.19 101.82 2jjk n GLY 260 Ca 0.00 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.00 -0.05 -0.61 2.07 -0.60 -0.46 121.20 121.54 2jjk s ILE 261 Ca 0.00 0.01 0.06 0.00 -1.41 0.00 0.00 60.65 59.31 2jjk s ILE 261 Cb 0.00 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.28 2jjk s ILE 261 CO 0.00 0.00 -0.23 0.12 -1.91 0.00 0.00 174.94 172.92 2jjk s PHE 262 N 0.19 2.46 -0.03 3.50 5.36 0.73 -0.42 117.98 129.77 2jjk s PHE 262 Ca -0.01 -0.56 0.01 0.00 -0.96 0.00 0.00 56.93 55.41 2jjk s PHE 262 Cb -0.02 -1.58 0.02 0.00 -0.34 0.00 0.00 43.02 41.10 2jjk s PHE 262 CO -0.00 -0.11 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.11 2jjk s LEU 263 N -0.35 1.39 -0.50 6.12 1.02 0.20 -1.57 118.68 124.99 2jjk s LEU 263 Ca 0.02 -0.08 0.04 0.00 0.02 0.00 0.00 54.13 54.13 2jjk s LEU 263 Cb -0.12 -0.33 0.17 0.00 0.02 0.00 0.00 46.19 45.93 2jjk s LEU 263 CO 0.02 -0.05 0.39 0.00 0.02 0.00 0.00 176.35 176.73 2jjk n TYR 264 N 3.88 0.29 -1.27 0.29 4.19 -0.51 -4.32 117.16 119.72 2jjk n TYR 264 Ca -0.24 -3.60 -0.29 0.00 3.31 0.00 0.00 57.90 57.08 2jjk n TYR 264 Cb 0.52 0.00 0.15 0.00 0.49 0.00 0.00 39.34 40.50 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 -0.40 0.91 0.48 2.98 0.05 -1.26 -2.60 135.00 135.16 2jjk s PRO 265 Ca 0.31 0.58 -0.24 0.00 0.05 0.00 0.00 61.00 61.70 2jjk s PRO 265 Cb 0.02 -1.79 -0.08 0.00 0.05 0.00 0.00 34.50 32.70 2jjk s PRO 265 CO -0.19 -2.42 1.30 0.00 0.05 0.00 0.00 177.00 175.73 2jjk n ALA 266 N -3.97 1.40 -2.31 8.56 0.00 -1.26 -4.56 120.51 118.37 2jjk n ALA 266 Ca 0.06 0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.51 2jjk n ALA 266 Cb 0.57 -2.30 -0.09 0.00 0.00 0.00 0.00 19.45 17.63 2jjk n ALA 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jjk s ASN 267 N -0.70 1.57 0.43 0.00 2.20 -0.35 -4.79 114.94 113.29 2jjk s ASN 267 Ca 0.66 -1.66 0.08 0.00 -0.94 0.00 0.00 52.86 51.00 2jjk s ASN 267 Cb -0.46 0.49 0.92 0.00 -2.00 0.00 0.00 41.25 40.20 2jjk s ASN 267 CO 0.54 -0.98 2.07 0.11 -2.94 0.00 0.00 177.10 175.90 2jjk h LYS 268 N 2.18 0.46 0.00 3.55 1.57 -1.97 0.59 116.57 122.96 2jjk h LYS 268 Ca -0.30 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.30 2jjk h LYS 268 Cb 1.24 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 2jjk h LYS 268 CO 0.44 0.31 -0.75 0.87 -0.57 0.00 0.00 179.45 179.75 2jjk h LYS 269 N 0.47 0.00 -2.45 3.15 1.57 -1.99 -3.39 116.57 113.93 2jjk h LYS 269 Ca 0.13 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.31 2jjk h LYS 269 Cb -0.05 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.86 2jjk h LYS 269 CO -0.03 0.75 -0.81 0.43 -0.57 0.00 0.00 179.45 179.22 2jjk n SER 270 N -3.51 1.55 0.22 0.86 7.64 0.09 -4.95 113.62 115.53 2jjk n SER 270 Ca -0.00 -2.91 0.15 0.00 1.01 0.00 0.00 58.87 57.12 2jjk n SER 270 Cb 0.76 -0.65 0.60 0.00 -1.01 0.00 0.00 64.21 63.91 2jjk n SER 270 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2jjk h PRO 271 N 4.90 0.00 -0.70 1.43 0.13 -1.48 0.56 132.00 136.84 2jjk h PRO 271 Ca 0.18 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.14 2jjk h PRO 271 Cb 0.81 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.83 2jjk h PRO 271 CO 0.59 0.00 0.21 0.09 -0.23 0.00 0.00 178.00 178.66 2jjk n ASN 272 N -2.79 5.03 -0.13 1.44 5.03 -1.26 -4.76 115.26 117.83 2jjk n ASN 272 Ca 0.01 -3.17 0.02 0.00 0.87 0.00 0.00 54.58 52.31 2jjk n ASN 272 Cb 0.29 -0.73 -0.01 0.00 -1.02 0.00 0.00 39.78 38.31 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 -0.00 -1.80 0.07 7.41 0.00 0.04 -2.92 105.19 107.99 2jjk n GLY 273 Ca 0.38 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.26 0.38 -2.21 1.61 3.00 -1.25 -4.62 118.16 112.82 2jjk n LYS 274 Ca -0.00 0.08 -0.33 0.00 -0.00 0.00 0.00 58.31 58.06 2jjk n LYS 274 Cb 0.06 -1.29 -0.01 0.00 0.00 0.00 0.00 35.03 33.79 2jjk n LYS 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jjk s LEU 275 N -5.83 3.58 -0.10 3.14 1.43 -1.24 -4.82 118.68 114.84 2jjk s LEU 275 Ca -0.19 1.77 -0.21 0.00 -1.03 0.00 0.00 54.13 54.47 2jjk s LEU 275 Cb 0.05 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 2jjk s LEU 275 CO 0.33 -0.96 0.61 -0.13 0.23 0.00 0.00 176.35 176.44 2jjk s ARG 276 N -3.94 4.38 0.09 1.70 1.81 -1.26 -0.60 118.95 121.13 2jjk s ARG 276 Ca 0.63 0.69 -0.23 0.00 -1.72 0.00 0.00 55.73 55.10 2jjk s ARG 276 Cb -0.14 -3.46 -0.14 0.00 -0.45 0.00 0.00 34.95 30.76 2jjk s ARG 276 CO 0.33 0.07 1.74 1.25 -0.68 0.00 0.00 175.30 178.00 2jjk h LEU 277 N 6.89 -0.03 -0.45 2.53 5.85 -1.36 -0.63 115.31 128.11 2jjk h LEU 277 Ca -0.40 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 2jjk h LEU 277 Cb 1.18 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2jjk h LEU 277 CO 0.76 -0.01 0.03 -0.07 -0.34 0.00 0.00 178.44 178.81 2jjk h LEU 278 N -0.01 0.75 -1.79 2.25 3.38 -1.78 0.58 115.31 118.69 2jjk h LEU 278 Ca 0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2jjk h LEU 278 Cb 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2jjk h LEU 278 CO -0.02 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.36 2jjk n TYR 279 N -4.42 0.00 0.01 1.13 4.11 -1.24 -4.42 117.16 112.32 2jjk n TYR 279 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 57.90 57.68 2jjk n TYR 279 Cb 0.28 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.59 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 -0.22 0.00 0.26 -3.48 1.02 -0.49 -4.12 120.64 113.61 2jjk n GLU 280 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 2jjk n GLU 280 Cb 0.20 -0.07 -0.08 0.00 -0.02 0.00 0.00 31.44 31.46 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 -0.85 -1.06 -0.67 0.00 -0.26 -1.10 0.81 115.58 112.45 2jjk h ASN 282 Ca -0.04 0.13 0.07 0.00 -0.56 0.00 0.00 56.30 55.90 2jjk h ASN 282 Cb 0.75 0.41 -0.06 0.00 -1.06 0.00 0.00 38.32 38.36 2jjk h ASN 282 CO -0.04 -0.42 0.35 -0.65 -1.06 0.00 0.00 177.43 175.61 2jjk h PRO 283 N -0.54 0.62 -0.61 0.81 0.11 -1.77 -0.40 132.00 130.22 2jjk h PRO 283 Ca 0.05 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 2jjk h PRO 283 Cb 0.60 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 2jjk h PRO 283 CO -0.26 0.41 0.03 0.52 -0.21 0.00 0.00 178.00 178.50 2jjk h MET 284 N 0.64 1.05 -0.48 1.05 2.86 -1.27 -1.29 114.93 117.49 2jjk h MET 284 Ca 0.31 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2jjk h MET 284 Cb 0.25 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2jjk h MET 284 CO -0.21 1.00 0.05 0.00 1.06 0.00 0.00 176.91 178.81 2jjk h ALA 285 N 1.06 1.19 -0.15 6.32 0.00 -0.42 0.82 119.26 128.08 2jjk h ALA 285 Ca 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2jjk h ALA 285 Cb 0.51 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jjk h ALA 285 CO 0.02 0.54 -0.03 -0.92 0.00 0.00 0.00 179.25 178.86 2jjk h TYR 286 N 0.72 0.31 -0.34 0.00 3.20 -0.82 0.12 116.97 120.15 2jjk h TYR 286 Ca 0.15 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2jjk h TYR 286 Cb 0.37 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2jjk h TYR 286 CO 0.02 0.54 0.22 0.28 -1.64 0.00 0.00 178.16 177.58 2jjk h VAL 287 N -0.01 1.10 0.06 1.81 2.07 -0.95 -1.28 116.25 119.05 2jjk h VAL 287 Ca 0.04 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.37 2jjk h VAL 287 Cb 0.44 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2jjk h VAL 287 CO 0.01 0.10 -0.16 0.24 0.02 0.00 0.00 177.57 177.78 2jjk h MET 288 N 0.45 -0.28 -0.58 1.57 2.86 -0.75 -2.02 114.93 116.18 2jjk h MET 288 Ca 0.12 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2jjk h MET 288 Cb -0.02 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 2jjk h MET 288 CO -0.03 -0.19 0.22 0.93 1.06 0.00 0.00 176.91 178.91 2jjk h GLU 289 N -0.29 0.85 0.00 1.72 5.08 -0.54 0.31 114.58 121.71 2jjk h GLU 289 Ca 0.03 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2jjk h GLU 289 Cb 0.33 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2jjk h GLU 289 CO -0.11 0.71 -0.16 0.87 -1.00 0.00 0.00 179.01 179.31 2jjk h LYS 290 N 0.83 0.00 -0.64 2.33 1.79 -1.02 -2.19 116.57 117.69 2jjk h LYS 290 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2jjk h LYS 290 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2jjk h LYS 290 CO -0.02 0.16 0.00 0.00 -1.08 0.00 0.00 179.45 178.52 2jjk n ALA 291 N -2.27 2.40 -0.44 3.86 0.00 -0.52 -4.52 120.51 119.02 2jjk n ALA 291 Ca -0.01 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2jjk n ALA 291 Cb 0.30 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.54 0.77 0.17 0.00 0.00 -0.82 -0.34 105.19 106.51 2jjk n GLY 292 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.37 1.99 3.19 -0.02 0.00 0.99 -4.47 105.19 104.49 2jjk n GLY 293 Ca 0.00 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.11 0.88 -0.11 1.61 1.00 -0.66 -3.83 119.30 116.08 2jjk s MET 294 Ca 0.03 -1.25 -0.05 0.00 0.00 0.00 0.00 55.69 54.41 2jjk s MET 294 Cb -0.00 -0.47 0.05 0.00 0.00 0.00 0.00 34.83 34.41 2jjk s MET 294 CO 0.02 0.06 0.25 0.00 0.00 0.00 0.00 175.02 175.35 2jjk s ALA 295 N -2.88 -0.57 0.10 3.03 0.00 -1.26 -1.63 121.76 118.54 2jjk s ALA 295 Ca 0.09 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.08 2jjk s ALA 295 Cb 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 2jjk s ALA 295 CO -0.01 -0.33 -0.10 -0.08 0.00 0.00 0.00 175.76 175.24 2jjk s THR 296 N 1.59 0.94 -1.14 0.00 -1.32 0.72 -1.51 115.64 114.93 2jjk s THR 296 Ca -0.06 -1.63 0.27 0.00 -1.21 0.00 0.00 61.69 59.07 2jjk s THR 296 Cb -0.11 -1.35 0.20 0.00 -1.51 0.00 0.00 72.50 69.73 2jjk s THR 296 CO -0.09 -0.55 1.72 0.35 -2.21 0.00 0.00 174.62 173.84 2jjk n THR 297 N 0.58 0.00 0.00 5.08 -2.24 -0.11 0.06 114.28 117.66 2jjk n THR 297 Ca -0.16 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2jjk n THR 297 Cb 0.58 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2jjk n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jjk n GLY 298 N 1.45 2.87 0.06 3.38 0.00 -1.26 -4.66 105.19 107.03 2jjk n GLY 298 Ca 0.08 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 0.67 -3.54 1.61 5.02 -1.26 -4.97 118.16 115.69 2jjk n LYS 299 Ca 0.00 -0.08 -0.10 0.00 -2.02 0.00 0.00 58.31 56.11 2jjk n LYS 299 Cb 0.00 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.41 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 -3.08 0.75 0.22 1.97 -1.05 -1.26 -5.13 118.70 111.12 2jjk s GLU 300 Ca -0.08 -0.04 -0.32 0.00 -0.15 0.00 0.00 54.97 54.38 2jjk s GLU 300 Cb 0.10 0.35 -0.13 0.00 -0.44 0.00 0.00 34.13 34.01 2jjk s GLU 300 CO 0.87 -0.28 1.58 0.00 0.95 0.00 0.00 175.26 178.38 2jjk n ALA 301 N 0.32 1.95 -0.32 -0.84 0.00 -1.26 -0.93 120.51 119.43 2jjk n ALA 301 Ca -0.11 0.41 0.20 0.00 0.00 0.00 0.00 53.44 53.95 2jjk n ALA 301 Cb 0.59 -2.40 0.40 0.00 0.00 0.00 0.00 19.45 18.04 2jjk n ALA 301 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jjk h VAL 302 N 3.48 0.24 0.00 0.00 2.07 -1.56 0.05 116.25 120.53 2jjk h VAL 302 Ca -0.45 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2jjk h VAL 302 Cb 1.24 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2jjk h VAL 302 CO 0.86 0.04 0.00 0.18 0.02 0.00 0.00 177.57 178.67 2jjk n LEU 303 N -5.18 0.66 0.06 2.57 4.77 -1.26 -2.57 117.00 116.04 2jjk n LEU 303 Ca 0.28 0.66 0.05 0.00 -0.03 0.00 0.00 56.01 56.97 2jjk n LEU 303 Cb 0.89 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 2jjk n LEU 303 CO 0.06 -0.53 -0.19 0.47 -1.33 0.00 0.00 177.39 175.86 2jjk n ASP 304 N -2.22 0.81 -4.64 -1.43 8.00 -0.00 -1.65 116.55 115.41 2jjk n ASP 304 Ca 0.02 0.34 -0.46 0.00 0.71 0.00 0.00 54.79 55.40 2jjk n ASP 304 Cb 0.24 0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 2jjk n ASP 304 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2jjk n VAL 305 N -2.77 0.76 -3.60 2.53 0.31 -1.06 -4.93 118.33 109.56 2jjk n VAL 305 Ca -0.06 -0.19 -0.40 0.00 -0.01 0.00 0.00 64.34 63.68 2jjk n VAL 305 Cb 0.71 -1.29 -0.11 0.00 -0.91 0.00 0.00 33.84 32.24 2jjk n VAL 305 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2jjk s ILE 306 N 0.06 4.53 0.59 2.52 1.01 -1.26 -4.26 121.20 124.39 2jjk s ILE 306 Ca 0.72 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 2jjk s ILE 306 Cb -0.72 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2jjk s ILE 306 CO 0.49 -0.26 1.24 -2.65 0.00 0.00 0.00 174.94 173.76 2jjk n PRO 307 N 4.99 1.31 0.00 2.79 -0.02 -1.26 -4.95 135.00 137.86 2jjk n PRO 307 Ca -0.12 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2jjk n PRO 307 Cb 0.46 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2jjk n PRO 307 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2jjk n THR 308 N -1.47 0.00 -3.78 3.45 -2.24 -1.26 -4.88 114.28 104.09 2jjk n THR 308 Ca 0.13 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 2jjk n THR 308 Cb 0.46 0.61 -0.14 0.00 -2.10 0.00 0.00 70.33 69.17 2jjk n THR 308 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jjk s ASP 309 N -1.33 -0.13 0.40 3.42 1.01 -1.26 -5.06 116.67 113.72 2jjk s ASP 309 Ca 0.00 0.29 0.12 0.00 0.71 0.00 0.00 52.55 53.67 2jjk s ASP 309 Cb 0.00 0.24 0.84 0.00 1.01 0.00 0.00 42.92 45.01 2jjk s ASP 309 CO 0.00 -0.10 1.92 0.16 0.21 0.00 0.00 175.17 177.36 2jjk h ILE 310 N 5.50 1.18 -0.54 0.77 3.07 -1.94 -2.59 117.51 122.97 2jjk h ILE 310 Ca -0.34 -0.83 -0.09 0.00 1.55 0.00 0.00 64.86 65.15 2jjk h ILE 310 Cb 1.17 1.35 -0.05 0.00 -0.27 0.00 0.00 36.82 39.02 2jjk h ILE 310 CO 0.42 0.25 0.09 1.41 -1.05 0.00 0.00 178.15 179.27 2jjk n HIS 311 N -4.26 1.86 -2.37 0.16 8.25 -1.26 -4.46 115.22 113.14 2jjk n HIS 311 Ca -0.02 -1.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.09 2jjk n HIS 311 Cb 0.29 -0.52 -0.02 0.00 1.12 0.00 0.00 29.99 30.86 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 -2.91 3.71 0.15 -0.41 -2.07 -0.98 -4.86 119.66 112.31 2jjk s GLN 312 Ca 0.51 1.59 0.02 0.00 -1.82 0.00 0.00 55.36 55.65 2jjk s GLN 312 Cb 0.41 -2.23 -0.04 0.00 -1.09 0.00 0.00 33.01 30.06 2jjk s GLN 312 CO 0.12 -0.55 0.30 1.03 -1.32 0.00 0.00 175.29 174.87 2jjk s ARG 313 N -2.97 3.45 0.03 9.60 0.52 -1.26 -1.02 118.95 127.31 2jjk s ARG 313 Ca 0.66 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 55.34 2jjk s ARG 313 Cb -0.23 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 2jjk s ARG 313 CO 0.28 0.50 -0.05 0.00 0.02 0.00 0.00 175.30 176.05 2jjk s ALA 314 N -1.75 0.33 0.46 2.13 0.00 0.23 -4.73 121.76 118.43 2jjk s ALA 314 Ca 0.35 -0.64 -0.21 0.00 0.00 0.00 0.00 51.96 51.46 2jjk s ALA 314 Cb -0.11 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.01 2jjk s ALA 314 CO 0.29 -0.08 1.05 -1.25 0.00 0.00 0.00 175.76 175.76 2jjk s PRO 315 N -1.43 3.89 -0.06 0.00 0.04 -1.21 -3.68 135.00 132.55 2jjk s PRO 315 Ca -0.12 1.43 -0.04 0.00 0.04 0.00 0.00 61.00 62.31 2jjk s PRO 315 Cb -0.09 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.23 2jjk s PRO 315 CO -0.00 -0.36 0.14 0.54 0.04 0.00 0.00 177.00 177.35 2jjk s VAL 316 N -1.86 -0.01 -0.10 -0.36 0.11 -1.07 -4.03 120.40 113.09 2jjk s VAL 316 Ca 0.64 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.72 2jjk s VAL 316 Cb -0.19 -0.21 0.03 0.00 -1.53 0.00 0.00 36.38 34.48 2jjk s VAL 316 CO 0.23 0.02 0.01 -0.63 -3.33 0.00 0.00 175.10 171.39 2jjk s ILE 317 N 0.35 0.43 0.14 7.04 1.09 0.11 -1.42 121.20 128.94 2jjk s ILE 317 Ca -0.02 -0.02 -0.05 0.00 -1.10 0.00 0.00 60.65 59.46 2jjk s ILE 317 Cb -0.04 -0.65 -0.02 0.00 -1.06 0.00 0.00 42.46 40.69 2jjk s ILE 317 CO -0.01 0.17 0.16 -1.48 -0.10 0.00 0.00 174.94 173.68 2jjk s LEU 318 N 1.94 1.42 0.00 2.97 0.05 -0.61 -0.20 118.68 124.25 2jjk s LEU 318 Ca 0.04 -1.03 0.00 0.00 0.05 0.00 0.00 54.13 53.19 2jjk s LEU 318 Cb -0.13 0.72 0.00 0.00 -2.05 0.00 0.00 46.19 44.73 2jjk s LEU 318 CO -0.06 -0.80 0.00 0.61 -0.55 0.00 0.00 176.35 175.55 2jjk n GLY 319 N -0.14 0.67 3.70 -3.48 0.00 -0.65 -0.19 105.19 105.10 2jjk n GLY 319 Ca -0.07 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 2jjk n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jjk n SER 320 N 0.00 2.59 0.10 1.61 7.64 0.39 -1.65 113.62 124.30 2jjk n SER 320 Ca 0.00 1.13 0.01 0.00 1.01 0.00 0.00 58.87 61.02 2jjk n SER 320 Cb 0.00 -1.50 0.34 0.00 -1.01 0.00 0.00 64.21 62.05 2jjk n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2jjk h PRO 321 N 2.18 0.26 0.00 1.43 0.13 -1.74 -1.83 132.00 132.42 2jjk h PRO 321 Ca -0.48 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 2jjk h PRO 321 Cb 1.29 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2jjk h PRO 321 CO 0.60 0.44 -0.14 -0.44 -0.23 0.00 0.00 178.00 178.23 2jjk h ASP 322 N 0.24 0.00 0.08 1.44 3.32 -1.62 -2.04 116.42 117.83 2jjk h ASP 322 Ca 0.04 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.87 2jjk h ASP 322 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2jjk h ASP 322 CO 0.03 0.14 -1.13 0.44 -1.72 0.00 0.00 179.24 177.00 2jjk h ASP 323 N 0.00 0.25 -0.23 6.45 3.32 -1.59 -2.66 116.42 121.97 2jjk h ASP 323 Ca -0.00 -0.81 -0.01 0.00 0.02 0.00 0.00 57.03 56.23 2jjk h ASP 323 Cb 0.88 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2jjk h ASP 323 CO 0.02 1.49 0.12 0.58 -1.72 0.00 0.00 179.24 179.72 2jjk h VAL 324 N -0.55 1.12 -0.87 -1.35 2.07 -1.42 0.23 116.25 115.49 2jjk h VAL 324 Ca -0.26 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.01 2jjk h VAL 324 Cb 1.55 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 32.18 2jjk h VAL 324 CO 0.00 0.12 0.52 -0.07 0.02 0.00 0.00 177.57 178.16 2jjk h LEU 325 N 0.25 0.78 -0.89 2.57 3.38 -1.51 0.16 115.31 120.05 2jjk h LEU 325 Ca 0.08 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2jjk h LEU 325 Cb 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2jjk h LEU 325 CO -0.01 0.47 0.10 -0.08 0.09 0.00 0.00 178.44 179.01 2jjk h GLU 326 N 0.90 0.92 -0.68 1.13 4.81 -1.19 -0.33 114.58 120.14 2jjk h GLU 326 Ca 0.40 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2jjk h GLU 326 Cb 0.30 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2jjk h GLU 326 CO -0.22 0.85 0.16 0.35 -0.73 0.00 0.00 179.01 179.42 2jjk h PHE 327 N 0.87 1.13 0.00 0.92 3.57 0.33 -2.86 116.94 120.89 2jjk h PHE 327 Ca 0.18 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2jjk h PHE 327 Cb 0.37 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2jjk h PHE 327 CO 0.02 0.92 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.65 2jjk h LEU 328 N 1.02 0.00 -0.30 0.59 3.38 -0.03 0.71 115.31 120.69 2jjk h LEU 328 Ca 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2jjk h LEU 328 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2jjk h LEU 328 CO 0.00 0.30 0.09 0.11 0.09 0.00 0.00 178.44 179.03 2jjk h LYS 329 N 0.00 0.47 -0.48 1.13 1.57 -1.00 -0.20 116.57 118.06 2jjk h LYS 329 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2jjk h LYS 329 Cb 1.07 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 2jjk h LYS 329 CO 0.04 0.53 0.32 0.28 -0.57 0.00 0.00 179.45 180.04 2jjk h VAL 330 N 0.32 1.13 -0.06 0.50 2.07 -1.28 -1.60 116.25 117.33 2jjk h VAL 330 Ca 0.10 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2jjk h VAL 330 Cb 0.26 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2jjk h VAL 330 CO -0.00 0.12 0.01 0.22 0.02 0.00 0.00 177.57 177.94 2jjk h TYR 331 N 0.65 0.01 -0.70 1.57 3.20 -0.77 -1.61 116.97 119.32 2jjk h TYR 331 Ca 0.18 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.18 2jjk h TYR 331 Cb -0.07 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 2jjk h TYR 331 CO -0.04 0.00 0.47 1.49 -1.64 0.00 0.00 178.16 178.44 2jjk h GLU 332 N 0.03 0.39 -0.28 1.82 4.57 -0.92 -2.32 114.58 117.88 2jjk h GLU 332 Ca 0.03 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2jjk h GLU 332 Cb 0.02 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 2jjk h GLU 332 CO -0.04 0.26 0.04 -0.22 -1.18 0.00 0.00 179.01 177.87 2jjk h LYS 333 N 0.41 0.47 -0.96 1.92 3.64 -0.34 -1.31 116.57 120.40 2jjk h LYS 333 Ca 0.34 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2jjk h LYS 333 Cb 0.74 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2jjk h LYS 333 CO -0.10 0.59 0.00 0.72 -2.27 0.00 0.00 179.45 178.39 2jjk n HIS 334 N -4.64 0.14 0.00 1.91 8.25 -0.87 -4.95 115.22 115.06 2jjk n HIS 334 Ca -0.03 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2jjk n HIS 334 Cb 0.21 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2jjk n HIS 334 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jjk n SER 335 N 0.03 0.00 0.00 0.41 2.88 -0.49 -5.02 113.62 111.43 2jjk n SER 335 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2jjk n SER 335 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2jjk n SER 335 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81