#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a29 s VAL 10 N 0.00 2.21 0.00 2.53 1.01 -1.26 -5.03 120.40 119.86 3a29 s VAL 10 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3a29 s VAL 10 Cb 0.00 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 3a29 s VAL 10 CO 0.00 -0.02 -0.01 0.21 0.00 0.00 0.00 175.10 175.29 3a29 s ASN 11 N -1.23 0.07 0.33 3.32 3.04 -1.26 -5.08 114.94 114.13 3a29 s ASN 11 Ca 0.76 -0.06 0.09 0.00 0.04 0.00 0.00 52.86 53.69 3a29 s ASN 11 Cb -0.37 0.00 -0.05 0.00 -1.54 0.00 0.00 41.25 39.29 3a29 s ASN 11 CO 0.42 -0.02 0.03 0.42 -3.04 0.00 0.00 177.10 174.90 3a29 s THR 12 N -0.15 2.78 0.19 -5.21 -4.23 -1.26 -1.13 115.64 106.62 3a29 s THR 12 Ca -0.01 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.45 3a29 s THR 12 Cb -0.01 -2.82 0.11 0.00 1.34 0.00 0.00 72.50 71.11 3a29 s THR 12 CO -0.00 -0.22 1.86 0.25 -0.54 0.00 0.00 174.62 175.97 3a29 h LEU 13 N 1.78 0.72 -0.13 4.79 5.85 -1.49 -0.39 115.31 126.44 3a29 h LEU 13 Ca -0.43 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.30 3a29 h LEU 13 Cb 1.25 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3a29 h LEU 13 CO 0.65 0.52 -0.03 0.74 -0.34 0.00 0.00 178.44 179.99 3a29 h THR 14 N 0.85 0.88 -0.47 1.05 2.02 -1.96 0.27 112.91 115.55 3a29 h THR 14 Ca 0.23 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 3a29 h THR 14 Cb -0.10 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3a29 h THR 14 CO -0.05 0.00 0.19 -0.09 0.37 0.00 0.00 175.52 175.94 3a29 h ARG 15 N 0.01 0.70 -0.25 6.66 2.43 -1.90 -1.56 114.38 120.46 3a29 h ARG 15 Ca 0.06 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3a29 h ARG 15 Cb 0.09 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3a29 h ARG 15 CO -0.13 0.63 0.14 0.35 -1.51 0.00 0.00 179.97 179.45 3a29 h PHE 16 N 0.61 0.26 -0.34 2.20 3.57 -0.81 -1.39 116.94 121.06 3a29 h PHE 16 Ca 0.16 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3a29 h PHE 16 Cb 0.19 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3a29 h PHE 16 CO 0.00 0.16 0.09 0.28 -2.23 0.00 0.00 178.31 176.61 3a29 h VAL 17 N 0.29 1.22 -0.96 1.41 2.07 -0.86 -1.85 116.25 117.57 3a29 h VAL 17 Ca 0.10 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.90 3a29 h VAL 17 Cb 0.00 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3a29 h VAL 17 CO -0.05 0.25 0.64 -0.03 0.02 0.00 0.00 177.57 178.39 3a29 h MET 18 N 0.39 1.26 -0.07 1.57 1.85 -1.15 -0.03 114.93 118.75 3a29 h MET 18 Ca 0.11 -0.08 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 3a29 h MET 18 Cb 0.29 -0.28 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 3a29 h MET 18 CO -0.00 0.83 0.02 1.49 -0.40 0.00 0.00 176.91 178.85 3a29 h GLU 19 N 1.30 0.11 -0.89 0.39 4.22 -1.05 0.70 114.58 119.37 3a29 h GLU 19 Ca 0.36 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.76 3a29 h GLU 19 Cb -0.14 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3a29 h GLU 19 CO -0.08 0.31 0.53 0.93 -2.18 0.00 0.00 179.01 178.52 3a29 h GLU 20 N -0.11 1.22 -0.56 1.92 4.39 -1.04 -1.40 114.58 118.98 3a29 h GLU 20 Ca 0.02 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 3a29 h GLU 20 Cb 0.25 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3a29 h GLU 20 CO 0.00 0.86 0.16 0.78 -1.16 0.00 0.00 179.01 179.65 3a29 h GLY 21 N 1.23 0.95 1.23 -3.84 0.00 -0.83 -1.78 103.07 100.03 3a29 h GLY 21 Ca 0.32 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3a29 h GLY 21 CO -0.06 0.54 0.48 -0.09 0.00 0.00 0.00 176.54 177.42 3a29 h ARG 22 N 0.79 1.03 -0.44 4.80 2.43 -0.31 -2.47 114.38 120.22 3a29 h ARG 22 Ca 0.18 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 3a29 h ARG 22 Cb 0.31 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3a29 h ARG 22 CO -0.00 0.71 -0.29 0.87 -1.51 0.00 0.00 179.97 179.75 3a29 h LYS 23 N 1.05 0.96 -0.02 0.20 1.57 -0.89 -2.83 116.57 116.61 3a29 h LYS 23 Ca 0.28 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3a29 h LYS 23 Cb -0.08 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3a29 h LYS 23 CO -0.06 1.11 0.04 0.00 -0.57 0.00 0.00 179.45 179.97 3a29 h ALA 24 N 0.85 1.29 -6.03 3.86 0.00 -0.86 -3.46 119.26 114.92 3a29 h ALA 24 Ca 0.09 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.59 3a29 h ALA 24 Cb 0.87 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.73 3a29 h ALA 24 CO 0.08 -0.05 -0.81 0.54 0.00 0.00 0.00 179.25 179.01 3a29 n ARG 25 N -3.42 -5.36 0.00 0.00 1.74 -1.07 -5.00 116.66 103.56 3a29 n ARG 25 Ca -0.03 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 3a29 n ARG 25 Cb 0.11 -5.34 0.00 0.00 -1.02 0.00 0.00 32.46 26.21 3a29 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a29 n GLY 26 N -1.53 4.01 0.16 -0.13 0.00 -1.26 -5.03 105.19 101.42 3a29 n GLY 26 Ca -0.26 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 43.99 3a29 n GLY 26 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3a29 h THR 27 N 0.00 0.70 0.00 2.61 1.35 -1.94 -3.47 112.91 112.16 3a29 h THR 27 Ca 0.00 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 3a29 h THR 27 Cb 0.00 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3a29 h THR 27 CO 0.00 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 3a29 n GLY 28 N 1.04 0.77 0.05 5.82 0.00 -1.26 -4.98 105.19 106.63 3a29 n GLY 28 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3a29 n GLY 28 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a29 h GLU 29 N 3.63 0.03 -0.62 1.61 4.81 -1.98 -2.66 114.58 119.39 3a29 h GLU 29 Ca 0.00 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3a29 h GLU 29 Cb 0.00 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3a29 h GLU 29 CO 0.00 0.20 0.41 1.25 -0.73 0.00 0.00 179.01 180.14 3a29 h LEU 30 N -0.14 0.51 -0.38 1.64 5.85 -1.93 -0.37 115.31 120.49 3a29 h LEU 30 Ca 0.01 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3a29 h LEU 30 Cb 0.18 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3a29 h LEU 30 CO -0.00 0.33 0.24 0.74 -0.34 0.00 0.00 178.44 179.41 3a29 h THR 31 N 0.58 1.08 -0.40 1.05 2.02 -1.84 0.13 112.91 115.53 3a29 h THR 31 Ca 0.27 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 3a29 h THR 31 Cb 0.33 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3a29 h THR 31 CO -0.08 0.09 -0.08 1.56 0.37 0.00 0.00 175.52 177.37 3a29 h GLN 32 N 0.50 0.68 0.03 6.66 1.08 -0.84 0.03 115.11 123.25 3a29 h GLN 32 Ca 0.14 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3a29 h GLN 32 Cb -0.04 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 3a29 h GLN 32 CO -0.04 0.76 -0.01 1.25 -0.95 0.00 0.00 178.83 179.83 3a29 h LEU 33 N 0.63 -0.03 -0.87 1.46 6.46 -0.48 -1.14 115.31 121.34 3a29 h LEU 33 Ca 0.11 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 3a29 h LEU 33 Cb 0.52 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 3a29 h LEU 33 CO 0.03 0.20 0.44 -0.07 -0.62 0.00 0.00 178.44 178.42 3a29 h LEU 34 N -0.27 1.12 -0.32 2.25 3.38 -0.57 -0.57 115.31 120.33 3a29 h LEU 34 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3a29 h LEU 34 Cb 0.25 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3a29 h LEU 34 CO 0.01 0.93 0.21 0.78 0.09 0.00 0.00 178.44 180.45 3a29 h ASN 35 N 1.23 0.36 -0.71 -0.43 -0.26 -0.86 0.22 115.58 115.12 3a29 h ASN 35 Ca 0.30 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.99 3a29 h ASN 35 Cb 0.09 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 3a29 h ASN 35 CO -0.04 0.26 0.29 0.28 -1.06 0.00 0.00 177.43 177.16 3a29 h SER 36 N 0.42 0.99 -0.52 5.81 0.02 -0.75 -1.62 113.55 117.90 3a29 h SER 36 Ca 0.12 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 3a29 h SER 36 Cb -0.04 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 3a29 h SER 36 CO -0.03 0.87 0.11 0.25 -1.14 0.00 0.00 176.83 176.90 3a29 h LEU 37 N 1.05 0.81 -0.47 5.07 5.85 -0.66 -1.16 115.31 125.79 3a29 h LEU 37 Ca 0.24 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3a29 h LEU 37 Cb 0.20 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3a29 h LEU 37 CO -0.02 0.84 0.24 0.00 -0.34 0.00 0.00 178.44 179.15 3a29 h THR 39 N 0.47 1.22 -0.60 0.00 2.02 -1.05 -1.95 112.91 113.02 3a29 h THR 39 Ca 0.20 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.71 3a29 h THR 39 Cb 0.11 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 3a29 h THR 39 CO -0.14 0.26 0.37 0.00 0.37 0.00 0.00 175.52 176.38 3a29 h ALA 40 N 1.04 0.78 -0.96 6.16 0.00 -0.65 -1.64 119.26 123.98 3a29 h ALA 40 Ca 0.17 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3a29 h ALA 40 Cb 0.22 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3a29 h ALA 40 CO -0.01 0.12 0.63 0.28 0.00 0.00 0.00 179.25 180.27 3a29 h VAL 41 N 0.74 1.18 -0.25 0.00 2.07 -0.48 0.53 116.25 120.04 3a29 h VAL 41 Ca 0.24 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 3a29 h VAL 41 Cb 0.00 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.60 3a29 h VAL 41 CO -0.09 0.23 -0.36 0.11 0.02 0.00 0.00 177.57 177.48 3a29 h LYS 42 N 1.23 0.55 -0.44 1.57 1.57 -0.80 -0.59 116.57 119.66 3a29 h LYS 42 Ca 0.38 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3a29 h LYS 42 Cb -0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3a29 h LYS 42 CO -0.11 0.83 0.19 0.00 -0.57 0.00 0.00 179.45 179.79 3a29 h ALA 43 N 1.15 0.57 -0.29 3.86 0.00 -0.41 -0.63 119.26 123.51 3a29 h ALA 43 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3a29 h ALA 43 Cb 0.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3a29 h ALA 43 CO 0.07 0.16 0.12 0.82 0.00 0.00 0.00 179.25 180.42 3a29 h ILE 44 N 0.57 1.17 -0.23 0.00 2.04 -0.69 -2.17 117.51 118.19 3a29 h ILE 44 Ca 0.15 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.55 3a29 h ILE 44 Cb 0.16 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3a29 h ILE 44 CO -0.01 0.18 -0.07 -1.28 0.00 0.00 0.00 178.15 176.96 3a29 h SER 45 N 0.32 -0.25 -0.61 1.72 0.87 -0.86 0.30 113.55 115.04 3a29 h SER 45 Ca 0.10 0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.80 3a29 h SER 45 Cb 0.16 0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.22 3a29 h SER 45 CO -0.01 -0.09 0.29 -1.28 -0.53 0.00 0.00 176.83 175.21 3a29 h SER 46 N -0.02 0.38 -0.34 6.23 0.87 -0.91 -0.78 113.55 118.98 3a29 h SER 46 Ca 0.11 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.59 3a29 h SER 46 Cb 0.19 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3a29 h SER 46 CO -0.25 0.24 -0.29 0.00 -0.53 0.00 0.00 176.83 176.00 3a29 h ALA 47 N 1.37 0.73 -0.60 6.23 0.00 -0.69 -2.62 119.26 123.67 3a29 h ALA 47 Ca 0.29 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3a29 h ALA 47 Cb 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3a29 h ALA 47 CO -0.23 0.66 0.19 0.28 0.00 0.00 0.00 179.25 180.15 3a29 h VAL 48 N 0.73 1.23 0.00 0.00 2.07 0.27 -0.76 116.25 119.79 3a29 h VAL 48 Ca 0.08 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3a29 h VAL 48 Cb 0.85 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3a29 h VAL 48 CO 0.07 0.30 0.00 0.54 0.02 0.00 0.00 177.57 178.50 3a29 n ARG 49 N -4.29 0.82 -2.74 1.57 3.00 -0.36 -4.88 116.66 109.77 3a29 n ARG 49 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.76 3a29 n ARG 49 Cb 0.20 -1.22 0.02 0.00 0.00 0.00 0.00 32.46 31.47 3a29 n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3a29 n LYS 50 N -0.72 -2.95 -1.92 5.56 4.76 -0.29 -4.98 118.16 117.63 3a29 n LYS 50 Ca 0.09 0.49 -0.42 0.00 -2.87 0.00 0.00 58.31 55.60 3a29 n LYS 50 Cb 0.04 -4.48 -0.03 0.00 -1.84 0.00 0.00 35.03 28.72 3a29 n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3a29 s ALA 51 N -2.93 3.75 0.00 7.82 0.00 -1.00 -2.19 121.76 127.21 3a29 s ALA 51 Ca 0.19 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3a29 s ALA 51 Cb -0.08 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3a29 s ALA 51 CO 0.23 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.60 3a29 n GLY 52 N 3.23 0.69 0.30 0.00 0.00 -1.26 -4.87 105.19 103.27 3a29 n GLY 52 Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.29 3a29 n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a29 h ILE 53 N 0.00 0.49 -0.63 -0.61 2.10 -1.85 -1.72 117.51 115.29 3a29 h ILE 53 Ca 0.00 -0.06 0.04 0.00 1.08 0.00 0.00 64.86 65.91 3a29 h ILE 53 Cb 0.02 1.04 -0.04 0.00 -1.09 0.00 0.00 36.82 36.75 3a29 h ILE 53 CO 0.00 0.01 0.41 0.00 -1.08 0.00 0.00 178.15 177.50 3a29 h ALA 54 N 1.99 1.68 -0.13 0.18 0.00 -1.91 -0.04 119.26 121.03 3a29 h ALA 54 Ca -0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3a29 h ALA 54 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3a29 h ALA 54 CO 0.00 0.25 -0.30 0.45 0.00 0.00 0.00 179.25 179.65 3a29 h HIS 55 N 0.72 0.28 0.00 0.00 3.86 -1.71 -1.49 115.15 116.82 3a29 h HIS 55 Ca 0.25 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.32 3a29 h HIS 55 Cb 0.11 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3a29 h HIS 55 CO -0.00 0.53 -0.38 1.25 0.86 0.00 0.00 177.93 180.19 3a29 h LEU 56 N 0.22 0.00 -3.34 2.43 5.85 -1.07 -2.84 115.31 116.55 3a29 h LEU 56 Ca 0.03 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3a29 h LEU 56 Cb 0.65 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3a29 h LEU 56 CO 0.05 0.38 0.04 -1.22 -0.34 0.00 0.00 178.44 177.35 3a29 n TYR 57 N -3.68 1.95 -1.45 1.25 4.02 -0.81 -4.94 117.16 113.49 3a29 n TYR 57 Ca -0.01 -0.72 0.00 0.00 -0.01 0.00 0.00 57.90 57.16 3a29 n TYR 57 Cb 0.48 -0.50 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 3a29 n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a29 n GLY 58 N 0.47 0.39 0.36 2.72 0.00 -1.07 -4.96 105.19 103.09 3a29 n GLY 58 Ca 0.27 -0.99 0.09 0.00 0.00 0.00 0.00 46.02 45.39 3a29 n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a29 h ILE 59 N 0.00 0.95 -0.55 -0.61 2.10 -1.49 -1.00 117.51 116.91 3a29 h ILE 59 Ca 0.00 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.70 3a29 h ILE 59 Cb 0.46 0.18 0.00 0.00 -1.09 0.00 0.00 36.82 36.38 3a29 h ILE 59 CO 0.00 0.13 0.00 0.00 -1.08 0.00 0.00 178.15 177.20 3a29 n ALA 60 N -2.45 3.38 -0.14 0.18 0.00 -1.26 -5.07 120.51 115.15 3a29 n ALA 60 Ca 0.13 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 51.74 3a29 n ALA 60 Cb 0.32 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3a29 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a29 n GLY 61 N 0.66 0.57 3.96 0.00 0.00 -0.38 -5.20 105.19 104.79 3a29 n GLY 61 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 3a29 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a29 s LYS 71 N -0.84 3.16 0.56 1.61 -2.85 -1.26 -4.75 119.74 115.38 3a29 s LYS 71 Ca 0.00 -0.54 -0.21 0.00 -1.00 0.00 0.00 55.97 54.23 3a29 s LYS 71 Cb 0.00 -2.62 -0.05 0.00 -2.06 0.00 0.00 37.83 33.10 3a29 s LYS 71 CO 0.00 -0.12 1.22 1.17 0.10 0.00 0.00 175.35 177.71 3a29 n LYS 72 N -1.94 1.38 -0.31 1.78 4.81 -1.26 -4.77 118.16 117.84 3a29 n LYS 72 Ca -0.00 0.52 0.02 0.00 -0.87 0.00 0.00 58.31 57.97 3a29 n LYS 72 Cb 0.57 -2.42 0.21 0.00 0.02 0.00 0.00 35.03 33.41 3a29 n LYS 72 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3a29 h LEU 73 N 1.08 0.97 -0.48 3.14 5.85 -1.98 -0.52 115.31 123.37 3a29 h LEU 73 Ca -0.50 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.05 3a29 h LEU 73 Cb 1.33 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 3a29 h LEU 73 CO 0.55 0.65 -0.55 -2.24 -0.34 0.00 0.00 178.44 176.51 3a29 h ASP 74 N 1.12 0.68 -0.31 1.25 3.04 -1.95 -0.43 116.42 119.81 3a29 h ASP 74 Ca 0.37 -0.36 -0.06 0.00 -3.24 0.00 0.00 57.03 53.74 3a29 h ASP 74 Cb 0.06 -0.19 -0.01 0.00 -1.04 0.00 0.00 39.33 38.15 3a29 h ASP 74 CO -0.12 1.09 -0.02 0.58 -2.04 0.00 0.00 179.24 178.73 3a29 h VAL 75 N 0.47 1.27 -0.49 4.15 2.07 -1.80 -1.23 116.25 120.68 3a29 h VAL 75 Ca 0.01 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3a29 h VAL 75 Cb 1.11 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 3a29 h VAL 75 CO 0.11 0.33 0.30 0.25 0.02 0.00 0.00 177.57 178.57 3a29 h LEU 76 N 0.36 0.59 -0.63 2.57 5.85 -1.04 -0.32 115.31 122.69 3a29 h LEU 76 Ca 0.09 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3a29 h LEU 76 Cb 0.48 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3a29 h LEU 76 CO 0.02 0.47 0.38 0.28 -0.34 0.00 0.00 178.44 179.25 3a29 h SER 77 N 0.66 0.61 -0.58 1.25 0.02 -0.93 -0.03 113.55 114.55 3a29 h SER 77 Ca 0.18 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 3a29 h SER 77 Cb -0.02 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3a29 h SER 77 CO -0.03 0.42 0.08 -1.13 -1.14 0.00 0.00 176.83 175.03 3a29 h ASN 78 N 0.74 0.93 -0.44 3.07 -1.24 -0.84 -2.08 115.58 115.72 3a29 h ASN 78 Ca 0.26 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3a29 h ASN 78 Cb 0.04 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.82 3a29 h ASN 78 CO -0.11 0.96 0.28 0.44 -1.29 0.00 0.00 177.43 177.71 3a29 h ASP 79 N 0.87 0.51 0.38 1.15 3.32 -0.45 0.18 116.42 122.38 3a29 h ASP 79 Ca 0.18 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3a29 h ASP 79 Cb 0.43 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3a29 h ASP 79 CO 0.01 0.38 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.53 3a29 h LEU 80 N 0.59 -0.83 -0.04 1.55 3.38 -0.76 0.15 115.31 119.36 3a29 h LEU 80 Ca 0.16 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3a29 h LEU 80 Cb -0.05 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3a29 h LEU 80 CO -0.03 -0.46 -0.01 0.58 0.09 0.00 0.00 178.44 178.61 3a29 h VAL 81 N -0.70 0.97 -0.30 1.22 2.07 -1.29 -0.36 116.25 117.86 3a29 h VAL 81 Ca -0.03 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 3a29 h VAL 81 Cb 0.61 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3a29 h VAL 81 CO -0.02 0.00 -0.10 0.24 0.02 0.00 0.00 177.57 177.71 3a29 h MET 82 N 0.01 -0.04 -0.44 1.57 2.86 -0.82 -0.06 114.93 118.01 3a29 h MET 82 Ca 0.02 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 3a29 h MET 82 Cb 0.02 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3a29 h MET 82 CO -0.03 -0.02 -0.09 -0.97 1.06 0.00 0.00 176.91 176.85 3a29 h ASN 83 N -0.04 0.84 -0.54 1.22 -0.73 -0.55 -1.68 115.58 114.11 3a29 h ASN 83 Ca 0.15 -0.36 -0.12 0.00 1.87 0.00 0.00 56.30 57.85 3a29 h ASN 83 Cb 0.27 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 3a29 h ASN 83 CO -0.33 1.00 -0.13 0.24 -0.37 0.00 0.00 177.43 177.84 3a29 h MET 84 N 0.67 1.04 -0.14 6.67 2.86 -0.78 -1.88 114.93 123.37 3a29 h MET 84 Ca 0.11 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 3a29 h MET 84 Cb 0.63 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 3a29 h MET 84 CO 0.04 1.09 -0.04 -0.07 1.06 0.00 0.00 176.91 178.99 3a29 h LEU 85 N 0.92 0.27 -0.23 1.22 3.38 -1.00 -2.50 115.31 117.37 3a29 h LEU 85 Ca 0.14 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.78 3a29 h LEU 85 Cb 0.70 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 3a29 h LEU 85 CO 0.05 0.59 -0.08 0.11 0.09 0.00 0.00 178.44 179.20 3a29 h LYS 86 N -0.05 -0.03 0.00 1.13 1.57 -1.28 -1.24 116.57 116.66 3a29 h LYS 86 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3a29 h LYS 86 Cb 0.47 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3a29 h LYS 86 CO 0.01 -0.02 0.00 -1.13 -0.57 0.00 0.00 179.45 177.74 3a29 n SER 87 N -5.24 0.00 0.13 0.86 3.41 -0.71 -2.31 113.62 109.75 3a29 n SER 87 Ca -0.01 -0.29 0.13 0.00 -0.26 0.00 0.00 58.87 58.43 3a29 n SER 87 Cb 0.16 -0.12 0.30 0.00 -0.26 0.00 0.00 64.21 64.29 3a29 n SER 87 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3a29 h SER 88 N 0.00 0.00 -0.72 4.04 4.64 -0.75 -3.47 113.55 117.29 3a29 h SER 88 Ca 0.00 -0.03 -0.31 0.00 -0.47 0.00 0.00 61.79 60.98 3a29 h SER 88 Cb 0.07 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.03 3a29 h SER 88 CO 0.00 0.01 -0.28 0.49 -0.87 0.00 0.00 176.83 176.18 3a29 n PHE 89 N -2.47 0.00 0.38 4.77 3.72 -0.98 -4.77 117.46 118.11 3a29 n PHE 89 Ca 0.05 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.49 3a29 n PHE 89 Cb 0.46 -2.80 0.03 0.00 -0.94 0.00 0.00 39.48 36.24 3a29 n PHE 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3a29 n ALA 90 N 1.28 2.51 -2.41 4.37 0.00 -1.26 -3.52 120.51 121.48 3a29 n ALA 90 Ca -0.15 -0.56 -0.21 0.00 0.00 0.00 0.00 53.44 52.52 3a29 n ALA 90 Cb 0.55 -0.31 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 3a29 n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3a29 s THR 91 N -0.81 2.05 0.00 0.00 -4.23 -1.26 -1.24 115.64 110.15 3a29 s THR 91 Ca 0.10 -2.29 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 3a29 s THR 91 Cb 0.08 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.72 3a29 s THR 91 CO 0.12 -0.48 0.00 0.00 -0.54 0.00 0.00 174.62 173.72 3a29 s VAL 93 N -1.43 0.35 -0.12 0.00 1.01 -1.25 -1.44 120.40 117.52 3a29 s VAL 93 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3a29 s VAL 93 Cb 0.00 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.98 3a29 s VAL 93 CO 0.00 0.19 -0.13 -0.76 0.00 0.00 0.00 175.10 174.40 3a29 s LEU 94 N 1.03 1.58 -0.16 3.92 1.43 -0.08 -1.64 118.68 124.75 3a29 s LEU 94 Ca -0.10 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3a29 s LEU 94 Cb -0.14 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 3a29 s LEU 94 CO -0.01 -0.04 -0.07 -0.69 0.23 0.00 0.00 176.35 175.77 3a29 s VAL 95 N 1.27 3.45 0.02 -1.59 1.01 0.27 -0.27 120.40 124.56 3a29 s VAL 95 Ca -0.01 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.52 3a29 s VAL 95 Cb -0.14 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3a29 s VAL 95 CO -0.05 0.48 -0.17 -0.55 0.00 0.00 0.00 175.10 174.82 3a29 s SER 96 N 0.66 1.98 0.65 3.32 0.15 -1.26 -0.57 113.70 118.64 3a29 s SER 96 Ca -0.04 -0.41 0.40 0.00 0.70 0.00 0.00 55.95 56.60 3a29 s SER 96 Cb -0.15 -0.18 2.21 0.00 -1.71 0.00 0.00 66.02 66.20 3a29 s SER 96 CO 0.02 0.13 2.29 -0.08 1.20 0.00 0.00 173.24 176.81 3a29 h GLU 97 N 5.23 0.00 0.00 5.44 4.22 -1.79 -1.91 114.58 125.77 3a29 h GLU 97 Ca -0.38 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.06 3a29 h GLU 97 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3a29 h GLU 97 CO 0.46 0.00 -0.43 0.93 -2.18 0.00 0.00 179.01 177.79 3a29 h GLU 98 N 0.00 0.00 -5.83 1.92 4.39 -1.95 -3.46 114.58 109.65 3a29 h GLU 98 Ca 0.01 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.03 3a29 h GLU 98 Cb 0.10 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 28.50 3a29 h GLU 98 CO -0.00 0.00 -0.76 -0.51 -1.16 0.00 0.00 179.01 176.58 3a29 s ASP 99 N -5.69 4.06 0.22 1.42 1.01 -0.72 -5.02 116.67 111.95 3a29 s ASP 99 Ca 0.04 -0.25 -0.08 0.00 0.71 0.00 0.00 52.55 52.97 3a29 s ASP 99 Cb 0.08 -1.24 0.17 0.00 1.01 0.00 0.00 42.92 42.94 3a29 s ASP 99 CO 0.72 0.26 1.82 0.50 0.21 0.00 0.00 175.17 178.67 3a29 h LYS 100 N 6.00 1.17 -6.34 8.23 3.64 -1.90 -3.43 116.57 123.94 3a29 h LYS 100 Ca -0.36 -0.16 -0.61 0.00 -1.27 0.00 0.00 60.65 58.25 3a29 h LYS 100 Cb 1.18 -0.22 -0.11 0.00 -0.41 0.00 0.00 32.23 32.67 3a29 h LYS 100 CO 0.53 0.89 -0.66 -1.01 -2.27 0.00 0.00 179.45 176.93 3a29 s HIS 101 N -5.74 2.84 0.42 1.91 3.76 -1.26 -5.00 115.29 112.22 3a29 s HIS 101 Ca -0.13 -0.14 -0.25 0.00 -0.15 0.00 0.00 55.06 54.40 3a29 s HIS 101 Cb 0.16 -1.38 -0.08 0.00 1.11 0.00 0.00 32.58 32.39 3a29 s HIS 101 CO 0.82 0.52 1.24 0.00 -0.85 0.00 0.00 174.74 176.47 3a29 s ALA 102 N -1.72 3.16 -0.12 -1.40 0.00 -1.26 -4.82 121.76 115.60 3a29 s ALA 102 Ca 0.27 1.10 -0.17 0.00 0.00 0.00 0.00 51.96 53.16 3a29 s ALA 102 Cb -0.09 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 3a29 s ALA 102 CO 0.18 -0.72 0.44 0.42 0.00 0.00 0.00 175.76 176.09 3a29 s ILE 103 N -1.35 5.21 -0.32 0.00 1.09 0.63 -4.93 121.20 121.54 3a29 s ILE 103 Ca 0.58 0.88 -0.12 0.00 -1.10 0.00 0.00 60.65 60.90 3a29 s ILE 103 Cb -0.34 -3.78 -0.02 0.00 -1.06 0.00 0.00 42.46 37.25 3a29 s ILE 103 CO 0.43 0.34 0.20 -0.63 -0.10 0.00 0.00 174.94 175.19 3a29 s ILE 104 N 0.56 5.12 0.33 2.92 -1.09 -1.26 -0.90 121.20 126.88 3a29 s ILE 104 Ca 0.24 -0.15 -0.29 0.00 -2.23 0.00 0.00 60.65 58.22 3a29 s ILE 104 Cb -0.15 -3.57 -0.11 0.00 -1.58 0.00 0.00 42.46 37.06 3a29 s ILE 104 CO 0.09 0.09 1.48 -0.69 -1.23 0.00 0.00 174.94 174.68 3a29 s VAL 105 N 1.71 2.24 0.49 2.92 1.01 -0.52 -4.93 120.40 123.31 3a29 s VAL 105 Ca 0.06 0.23 -0.24 0.00 0.00 0.00 0.00 61.98 62.03 3a29 s VAL 105 Cb -0.17 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 3a29 s VAL 105 CO 0.10 0.05 1.34 -1.84 0.00 0.00 0.00 175.10 174.74 3a29 n GLU 106 N 1.20 1.89 -0.31 2.72 0.28 -1.26 -4.75 120.64 120.40 3a29 n GLU 106 Ca 0.03 0.68 0.15 0.00 -0.16 0.00 0.00 57.16 57.86 3a29 n GLU 106 Cb 0.39 -2.52 0.31 0.00 1.43 0.00 0.00 31.44 31.06 3a29 n GLU 106 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3a29 h PRO 107 N 1.82 0.13 0.00 3.44 0.13 -1.99 -1.03 132.00 134.50 3a29 h PRO 107 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3a29 h PRO 107 Cb 1.29 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3a29 h PRO 107 CO 0.59 0.08 0.00 0.39 -0.23 0.00 0.00 178.00 178.83 3a29 n GLU 108 N -5.31 0.18 0.00 0.86 1.02 -1.26 -2.48 120.64 113.65 3a29 n GLU 108 Ca 0.23 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3a29 n GLU 108 Cb 0.75 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 3a29 n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3a29 n LYS 109 N -1.31 2.55 -2.28 3.49 5.02 -0.41 -5.04 118.16 120.17 3a29 n LYS 109 Ca 0.06 -1.35 -0.41 0.00 -2.02 0.00 0.00 58.31 54.59 3a29 n LYS 109 Cb 0.12 -0.92 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 3a29 n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3a29 s ARG 110 N -0.85 4.42 0.40 1.97 0.52 -1.04 -4.03 118.95 120.36 3a29 s ARG 110 Ca 0.00 1.97 0.01 0.00 -0.52 0.00 0.00 55.73 57.19 3a29 s ARG 110 Cb 0.00 -3.22 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 3a29 s ARG 110 CO 0.00 -0.21 0.02 0.41 0.02 0.00 0.00 175.30 175.55 3a29 n GLY 111 N 2.42 3.62 0.71 -3.53 0.00 0.23 -4.72 105.19 103.91 3a29 n GLY 111 Ca 0.06 -2.29 0.11 0.00 0.00 0.00 0.00 46.02 43.89 3a29 n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a29 n LYS 112 N -0.99 1.93 -4.00 1.61 2.85 -1.13 -3.26 118.16 115.16 3a29 n LYS 112 Ca -0.15 -1.40 -0.30 0.00 -1.05 0.00 0.00 58.31 55.41 3a29 n LYS 112 Cb 0.53 -1.42 -0.05 0.00 -0.65 0.00 0.00 35.03 33.43 3a29 n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3a29 s TYR 113 N -1.73 3.31 -0.13 5.58 2.02 -0.38 0.08 117.35 126.10 3a29 s TYR 113 Ca 0.34 0.13 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 3a29 s TYR 113 Cb 0.19 -1.66 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 3a29 s TYR 113 CO 0.28 0.54 -0.14 0.08 -1.57 0.00 0.00 175.55 174.74 3a29 s VAL 114 N -1.47 2.94 -0.10 0.71 1.01 0.12 -1.14 120.40 122.48 3a29 s VAL 114 Ca 0.31 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3a29 s VAL 114 Cb -0.12 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.04 3a29 s VAL 114 CO 0.24 0.53 -0.17 -0.69 0.00 0.00 0.00 175.10 175.01 3a29 s VAL 115 N 0.35 1.60 -0.14 2.92 1.01 -0.65 -0.30 120.40 125.18 3a29 s VAL 115 Ca -0.12 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 3a29 s VAL 115 Cb -0.16 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3a29 s VAL 115 CO 0.06 0.46 -0.11 0.00 0.00 0.00 0.00 175.10 175.51 3a29 s PHE 117 N 0.49 -0.14 -0.31 0.00 -0.71 0.26 -0.22 117.98 117.35 3a29 s PHE 117 Ca -0.08 -0.19 0.01 0.00 -1.04 0.00 0.00 56.93 55.64 3a29 s PHE 117 Cb -0.15 0.27 0.07 0.00 -1.21 0.00 0.00 43.02 42.00 3a29 s PHE 117 CO 0.04 -0.76 -0.00 0.34 -1.34 0.00 0.00 175.22 173.50 3a29 s ASP 118 N -2.83 4.75 0.27 1.98 -1.08 0.60 -1.95 116.67 118.40 3a29 s ASP 118 Ca 0.06 -1.63 -0.01 0.00 -0.52 0.00 0.00 52.55 50.44 3a29 s ASP 118 Cb 0.01 -1.65 0.48 0.00 -1.46 0.00 0.00 42.92 40.30 3a29 s ASP 118 CO -0.09 -0.30 1.84 1.55 0.52 0.00 0.00 175.17 178.69 3a29 h PRO 119 N 7.83 0.96 -2.08 4.34 0.13 -1.86 -1.09 132.00 140.23 3a29 h PRO 119 Ca -0.15 -0.06 -0.50 0.00 -0.87 0.00 0.00 66.00 64.43 3a29 h PRO 119 Cb 1.04 -0.22 -0.33 0.00 0.13 0.00 0.00 31.00 31.62 3a29 h PRO 119 CO 0.52 0.64 -0.87 -1.17 -0.23 0.00 0.00 178.00 176.89 3a29 s LEU 120 N -10.23 0.77 0.15 1.56 2.96 -1.23 -4.21 118.68 108.45 3a29 s LEU 120 Ca -0.12 -2.74 -0.31 0.00 -0.22 0.00 0.00 54.13 50.74 3a29 s LEU 120 Cb 0.21 0.06 -0.10 0.00 0.50 0.00 0.00 46.19 46.87 3a29 s LEU 120 CO 0.80 -0.15 1.54 -0.62 -1.32 0.00 0.00 176.35 176.60 3a29 s ASP 121 N 0.29 6.63 0.00 3.68 2.15 0.75 -2.56 116.67 127.61 3a29 s ASP 121 Ca 0.32 2.55 0.00 0.00 0.43 0.00 0.00 52.55 55.85 3a29 s ASP 121 Cb 0.02 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 3a29 s ASP 121 CO -0.16 -0.80 0.00 0.61 -0.17 0.00 0.00 175.17 174.65 3a29 n GLY 122 N 3.73 0.63 0.15 2.66 0.00 -1.26 -1.17 105.19 109.93 3a29 n GLY 122 Ca 0.14 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3a29 n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a29 h SER 123 N 0.00 0.00 -0.15 1.61 4.64 -1.84 -2.71 113.55 115.10 3a29 h SER 123 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3a29 h SER 123 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3a29 h SER 123 CO 0.00 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.24 3a29 h SER 124 N 0.00 0.34 -0.80 4.97 0.02 -1.92 -2.72 113.55 113.44 3a29 h SER 124 Ca 0.00 -0.05 -0.56 0.00 -0.84 0.00 0.00 61.79 60.34 3a29 h SER 124 Cb 0.28 -0.09 -0.37 0.00 0.14 0.00 0.00 62.40 62.37 3a29 h SER 124 CO 0.00 0.40 -0.27 0.59 -1.14 0.00 0.00 176.83 176.41 3a29 n ASN 125 N -4.34 5.60 0.24 3.07 5.03 -1.02 -4.72 115.26 119.13 3a29 n ASN 125 Ca 0.01 -3.77 0.14 0.00 0.87 0.00 0.00 54.58 51.83 3a29 n ASN 125 Cb 0.20 -0.55 0.39 0.00 -1.02 0.00 0.00 39.78 38.80 3a29 n ASN 125 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 3a29 h ILE 126 N 1.75 0.00 -0.06 2.41 2.10 -1.56 -3.24 117.51 118.90 3a29 h ILE 126 Ca 0.43 -0.79 -0.01 0.00 1.08 0.00 0.00 64.86 65.57 3a29 h ILE 126 Cb 1.33 1.79 -0.00 0.00 -1.09 0.00 0.00 36.82 38.84 3a29 h ILE 126 CO 0.98 0.00 0.01 0.44 -1.08 0.00 0.00 178.15 178.51 3a29 h ASP 127 N 0.00 0.07 -0.36 2.19 3.32 -1.84 -1.21 116.42 118.59 3a29 h ASP 127 Ca -0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a29 h ASP 127 Cb 0.79 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3a29 h ASP 127 CO 0.00 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 3a29 n LEU 129 N 0.62 -1.67 -4.77 0.00 4.77 -0.46 -4.98 117.00 110.52 3a29 n LEU 129 Ca 0.14 0.17 -0.33 0.00 -0.03 0.00 0.00 56.01 55.96 3a29 n LEU 129 Cb 0.34 -2.68 0.05 0.00 -2.33 0.00 0.00 43.42 38.80 3a29 n LEU 129 CO 0.10 -0.51 0.73 0.54 -1.33 0.00 0.00 177.39 176.92 3a29 s VAL 130 N -2.84 3.28 0.47 4.08 0.11 -1.25 -4.95 120.40 119.29 3a29 s VAL 130 Ca 0.00 0.57 -0.23 0.00 -2.93 0.00 0.00 61.98 59.38 3a29 s VAL 130 Cb 0.00 -3.09 -0.09 0.00 -1.53 0.00 0.00 36.38 31.68 3a29 s VAL 130 CO 0.00 -0.40 1.15 -1.20 -3.33 0.00 0.00 175.10 171.32 3a29 n SER 131 N -2.56 1.87 -4.25 3.54 7.64 -1.26 -4.84 113.62 113.75 3a29 n SER 131 Ca 0.10 1.02 -0.14 0.00 1.01 0.00 0.00 58.87 60.86 3a29 n SER 131 Cb 0.52 -1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 62.17 3a29 n SER 131 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3a29 s VAL 132 N -1.29 0.55 0.37 0.44 -7.23 -1.19 -4.76 120.40 107.29 3a29 s VAL 132 Ca 0.65 -1.98 -0.12 0.00 -1.81 0.00 0.00 61.98 58.73 3a29 s VAL 132 Cb -0.50 -2.27 0.05 0.00 0.56 0.00 0.00 36.38 34.23 3a29 s VAL 132 CO 0.55 -0.33 0.71 0.61 -0.31 0.00 0.00 175.10 176.33 3a29 n GLY 133 N -0.29 1.21 3.10 2.32 0.00 -0.32 -0.17 105.19 111.05 3a29 n GLY 133 Ca -0.04 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 3a29 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a29 s THR 134 N -2.25 1.62 -0.02 2.61 2.01 -0.30 0.27 115.64 119.57 3a29 s THR 134 Ca 0.17 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 61.49 3a29 s THR 134 Cb -0.04 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 3a29 s THR 134 CO 0.13 0.46 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.74 3a29 s ILE 135 N 0.75 2.95 -0.02 1.82 1.01 -0.41 -0.47 121.20 126.83 3a29 s ILE 135 Ca -0.11 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 59.53 3a29 s ILE 135 Cb -0.16 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.16 3a29 s ILE 135 CO 0.02 0.52 0.29 0.72 0.00 0.00 0.00 174.94 176.49 3a29 s PHE 136 N -0.79 -0.16 -0.03 3.97 -0.71 -0.65 -0.29 117.98 119.32 3a29 s PHE 136 Ca 0.12 0.25 0.00 0.00 -1.04 0.00 0.00 56.93 56.27 3a29 s PHE 136 Cb -0.11 0.08 0.03 0.00 -1.21 0.00 0.00 43.02 41.81 3a29 s PHE 136 CO 0.02 -0.37 -0.00 0.20 -1.34 0.00 0.00 175.22 173.73 3a29 s GLY 137 N -1.25 0.25 -0.14 1.99 0.00 0.69 -1.52 107.32 107.33 3a29 s GLY 137 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.74 3a29 s GLY 137 CO 0.04 0.56 -0.14 -0.42 0.00 0.00 0.00 173.10 173.14 3a29 s ILE 138 N 0.98 2.87 0.25 0.90 1.01 0.10 -1.11 121.20 126.20 3a29 s ILE 138 Ca -0.10 -0.71 0.11 0.00 0.00 0.00 0.00 60.65 59.94 3a29 s ILE 138 Cb -0.13 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 3a29 s ILE 138 CO -0.02 0.52 -0.18 -0.31 0.00 0.00 0.00 174.94 174.95 3a29 s TYR 139 N 0.57 2.09 -0.17 3.97 2.02 0.59 -0.71 117.35 125.72 3a29 s TYR 139 Ca -0.09 -0.41 -0.11 0.00 -0.37 0.00 0.00 57.07 56.09 3a29 s TYR 139 Cb -0.16 -0.93 -0.05 0.00 -0.40 0.00 0.00 41.96 40.43 3a29 s TYR 139 CO 0.03 0.59 0.20 0.50 -1.57 0.00 0.00 175.55 175.31 3a29 s ARG 140 N -3.54 4.11 0.00 -0.62 3.52 -1.26 0.13 118.95 121.29 3a29 s ARG 140 Ca 0.27 -0.07 -0.32 0.00 -0.13 0.00 0.00 55.73 55.48 3a29 s ARG 140 Cb -0.04 -3.38 -0.10 0.00 -1.56 0.00 0.00 34.95 29.87 3a29 s ARG 140 CO 0.12 0.36 1.92 1.17 -0.81 0.00 0.00 175.30 178.06 3a29 n LYS 141 N 3.27 2.61 0.02 5.12 4.81 0.11 -4.83 118.16 129.28 3a29 n LYS 141 Ca -0.15 0.96 -0.22 0.00 -0.87 0.00 0.00 58.31 58.03 3a29 n LYS 141 Cb 0.52 -2.87 -0.14 0.00 0.02 0.00 0.00 35.03 32.57 3a29 n LYS 141 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3a29 h LYS 142 N 9.83 0.28 -7.19 1.64 3.64 -1.89 -3.48 116.57 119.41 3a29 h LYS 142 Ca -0.49 -0.49 -0.49 0.00 -1.27 0.00 0.00 60.65 57.92 3a29 h LYS 142 Cb 1.25 0.18 0.03 0.00 -0.41 0.00 0.00 32.23 33.28 3a29 h LYS 142 CO 0.94 1.23 0.35 0.45 -2.27 0.00 0.00 179.45 180.15 3a29 s SER 143 N -7.11 6.47 0.00 4.20 0.15 -1.26 -4.99 113.70 111.16 3a29 s SER 143 Ca -0.20 1.44 0.20 0.00 0.70 0.00 0.00 55.95 58.09 3a29 s SER 143 Cb 0.05 -2.46 0.25 0.00 -1.71 0.00 0.00 66.02 62.15 3a29 s SER 143 CO 0.78 -0.65 1.22 0.35 1.20 0.00 0.00 173.24 176.14 3a29 n THR 144 N -1.95 0.23 -1.28 6.45 -2.24 -1.26 -4.98 114.28 109.26 3a29 n THR 144 Ca 0.06 -0.62 -0.30 0.00 -2.27 0.00 0.00 64.05 60.92 3a29 n THR 144 Cb 0.54 1.21 0.12 0.00 -2.10 0.00 0.00 70.33 70.10 3a29 n THR 144 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3a29 s ASP 145 N -1.53 3.96 0.16 3.42 -0.00 -1.26 -4.91 116.67 116.50 3a29 s ASP 145 Ca 0.28 1.56 -0.33 0.00 -0.00 0.00 0.00 52.55 54.06 3a29 s ASP 145 Cb 0.18 -2.26 -0.16 0.00 -0.00 0.00 0.00 42.92 40.68 3a29 s ASP 145 CO 0.26 -2.34 1.04 -0.62 -0.00 0.00 0.00 175.17 173.51 3a29 n GLU 146 N -3.70 0.83 -1.64 8.23 -0.58 -1.26 -4.77 120.64 117.75 3a29 n GLU 146 Ca 0.08 0.29 -0.46 0.00 -0.42 0.00 0.00 57.16 56.65 3a29 n GLU 146 Cb 0.55 -1.71 -0.03 0.00 -0.57 0.00 0.00 31.44 29.68 3a29 n GLU 146 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3a29 n PRO 147 N 1.54 1.77 -3.94 3.49 -0.04 -1.26 -4.96 135.00 131.59 3a29 n PRO 147 Ca 0.16 0.63 -0.12 0.00 -0.04 0.00 0.00 63.50 64.13 3a29 n PRO 147 Cb 0.23 -2.22 -0.01 0.00 -0.04 0.00 0.00 33.50 31.46 3a29 n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3a29 s SER 148 N 0.14 0.46 0.62 3.54 1.04 -1.26 -5.01 113.70 113.22 3a29 s SER 148 Ca 0.68 -1.32 0.34 0.00 0.48 0.00 0.00 55.95 56.14 3a29 s SER 148 Cb -0.70 0.77 2.02 0.00 0.10 0.00 0.00 66.02 68.20 3a29 s SER 148 CO 0.51 -1.52 2.29 1.05 0.98 0.00 0.00 173.24 176.56 3a29 h GLU 149 N 2.04 0.00 0.00 4.02 4.11 -1.93 -1.68 114.58 121.14 3a29 h GLU 149 Ca -0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.12 3a29 h GLU 149 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3a29 h GLU 149 CO 0.40 0.00 -0.04 0.87 0.07 0.00 0.00 179.01 180.31 3a29 h LYS 150 N 0.00 0.00 0.00 1.06 1.57 -1.96 -1.86 116.57 115.37 3a29 h LYS 150 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a29 h LYS 150 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3a29 h LYS 150 CO -0.00 0.04 0.00 -0.25 -0.57 0.00 0.00 179.45 178.67 3a29 n ASP 151 N -3.32 0.72 -0.23 0.86 8.00 -0.63 -2.08 116.55 119.87 3a29 n ASP 151 Ca -0.02 0.67 0.11 0.00 0.71 0.00 0.00 54.79 56.26 3a29 n ASP 151 Cb 0.19 -0.82 0.08 0.00 -0.02 0.00 0.00 41.12 40.54 3a29 n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a29 n ALA 152 N -1.79 3.80 -2.03 2.24 0.00 -0.70 -4.55 120.51 117.48 3a29 n ALA 152 Ca 0.02 -0.54 -0.40 0.00 0.00 0.00 0.00 53.44 52.52 3a29 n ALA 152 Cb 0.25 -0.91 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 3a29 n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a29 n LEU 153 N -0.78 7.80 -4.47 0.00 4.77 -0.88 -4.93 117.00 118.52 3a29 n LEU 153 Ca 0.08 -4.81 -0.31 0.00 -0.03 0.00 0.00 56.01 50.94 3a29 n LEU 153 Cb 0.39 -1.40 -0.12 0.00 -2.33 0.00 0.00 43.42 39.96 3a29 n LEU 153 CO 0.33 1.92 -0.49 -1.10 -1.33 0.00 0.00 177.39 176.72 3a29 s GLN 154 N -0.66 2.05 0.42 3.23 -0.21 -1.26 -4.66 119.66 118.56 3a29 s GLN 154 Ca 0.52 -1.00 -0.25 0.00 0.02 0.00 0.00 55.36 54.65 3a29 s GLN 154 Cb 0.17 -2.19 -0.08 0.00 1.00 0.00 0.00 33.01 31.90 3a29 s GLN 154 CO -0.07 0.53 1.26 -1.25 -2.12 0.00 0.00 175.29 173.64 3a29 s PRO 155 N -1.55 3.92 0.64 2.91 0.04 -1.26 -4.71 135.00 134.99 3a29 s PRO 155 Ca 0.15 2.04 0.23 0.00 0.04 0.00 0.00 61.00 63.46 3a29 s PRO 155 Cb -0.11 -2.67 1.17 0.00 0.04 0.00 0.00 34.50 32.93 3a29 s PRO 155 CO 0.06 -0.49 1.65 0.78 0.04 0.00 0.00 177.00 179.04 3a29 h GLY 156 N 2.54 0.00 2.00 0.56 0.00 -1.60 0.12 103.07 106.69 3a29 h GLY 156 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3a29 h GLY 156 CO 0.62 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 177.07 3a29 h ARG 157 N 0.00 0.00 -0.09 4.80 9.65 -1.30 -1.75 114.38 125.68 3a29 h ARG 157 Ca 0.11 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3a29 h ARG 157 Cb 1.33 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 3a29 h ARG 157 CO -0.00 0.00 0.00 0.09 2.80 0.00 0.00 179.97 182.86 3a29 n ASN 158 N -2.85 2.13 -4.71 -3.80 3.02 0.43 -4.98 115.26 104.50 3a29 n ASN 158 Ca -0.02 -1.72 -0.43 0.00 -0.03 0.00 0.00 54.58 52.37 3a29 n ASN 158 Cb 0.08 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 3a29 n ASN 158 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3a29 n LEU 159 N 0.64 3.73 -0.04 3.41 4.77 -0.66 -4.63 117.00 124.23 3a29 n LEU 159 Ca 0.17 1.16 -0.13 0.00 -0.03 0.00 0.00 56.01 57.18 3a29 n LEU 159 Cb 0.44 -1.51 -0.14 0.00 -2.33 0.00 0.00 43.42 39.88 3a29 n LEU 159 CO 0.15 -0.21 -0.77 0.52 -1.33 0.00 0.00 177.39 175.76 3a29 n VAL 160 N 1.73 1.61 -3.52 4.08 0.31 0.12 -4.95 118.33 117.70 3a29 n VAL 160 Ca 0.09 -0.75 -0.14 0.00 -0.01 0.00 0.00 64.34 63.53 3a29 n VAL 160 Cb 0.34 -1.15 -0.05 0.00 -0.91 0.00 0.00 33.84 32.08 3a29 n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a29 s ALA 161 N -2.56 -1.79 0.18 3.52 0.00 -1.18 -4.43 121.76 115.49 3a29 s ALA 161 Ca -0.12 1.20 -0.23 0.00 0.00 0.00 0.00 51.96 52.81 3a29 s ALA 161 Cb 0.07 0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.28 3a29 s ALA 161 CO 0.79 -0.47 0.71 0.00 0.00 0.00 0.00 175.76 176.80 3a29 s ALA 162 N -1.88 -1.51 0.00 0.00 0.00 -0.58 0.02 121.76 117.80 3a29 s ALA 162 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.18 3a29 s ALA 162 Cb -0.00 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.90 3a29 s ALA 162 CO 0.01 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.31 3a29 n GLY 163 N -0.40 -0.70 3.66 0.00 0.00 -0.58 0.18 105.19 107.36 3a29 n GLY 163 Ca -0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 3a29 n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a29 s TYR 164 N -3.00 -0.33 -0.13 1.61 1.13 -0.45 -1.63 117.35 114.55 3a29 s TYR 164 Ca 0.00 -0.00 0.03 0.00 -1.41 0.00 0.00 57.07 55.68 3a29 s TYR 164 Cb 0.00 0.64 0.01 0.00 -1.10 0.00 0.00 41.96 41.50 3a29 s TYR 164 CO 0.00 -1.01 -0.22 0.00 -2.51 0.00 0.00 175.55 171.82 3a29 s ALA 165 N -3.74 2.26 -0.23 9.51 0.00 0.38 -0.08 121.76 129.86 3a29 s ALA 165 Ca 0.07 -1.06 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 3a29 s ALA 165 Cb -0.03 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 3a29 s ALA 165 CO -0.02 0.05 0.05 -1.17 0.00 0.00 0.00 175.76 174.67 3a29 s LEU 166 N 0.69 3.44 -1.07 0.00 2.96 0.73 -1.15 118.68 124.28 3a29 s LEU 166 Ca -0.10 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 3a29 s LEU 166 Cb -0.16 -1.90 0.28 0.00 0.50 0.00 0.00 46.19 44.90 3a29 s LEU 166 CO 0.01 0.02 1.12 -1.22 -1.32 0.00 0.00 176.35 174.96 3a29 n TYR 167 N 4.58 4.61 0.00 5.38 4.01 0.76 -1.80 117.16 134.70 3a29 n TYR 167 Ca -0.16 -3.74 0.00 0.00 -0.16 0.00 0.00 57.90 53.83 3a29 n TYR 167 Cb 0.52 -1.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.02 3a29 n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a29 n GLY 168 N 2.36 2.94 0.37 2.72 0.00 -1.26 -3.16 105.19 109.16 3a29 n GLY 168 Ca 0.24 -1.17 0.15 0.00 0.00 0.00 0.00 46.02 45.24 3a29 n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a29 h SER 169 N 0.00 0.31 -5.33 1.61 4.64 -2.00 -3.41 113.55 109.37 3a29 h SER 169 Ca 0.00 0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.11 3a29 h SER 169 Cb 0.00 -0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 61.89 3a29 h SER 169 CO 0.00 0.17 -0.64 0.00 -0.87 0.00 0.00 176.83 175.49 3a29 s ALA 170 N -5.33 1.05 -0.24 5.18 0.00 -1.26 -5.14 121.76 116.02 3a29 s ALA 170 Ca -0.07 -1.57 -0.10 0.00 0.00 0.00 0.00 51.96 50.22 3a29 s ALA 170 Cb 0.20 1.00 -0.05 0.00 0.00 0.00 0.00 23.12 24.28 3a29 s ALA 170 CO 0.75 -0.50 0.14 0.99 0.00 0.00 0.00 175.76 177.14 3a29 s THR 171 N -4.03 5.13 0.01 0.00 2.01 -1.26 -4.50 115.64 113.00 3a29 s THR 171 Ca 0.29 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.44 3a29 s THR 171 Cb 0.07 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 3a29 s THR 171 CO 0.06 0.35 -0.14 -0.32 -0.69 0.00 0.00 174.62 173.88 3a29 s MET 172 N 1.10 1.03 -0.21 4.92 -2.45 -0.74 -0.51 119.30 122.42 3a29 s MET 172 Ca 0.07 -0.60 -0.02 0.00 -1.25 0.00 0.00 55.69 53.88 3a29 s MET 172 Cb -0.14 -1.01 0.00 0.00 1.25 0.00 0.00 34.83 34.93 3a29 s MET 172 CO 0.04 0.27 -0.09 -1.17 1.05 0.00 0.00 175.02 175.12 3a29 s LEU 173 N -0.66 2.70 -0.27 4.11 0.20 0.11 -0.19 118.68 124.68 3a29 s LEU 173 Ca 0.04 -0.50 -0.10 0.00 0.69 0.00 0.00 54.13 54.26 3a29 s LEU 173 Cb -0.06 -1.66 -0.05 0.00 -0.43 0.00 0.00 46.19 43.99 3a29 s LEU 173 CO 0.00 -0.02 0.16 -0.69 -0.29 0.00 0.00 176.35 175.51 3a29 s VAL 174 N 1.42 5.11 -0.13 1.68 1.01 0.88 -1.19 120.40 129.17 3a29 s VAL 174 Ca 0.05 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3a29 s VAL 174 Cb -0.14 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3a29 s VAL 174 CO -0.06 0.27 -0.16 -0.22 0.00 0.00 0.00 175.10 174.93 3a29 s LEU 175 N 1.70 2.48 -0.04 3.92 2.96 -0.31 -1.35 118.68 128.04 3a29 s LEU 175 Ca 0.07 -0.44 0.07 0.00 -0.22 0.00 0.00 54.13 53.61 3a29 s LEU 175 Cb -0.16 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3a29 s LEU 175 CO 0.09 0.13 -0.25 0.00 -1.32 0.00 0.00 176.35 175.00 3a29 s ALA 176 N 0.53 2.16 0.29 5.97 0.00 0.13 -1.32 121.76 129.51 3a29 s ALA 176 Ca -0.10 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.78 3a29 s ALA 176 Cb -0.16 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 3a29 s ALA 176 CO 0.04 0.47 0.36 -1.33 0.00 0.00 0.00 175.76 175.30 3a29 n MET 177 N 2.71 0.51 -0.27 0.00 2.81 -0.70 -1.53 117.12 120.65 3a29 n MET 177 Ca -0.17 -2.44 0.15 0.00 -1.81 0.00 0.00 57.70 53.43 3a29 n MET 177 Cb 0.52 2.24 0.42 0.00 -0.71 0.00 0.00 33.22 35.68 3a29 n MET 177 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 3a29 h ASP 178 N 1.65 0.59 0.16 7.83 3.58 -1.93 -0.28 116.42 128.02 3a29 h ASP 178 Ca -0.22 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.28 3a29 h ASP 178 Cb 0.99 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.98 3a29 h ASP 178 CO 0.30 0.26 0.00 0.00 -2.88 0.00 0.00 179.24 176.92 3a29 n GLY 180 N 0.53 0.29 3.54 0.00 0.00 -0.12 -4.95 105.19 104.48 3a29 n GLY 180 Ca 0.15 -2.27 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 3a29 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a29 s VAL 181 N -0.19 3.61 -0.01 1.61 1.01 -1.26 -1.71 120.40 123.45 3a29 s VAL 181 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3a29 s VAL 181 Cb 0.00 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 3a29 s VAL 181 CO 0.00 0.58 -0.05 0.20 0.00 0.00 0.00 175.10 175.82 3a29 s ASN 182 N -0.54 0.67 -0.13 3.32 -0.87 -0.44 -0.45 114.94 116.50 3a29 s ASN 182 Ca 0.08 -0.10 -0.02 0.00 -1.57 0.00 0.00 52.86 51.25 3a29 s ASN 182 Cb -0.12 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.25 40.98 3a29 s ASN 182 CO 0.02 0.06 -0.07 0.00 -2.57 0.00 0.00 177.10 174.54 3a29 s PHE 184 N 0.08 2.21 -0.18 0.00 0.40 -0.33 -1.43 117.98 118.73 3a29 s PHE 184 Ca -0.02 -0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 55.56 3a29 s PHE 184 Cb -0.14 -1.46 -0.05 0.00 0.51 0.00 0.00 43.02 41.88 3a29 s PHE 184 CO 0.03 -0.20 0.16 1.41 0.70 0.00 0.00 175.22 177.32 3a29 s MET 185 N -0.11 4.08 -0.26 0.44 1.75 0.17 -0.71 119.30 124.67 3a29 s MET 185 Ca -0.04 -0.15 -0.28 0.00 -1.25 0.00 0.00 55.69 53.97 3a29 s MET 185 Cb -0.13 -3.38 0.01 0.00 2.84 0.00 0.00 34.83 34.16 3a29 s MET 185 CO 0.03 0.37 0.99 -1.17 -0.65 0.00 0.00 175.02 174.59 3a29 s LEU 186 N 0.15 4.05 -0.56 4.11 2.96 0.33 0.36 118.68 130.07 3a29 s LEU 186 Ca 0.10 1.16 -0.20 0.00 -0.22 0.00 0.00 54.13 54.98 3a29 s LEU 186 Cb -0.11 -3.43 0.08 0.00 0.50 0.00 0.00 46.19 43.22 3a29 s LEU 186 CO -0.00 -0.69 0.71 -0.62 -1.32 0.00 0.00 176.35 174.42 3a29 s ASP 187 N 1.39 6.21 0.62 3.68 -1.08 0.28 -4.65 116.67 123.11 3a29 s ASP 187 Ca 0.42 -1.09 0.33 0.00 -0.52 0.00 0.00 52.55 51.69 3a29 s ASP 187 Cb -0.14 -2.32 1.87 0.00 -1.46 0.00 0.00 42.92 40.88 3a29 s ASP 187 CO 0.09 -1.05 2.16 1.55 0.52 0.00 0.00 175.17 178.44 3a29 h PRO 188 N 9.14 0.00 -0.40 4.34 0.13 -1.94 0.13 132.00 143.40 3a29 h PRO 188 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.78 3a29 h PRO 188 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3a29 h PRO 188 CO 1.05 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 178.77 3a29 h ALA 189 N 1.78 1.17 0.00 -0.56 0.00 -1.96 -3.30 119.26 116.39 3a29 h ALA 189 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3a29 h ALA 189 Cb 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a29 h ALA 189 CO -0.00 0.53 0.00 0.44 0.00 0.00 0.00 179.25 180.22 3a29 n ILE 190 N -4.22 0.64 -3.85 0.00 -5.35 -0.83 -5.01 119.36 100.74 3a29 n ILE 190 Ca 0.02 -0.66 -0.24 0.00 -0.27 0.00 0.00 62.75 61.60 3a29 n ILE 190 Cb 0.30 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 3a29 n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a29 n GLY 191 N -0.32 -0.25 3.02 3.28 0.00 0.39 -4.98 105.19 106.33 3a29 n GLY 191 Ca 0.00 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 3a29 n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a29 s GLU 192 N -6.31 0.90 -0.31 1.61 2.56 -1.17 -4.96 118.70 111.02 3a29 s GLU 192 Ca 0.01 -0.33 -0.22 0.00 0.00 0.00 0.00 54.97 54.43 3a29 s GLU 192 Cb -0.00 -0.85 -0.00 0.00 2.00 0.00 0.00 34.13 35.27 3a29 s GLU 192 CO 0.86 0.16 0.72 -0.06 -0.56 0.00 0.00 175.26 176.38 3a29 s PHE 193 N 0.01 3.20 -0.20 5.30 0.08 -1.26 -0.56 117.98 124.56 3a29 s PHE 193 Ca -0.00 0.69 -0.09 0.00 0.12 0.00 0.00 56.93 57.65 3a29 s PHE 193 Cb -0.07 -3.14 -0.05 0.00 -0.57 0.00 0.00 43.02 39.20 3a29 s PHE 193 CO 0.00 -0.54 0.10 0.42 -0.10 0.00 0.00 175.22 175.10 3a29 s ILE 194 N 2.82 5.11 -0.06 0.64 -1.09 0.16 -1.12 121.20 127.66 3a29 s ILE 194 Ca 0.29 0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.50 3a29 s ILE 194 Cb -0.14 -3.32 -0.06 0.00 -1.58 0.00 0.00 42.46 37.36 3a29 s ILE 194 CO 0.13 0.44 1.66 -0.22 -1.23 0.00 0.00 174.94 175.72 3a29 s LEU 195 N 0.43 4.31 0.00 2.97 2.96 -0.29 0.46 118.68 129.53 3a29 s LEU 195 Ca 0.06 2.23 0.00 0.00 -0.22 0.00 0.00 54.13 56.20 3a29 s LEU 195 Cb -0.12 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.04 3a29 s LEU 195 CO -0.01 -0.94 0.06 1.33 -1.32 0.00 0.00 176.35 175.48 3a29 n VAL 196 N 5.51 0.00 -3.42 1.68 0.24 -0.51 -4.74 118.33 117.09 3a29 n VAL 196 Ca 0.17 -0.43 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 3a29 n VAL 196 Cb 0.43 1.02 -0.10 0.00 -1.47 0.00 0.00 33.84 33.72 3a29 n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3a29 s ASP 197 N -0.73 0.91 0.00 -1.34 1.01 -1.14 -5.01 116.67 110.38 3a29 s ASP 197 Ca 0.00 -0.09 -0.15 0.00 0.71 0.00 0.00 52.55 53.02 3a29 s ASP 197 Cb 0.00 0.72 -0.06 0.00 1.01 0.00 0.00 42.92 44.59 3a29 s ASP 197 CO 0.00 -0.32 0.41 -0.75 0.21 0.00 0.00 175.17 174.72 3a29 s LYS 198 N 2.43 3.91 -1.15 8.23 2.20 -1.26 -1.26 119.74 132.84 3a29 s LYS 198 Ca 0.10 0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 55.83 3a29 s LYS 198 Cb -0.15 -3.21 0.04 0.00 -1.51 0.00 0.00 37.83 32.99 3a29 s LYS 198 CO -0.16 0.69 0.68 -3.47 -0.36 0.00 0.00 175.35 172.73 3a29 n ASP 199 N 1.79 -4.36 -4.77 1.43 2.03 -0.94 -4.86 116.55 106.87 3a29 n ASP 199 Ca -0.14 -1.23 -0.40 0.00 0.52 0.00 0.00 54.79 53.54 3a29 n ASP 199 Cb 0.52 -1.79 -0.02 0.00 -0.72 0.00 0.00 41.12 39.11 3a29 n ASP 199 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3a29 s VAL 200 N -3.43 2.77 -0.04 5.18 1.01 0.40 -4.87 120.40 121.42 3a29 s VAL 200 Ca 0.41 0.75 0.02 0.00 0.00 0.00 0.00 61.98 63.16 3a29 s VAL 200 Cb -0.22 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.70 3a29 s VAL 200 CO 0.95 0.16 -0.07 -0.54 0.00 0.00 0.00 175.10 175.61 3a29 s LYS 201 N -1.88 1.00 0.49 2.72 -0.14 -1.26 -4.45 119.74 116.21 3a29 s LYS 201 Ca 0.50 -0.20 -0.20 0.00 -1.36 0.00 0.00 55.97 54.72 3a29 s LYS 201 Cb -0.38 -0.93 -0.08 0.00 -1.68 0.00 0.00 37.83 34.75 3a29 s LYS 201 CO 0.51 -0.02 1.03 -1.50 -0.76 0.00 0.00 175.35 174.61 3a29 s ILE 202 N 0.71 3.83 0.59 2.17 2.07 -0.17 -4.99 121.20 125.39 3a29 s ILE 202 Ca -0.11 1.13 -0.20 0.00 -1.41 0.00 0.00 60.65 60.06 3a29 s ILE 202 Cb -0.13 -3.46 -0.04 0.00 0.13 0.00 0.00 42.46 38.96 3a29 s ILE 202 CO 0.01 -0.26 1.31 0.29 -1.91 0.00 0.00 174.94 174.38 3a29 n LYS 203 N -0.98 1.42 -0.04 3.50 5.02 -1.26 -4.88 118.16 120.93 3a29 n LYS 203 Ca 0.09 0.54 0.01 0.00 -2.02 0.00 0.00 58.31 56.92 3a29 n LYS 203 Cb 0.53 -2.53 0.31 0.00 -0.02 0.00 0.00 35.03 33.32 3a29 n LYS 203 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3a29 h LYS 204 N 1.04 0.63 -3.07 1.97 3.64 -1.94 -3.40 116.57 115.44 3a29 h LYS 204 Ca -0.51 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 58.62 3a29 h LYS 204 Cb 1.32 -0.11 -0.26 0.00 -0.41 0.00 0.00 32.23 32.77 3a29 h LYS 204 CO 0.55 0.54 -0.42 0.21 -2.27 0.00 0.00 179.45 178.06 3a29 s LYS 205 N -5.26 0.29 0.13 1.90 2.20 -1.26 -1.82 119.74 115.92 3a29 s LYS 205 Ca -0.08 0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.95 3a29 s LYS 205 Cb 0.16 0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 3a29 s LYS 205 CO 0.76 -0.06 0.10 0.41 -0.36 0.00 0.00 175.35 176.20 3a29 n GLY 206 N 3.23 2.90 0.20 5.54 0.00 -1.26 -4.73 105.19 111.07 3a29 n GLY 206 Ca -0.15 -2.20 0.03 0.00 0.00 0.00 0.00 46.02 43.70 3a29 n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a29 n LYS 207 N -0.84 0.82 -4.37 1.61 5.02 -1.26 -4.76 118.16 114.37 3a29 n LYS 207 Ca -0.00 -1.41 -0.20 0.00 -2.02 0.00 0.00 58.31 54.69 3a29 n LYS 207 Cb 0.15 -0.85 -0.15 0.00 -0.02 0.00 0.00 35.03 34.15 3a29 n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a29 s ILE 208 N -0.94 0.74 0.08 -0.18 -1.09 -1.26 -0.38 121.20 118.17 3a29 s ILE 208 Ca 0.09 -0.36 0.10 0.00 -2.23 0.00 0.00 60.65 58.24 3a29 s ILE 208 Cb 0.08 -0.65 -0.03 0.00 -1.58 0.00 0.00 42.46 40.28 3a29 s ILE 208 CO 0.01 0.22 -0.26 -0.72 -1.23 0.00 0.00 174.94 172.96 3a29 s TYR 209 N 0.04 2.25 -0.04 3.97 1.13 -0.81 -0.97 117.35 122.91 3a29 s TYR 209 Ca -0.00 -0.40 -0.01 0.00 -1.41 0.00 0.00 57.07 55.24 3a29 s TYR 209 Cb -0.06 -1.29 0.03 0.00 -1.10 0.00 0.00 41.96 39.54 3a29 s TYR 209 CO 0.00 0.21 0.04 0.45 -2.51 0.00 0.00 175.55 173.74 3a29 s SER 210 N -1.60 1.02 -0.20 -0.18 0.15 0.11 -2.93 113.70 110.07 3a29 s SER 210 Ca 0.12 0.03 -0.33 0.00 0.70 0.00 0.00 55.95 56.47 3a29 s SER 210 Cb -0.10 -0.20 0.15 0.00 -1.71 0.00 0.00 66.02 64.16 3a29 s SER 210 CO 0.04 -0.21 1.20 -1.48 1.20 0.00 0.00 173.24 173.99 3a29 s LEU 211 N 1.88 -0.16 -0.62 3.45 2.34 -1.26 0.60 118.68 124.91 3a29 s LEU 211 Ca 0.02 0.06 -0.27 0.00 0.06 0.00 0.00 54.13 54.00 3a29 s LEU 211 Cb -0.12 1.41 0.01 0.00 -0.56 0.00 0.00 46.19 46.93 3a29 s LEU 211 CO -0.03 -0.22 1.46 0.21 -1.06 0.00 0.00 176.35 176.71 3a29 s ASN 212 N -1.82 5.97 0.00 1.48 3.84 -1.26 -4.84 114.94 118.31 3a29 s ASN 212 Ca 0.08 0.09 0.25 0.00 0.21 0.00 0.00 52.86 53.48 3a29 s ASN 212 Cb -0.01 -2.55 1.45 0.00 -0.55 0.00 0.00 41.25 39.60 3a29 s ASN 212 CO -0.05 -1.88 1.85 -0.62 -2.79 0.00 0.00 177.10 173.62 3a29 n GLU 213 N 8.97 0.70 0.15 0.43 1.02 -1.26 -2.79 120.64 127.87 3a29 n GLU 213 Ca 0.11 0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.39 3a29 n GLU 213 Cb 0.50 -1.50 0.54 0.00 -0.02 0.00 0.00 31.44 30.96 3a29 n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3a29 h GLY 214 N 3.95 0.00 -0.86 0.62 0.00 -2.06 -1.16 103.07 103.56 3a29 h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a29 h GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 3a29 n TYR 215 N -2.35 0.16 -0.33 5.60 4.01 -1.12 -4.54 117.16 118.59 3a29 n TYR 215 Ca 0.01 -0.08 0.02 0.00 -0.16 0.00 0.00 57.90 57.69 3a29 n TYR 215 Cb 0.20 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.31 3a29 n TYR 215 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a29 n ALA 216 N 0.40 0.04 -0.34 -0.72 0.00 -0.44 0.10 120.51 119.56 3a29 n ALA 216 Ca 0.17 0.93 0.19 0.00 0.00 0.00 0.00 53.44 54.74 3a29 n ALA 216 Cb 0.37 -0.49 0.41 0.00 0.00 0.00 0.00 19.45 19.74 3a29 n ALA 216 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3a29 h LYS 217 N 0.00 0.48 -0.14 0.00 3.64 -1.85 -0.48 116.57 118.23 3a29 h LYS 217 Ca 0.37 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3a29 h LYS 217 Cb 0.59 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3a29 h LYS 217 CO -0.90 0.32 0.00 -0.25 -2.27 0.00 0.00 179.45 176.35 3a29 n ASP 218 N -4.94 2.81 -4.75 4.20 8.00 0.12 -5.01 116.55 116.97 3a29 n ASP 218 Ca 0.28 -1.90 -0.37 0.00 0.71 0.00 0.00 54.79 53.51 3a29 n ASP 218 Cb 0.82 -0.08 0.04 0.00 -0.02 0.00 0.00 41.12 41.88 3a29 n ASP 218 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3a29 s PHE 219 N -1.84 2.34 0.49 1.24 0.08 -0.19 -3.25 117.98 116.85 3a29 s PHE 219 Ca 0.33 1.47 -0.20 0.00 0.12 0.00 0.00 56.93 58.65 3a29 s PHE 219 Cb 0.21 -3.61 -0.08 0.00 -0.57 0.00 0.00 43.02 38.97 3a29 s PHE 219 CO 0.31 -2.49 1.04 0.16 -0.10 0.00 0.00 175.22 174.14 3a29 s ASP 220 N -1.35 6.30 0.32 1.36 1.47 -1.26 -4.81 116.67 118.69 3a29 s ASP 220 Ca 0.76 1.92 0.09 0.00 1.18 0.00 0.00 52.55 56.50 3a29 s ASP 220 Cb -0.35 -2.56 0.90 0.00 -0.34 0.00 0.00 42.92 40.57 3a29 s ASP 220 CO 0.39 -0.81 1.70 1.55 0.68 0.00 0.00 175.17 178.68 3a29 h PRO 221 N 1.48 0.45 -0.64 2.11 0.13 -1.99 -0.65 132.00 132.89 3a29 h PRO 221 Ca -0.49 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.54 3a29 h PRO 221 Cb 1.22 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 3a29 h PRO 221 CO 0.59 0.30 0.12 0.00 -0.23 0.00 0.00 178.00 178.78 3a29 h ALA 222 N 1.76 1.01 -0.42 -0.56 0.00 -1.91 -1.09 119.26 118.04 3a29 h ALA 222 Ca 0.65 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 3a29 h ALA 222 Cb 1.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3a29 h ALA 222 CO -0.53 0.64 -0.14 0.28 0.00 0.00 0.00 179.25 179.50 3a29 h VAL 223 N 0.98 1.28 -0.07 0.00 2.07 -1.53 -1.17 116.25 117.80 3a29 h VAL 223 Ca 0.20 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.47 3a29 h VAL 223 Cb 0.39 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3a29 h VAL 223 CO 0.01 0.43 -0.04 0.74 0.02 0.00 0.00 177.57 178.73 3a29 h THR 224 N 0.66 0.88 -0.49 2.57 2.02 -0.96 -1.39 112.91 116.20 3a29 h THR 224 Ca 0.10 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 3a29 h THR 224 Cb 0.69 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3a29 h THR 224 CO 0.05 0.00 0.19 -0.08 0.37 0.00 0.00 175.52 176.05 3a29 h GLU 225 N -0.03 0.74 -0.08 6.66 4.81 -1.15 -1.60 114.58 123.93 3a29 h GLU 225 Ca 0.04 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3a29 h GLU 225 Cb 0.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3a29 h GLU 225 CO -0.09 0.67 -0.02 -0.92 -0.73 0.00 0.00 179.01 177.92 3a29 h TYR 226 N 0.66 -0.04 -0.74 0.92 3.20 -0.99 -0.43 116.97 119.55 3a29 h TYR 226 Ca 0.16 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3a29 h TYR 226 Cb 0.21 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 3a29 h TYR 226 CO 0.01 -0.03 0.47 0.82 -1.64 0.00 0.00 178.16 177.78 3a29 h ILE 227 N -0.00 1.20 -0.56 1.81 1.08 -1.19 -1.30 117.51 118.54 3a29 h ILE 227 Ca 0.04 -0.39 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 3a29 h ILE 227 Cb 0.06 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 33.91 3a29 h ILE 227 CO -0.08 0.20 0.27 1.56 -0.69 0.00 0.00 178.15 179.41 3a29 h GLN 228 N 1.01 0.78 0.00 2.37 1.08 -0.51 -1.36 115.11 118.48 3a29 h GLN 228 Ca 0.27 -0.09 -0.07 0.00 -1.45 0.00 0.00 58.65 57.31 3a29 h GLN 228 Cb -0.08 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 3a29 h GLN 228 CO -0.06 0.60 -0.32 0.00 -0.95 0.00 0.00 178.83 178.11 3a29 h ARG 229 N 0.78 0.00 0.03 1.46 3.08 0.04 0.16 114.38 119.94 3a29 h ARG 229 Ca 0.20 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.03 3a29 h ARG 229 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3a29 h ARG 229 CO -0.03 0.32 -0.98 0.87 -1.07 0.00 0.00 179.97 179.08 3a29 h LYS 230 N 0.00 0.19 0.07 0.04 6.56 -0.75 -2.55 116.57 120.13 3a29 h LYS 230 Ca -0.00 -0.24 -0.32 0.00 -1.06 0.00 0.00 60.65 59.03 3a29 h LYS 230 Cb 0.83 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 32.54 3a29 h LYS 230 CO 0.04 1.02 -1.74 0.87 -2.06 0.00 0.00 179.45 177.58 3a29 h LYS 231 N 0.09 0.15 -2.14 3.15 1.57 -1.20 -1.00 116.57 117.18 3a29 h LYS 231 Ca -0.06 -0.25 -0.59 0.00 -1.87 0.00 0.00 60.65 57.88 3a29 h LYS 231 Cb 1.66 0.09 -0.41 0.00 0.08 0.00 0.00 32.23 33.65 3a29 h LYS 231 CO 0.15 0.89 -0.73 1.19 -0.57 0.00 0.00 179.45 180.38 3a29 n PHE 232 N -3.29 2.61 -1.64 -1.35 3.72 0.54 -4.69 117.46 113.35 3a29 n PHE 232 Ca -0.21 -4.00 -0.55 0.00 -0.05 0.00 0.00 57.45 52.63 3a29 n PHE 232 Cb 1.05 -0.50 -0.07 0.00 -0.94 0.00 0.00 39.48 39.01 3a29 n PHE 232 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3a29 n PRO 233 N 0.97 1.01 0.28 -1.08 -0.02 -0.96 -4.53 135.00 130.68 3a29 n PRO 233 Ca 0.28 0.37 0.16 0.00 -2.02 0.00 0.00 63.50 62.28 3a29 n PRO 233 Cb 0.44 -2.01 0.84 0.00 -0.02 0.00 0.00 33.50 32.75 3a29 n PRO 233 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3a29 h PRO 234 N 5.51 0.00 -0.67 0.52 0.11 -1.92 -0.44 132.00 135.11 3a29 h PRO 234 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3a29 h PRO 234 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3a29 h PRO 234 CO 0.85 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 3a29 n ASP 235 N -3.49 3.28 -1.60 -2.05 5.75 -1.26 -4.90 116.55 112.29 3a29 n ASP 235 Ca -0.02 -2.38 -0.10 0.00 -0.01 0.00 0.00 54.79 52.28 3a29 n ASP 235 Cb 0.19 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 39.74 3a29 n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3a29 n ASN 236 N 0.46 -2.79 -3.23 -1.12 3.02 -0.17 -4.94 115.26 106.48 3a29 n ASN 236 Ca 0.15 0.25 -0.20 0.00 -0.03 0.00 0.00 54.58 54.75 3a29 n ASN 236 Cb 0.67 -2.63 0.15 0.00 -0.61 0.00 0.00 39.78 37.35 3a29 n ASN 236 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3a29 n SER 237 N -0.56 -0.85 -4.73 6.41 3.41 -1.26 -4.97 113.62 111.08 3a29 n SER 237 Ca -0.10 -1.13 -0.41 0.00 -0.26 0.00 0.00 58.87 56.97 3a29 n SER 237 Cb 0.39 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 3a29 n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a29 s ALA 238 N -3.49 3.44 0.62 7.33 0.00 -1.26 -4.61 121.76 123.79 3a29 s ALA 238 Ca 0.49 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 53.21 3a29 s ALA 238 Cb -0.03 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 3a29 s ALA 238 CO 0.36 -0.40 1.21 -2.14 0.00 0.00 0.00 175.76 174.78 3a29 s PRO 239 N 0.08 2.81 0.51 0.00 0.02 -1.26 -4.92 135.00 132.25 3a29 s PRO 239 Ca 0.55 1.80 -0.20 0.00 0.02 0.00 0.00 61.00 63.17 3a29 s PRO 239 Cb -0.32 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.22 3a29 s PRO 239 CO 0.35 -1.33 1.09 0.71 -0.33 0.00 0.00 177.00 177.49 3a29 s TYR 240 N -1.68 2.82 0.46 6.54 1.51 -0.38 -5.02 117.35 121.59 3a29 s TYR 240 Ca 0.77 1.56 -0.11 0.00 -1.01 0.00 0.00 57.07 58.27 3a29 s TYR 240 Cb -0.30 -3.19 -0.06 0.00 -0.11 0.00 0.00 41.96 38.30 3a29 s TYR 240 CO 0.36 -1.24 0.84 0.20 -1.11 0.00 0.00 175.55 174.60 3a29 s GLY 241 N -1.85 1.89 0.03 0.71 0.00 0.49 -4.84 107.32 103.75 3a29 s GLY 241 Ca 0.70 -0.14 0.05 0.00 0.00 0.00 0.00 44.72 45.33 3a29 s GLY 241 CO 0.24 0.07 -0.10 0.00 0.00 0.00 0.00 173.10 173.31 3a29 s ALA 242 N -2.54 2.91 -0.17 3.20 0.00 -1.26 -1.92 121.76 121.98 3a29 s ALA 242 Ca 0.53 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 3a29 s ALA 242 Cb -0.10 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 22.06 3a29 s ALA 242 CO 0.35 0.61 0.43 1.03 0.00 0.00 0.00 175.76 178.18 3a29 s ARG 243 N -1.54 0.44 -0.28 0.00 1.81 -1.15 -4.98 118.95 113.25 3a29 s ARG 243 Ca 0.17 0.75 0.01 0.00 -1.72 0.00 0.00 55.73 54.95 3a29 s ARG 243 Cb -0.11 0.07 0.16 0.00 -0.45 0.00 0.00 34.95 34.61 3a29 s ARG 243 CO 0.08 -0.13 0.41 -0.47 -0.68 0.00 0.00 175.30 174.51 3a29 s TYR 244 N 1.05 -0.99 0.13 -0.53 5.04 -1.26 -4.20 117.35 116.58 3a29 s TYR 244 Ca -0.07 0.40 -0.06 0.00 -2.44 0.00 0.00 57.07 54.90 3a29 s TYR 244 Cb -0.07 -0.13 -0.09 0.00 0.35 0.00 0.00 41.96 42.02 3a29 s TYR 244 CO -0.09 -0.95 1.31 0.28 -1.34 0.00 0.00 175.55 174.76 3a29 h VAL 245 N 6.16 1.36 0.00 3.14 2.07 -1.98 -3.48 116.25 123.53 3a29 h VAL 245 Ca -0.10 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.14 3a29 h VAL 245 Cb 1.12 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 3a29 h VAL 245 CO 0.27 0.69 0.00 0.61 0.02 0.00 0.00 177.57 179.16 3a29 n GLY 246 N 0.85 0.16 3.27 2.17 0.00 -1.26 -5.01 105.19 105.38 3a29 n GLY 246 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 3a29 n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a29 s SER 247 N -2.12 4.67 0.23 1.61 0.15 -1.26 -4.88 113.70 112.10 3a29 s SER 247 Ca 0.00 -0.75 -0.06 0.00 0.70 0.00 0.00 55.95 55.83 3a29 s SER 247 Cb 0.00 -1.77 0.40 0.00 -1.71 0.00 0.00 66.02 62.94 3a29 s SER 247 CO 0.00 -0.14 1.72 -0.03 1.20 0.00 0.00 173.24 175.98 3a29 h MET 248 N 8.12 0.35 -0.81 5.44 4.05 -1.94 -0.93 114.93 129.21 3a29 h MET 248 Ca -0.33 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.11 3a29 h MET 248 Cb 1.12 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.79 3a29 h MET 248 CO 0.59 0.23 0.51 0.28 0.23 0.00 0.00 176.91 178.75 3a29 h VAL 249 N 0.36 1.08 0.12 -5.77 2.07 -1.95 0.24 116.25 112.40 3a29 h VAL 249 Ca 0.38 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3a29 h VAL 249 Cb 0.57 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3a29 h VAL 249 CO -0.41 0.18 -0.06 0.00 0.02 0.00 0.00 177.57 177.29 3a29 h ALA 250 N 1.36 -0.16 -0.67 1.67 0.00 -1.56 -0.97 119.26 118.92 3a29 h ALA 250 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3a29 h ALA 250 Cb 0.08 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3a29 h ALA 250 CO -0.14 -0.42 0.42 -0.44 0.00 0.00 0.00 179.25 178.68 3a29 h ASP 251 N -0.51 0.79 -0.51 0.00 3.32 -1.02 -1.39 116.42 117.10 3a29 h ASP 251 Ca -0.02 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 3a29 h ASP 251 Cb 0.41 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3a29 h ASP 251 CO 0.03 0.60 -0.15 0.58 -1.72 0.00 0.00 179.24 178.58 3a29 h VAL 252 N 0.91 1.27 -0.57 -1.35 2.07 -0.53 -2.06 116.25 115.99 3a29 h VAL 252 Ca 0.24 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 3a29 h VAL 252 Cb -0.06 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3a29 h VAL 252 CO -0.05 0.46 0.16 -0.74 0.02 0.00 0.00 177.57 177.42 3a29 h HIS 253 N 0.88 0.94 -0.85 1.57 -0.00 -0.87 -0.91 115.15 115.91 3a29 h HIS 253 Ca 0.13 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3a29 h HIS 253 Cb 0.72 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.82 3a29 h HIS 253 CO 0.05 0.80 0.54 -0.09 -0.00 0.00 0.00 177.93 179.23 3a29 h ARG 254 N 0.81 1.13 -0.91 5.26 2.43 -1.15 -0.52 114.38 121.43 3a29 h ARG 254 Ca 0.18 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3a29 h ARG 254 Cb 0.32 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3a29 h ARG 254 CO -0.00 0.77 0.52 1.15 -1.51 0.00 0.00 179.97 180.90 3a29 h THR 255 N 1.15 1.26 -0.06 0.20 2.02 -0.85 0.17 112.91 116.80 3a29 h THR 255 Ca 0.31 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3a29 h THR 255 Cb -0.10 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.31 3a29 h THR 255 CO -0.06 0.28 0.01 0.25 0.37 0.00 0.00 175.52 176.37 3a29 h LEU 256 N 1.27 0.10 -0.06 2.58 5.85 -0.34 0.41 115.31 125.13 3a29 h LEU 256 Ca 0.32 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3a29 h LEU 256 Cb -0.01 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 3a29 h LEU 256 CO -0.06 0.35 -0.03 0.58 -0.34 0.00 0.00 178.44 178.95 3a29 h VAL 257 N -0.15 1.33 -0.01 1.05 2.07 -0.93 -3.34 116.25 116.27 3a29 h VAL 257 Ca 0.02 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.50 3a29 h VAL 257 Cb 0.30 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3a29 h VAL 257 CO 0.00 0.28 -0.72 -1.22 0.02 0.00 0.00 177.57 175.93 3a29 n TYR 258 N -4.79 0.00 -0.17 1.57 0.53 0.58 -4.89 117.16 110.00 3a29 n TYR 258 Ca -0.07 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.83 3a29 n TYR 258 Cb 0.25 -0.03 -0.01 0.00 -1.03 0.00 0.00 39.34 38.53 3a29 n TYR 258 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3a29 n GLY 259 N 1.46 -1.80 0.00 2.72 0.00 0.14 -4.67 105.19 103.05 3a29 n GLY 259 Ca 0.07 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3a29 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a29 n GLY 260 N -2.27 0.32 3.16 -0.02 0.00 -1.26 -4.53 105.19 100.59 3a29 n GLY 260 Ca -0.00 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 3a29 n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a29 s ILE 261 N -0.43 0.01 -0.06 -0.61 2.07 -0.14 -0.88 121.20 121.16 3a29 s ILE 261 Ca 0.00 -0.08 0.06 0.00 -1.41 0.00 0.00 60.65 59.22 3a29 s ILE 261 Cb 0.00 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 3a29 s ILE 261 CO 0.00 -0.05 -0.25 0.12 -1.91 0.00 0.00 174.94 172.85 3a29 s PHE 262 N -0.08 2.43 0.01 3.50 5.36 -0.31 0.10 117.98 128.99 3a29 s PHE 262 Ca -0.02 -0.72 0.02 0.00 -0.96 0.00 0.00 56.93 55.25 3a29 s PHE 262 Cb -0.03 -1.59 -0.01 0.00 -0.34 0.00 0.00 43.02 41.05 3a29 s PHE 262 CO 0.01 -0.22 -0.07 -0.51 -1.46 0.00 0.00 175.22 172.96 3a29 s LEU 263 N -0.16 2.09 -0.47 6.12 1.02 0.20 -1.74 118.68 125.74 3a29 s LEU 263 Ca -0.04 -0.25 0.06 0.00 0.02 0.00 0.00 54.13 53.93 3a29 s LEU 263 Cb -0.14 -0.32 0.23 0.00 0.02 0.00 0.00 46.19 45.98 3a29 s LEU 263 CO 0.04 0.01 0.72 0.00 0.02 0.00 0.00 176.35 177.14 3a29 n TYR 264 N 2.48 -2.55 -1.85 0.29 4.19 -0.77 -4.29 117.16 114.67 3a29 n TYR 264 Ca -0.16 -2.23 -0.29 0.00 3.31 0.00 0.00 57.90 58.53 3a29 n TYR 264 Cb 0.57 0.99 0.13 0.00 0.49 0.00 0.00 39.34 41.52 3a29 n TYR 264 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3a29 s PRO 265 N 0.24 1.34 0.84 2.98 0.04 -1.26 -2.12 135.00 137.06 3a29 s PRO 265 Ca 0.32 -0.05 -0.10 0.00 0.04 0.00 0.00 61.00 61.21 3a29 s PRO 265 Cb 0.15 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 32.90 3a29 s PRO 265 CO -0.17 -2.00 1.12 0.00 0.04 0.00 0.00 177.00 175.98 3a29 s ALA 266 N -3.63 1.85 0.35 8.56 0.00 -1.26 -4.50 121.76 123.12 3a29 s ALA 266 Ca 0.66 0.41 0.09 0.00 0.00 0.00 0.00 51.96 53.12 3a29 s ALA 266 Cb -0.09 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 3a29 s ALA 266 CO 0.51 -2.26 -0.09 -0.80 0.00 0.00 0.00 175.76 173.12 3a29 s ASN 267 N -3.06 3.76 0.47 0.00 0.02 -0.60 -4.59 114.94 110.94 3a29 s ASN 267 Ca 0.64 -1.20 0.31 0.00 -1.02 0.00 0.00 52.86 51.60 3a29 s ASN 267 Cb -0.20 -0.36 1.34 0.00 0.02 0.00 0.00 41.25 42.05 3a29 s ASN 267 CO 0.57 -0.22 1.93 0.07 0.02 0.00 0.00 177.10 179.48 3a29 h LYS 268 N 2.00 0.00 -0.00 -0.60 5.09 -1.93 -1.38 116.57 119.75 3a29 h LYS 268 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.32 3a29 h LYS 268 Cb 1.25 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.58 3a29 h LYS 268 CO 0.71 0.00 -0.62 1.17 -2.09 0.00 0.00 179.45 178.62 3a29 n LYS 269 N -2.83 0.17 -3.09 0.07 3.00 -1.26 -4.45 118.16 109.77 3a29 n LYS 269 Ca 0.01 -0.12 -0.20 0.00 -0.00 0.00 0.00 58.31 58.01 3a29 n LYS 269 Cb 0.26 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.75 3a29 n LYS 269 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3a29 n SER 270 N -1.32 -0.84 -0.07 3.14 7.64 -0.58 -5.01 113.62 116.58 3a29 n SER 270 Ca 0.06 -2.81 0.25 0.00 1.01 0.00 0.00 58.87 57.39 3a29 n SER 270 Cb 0.34 0.09 0.72 0.00 -1.01 0.00 0.00 64.21 64.35 3a29 n SER 270 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3a29 h PRO 271 N 4.27 0.00 -0.78 1.43 0.11 -1.60 0.71 132.00 136.13 3a29 h PRO 271 Ca 0.04 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.87 3a29 h PRO 271 Cb 0.93 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 31.87 3a29 h PRO 271 CO 0.39 0.00 0.35 0.09 -0.21 0.00 0.00 178.00 178.62 3a29 n ASN 272 N -3.99 4.46 -0.14 -2.05 5.03 -1.26 -4.75 115.26 112.56 3a29 n ASN 272 Ca 0.14 -3.34 0.02 0.00 0.87 0.00 0.00 54.58 52.27 3a29 n ASN 272 Cb 0.86 -0.76 -0.00 0.00 -1.02 0.00 0.00 39.78 38.85 3a29 n ASN 272 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a29 n GLY 273 N -0.45 -2.20 0.01 7.41 0.00 0.14 -1.66 105.19 108.45 3a29 n GLY 273 Ca 0.45 -1.48 -0.02 0.00 0.00 0.00 0.00 46.02 44.97 3a29 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a29 n LYS 274 N -1.16 1.86 -2.06 1.61 4.81 -1.26 -4.64 118.16 117.31 3a29 n LYS 274 Ca 0.00 0.01 -0.33 0.00 -0.87 0.00 0.00 58.31 57.12 3a29 n LYS 274 Cb 0.06 -1.06 0.01 0.00 0.02 0.00 0.00 35.03 34.06 3a29 n LYS 274 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3a29 s LEU 275 N -4.66 3.53 0.06 3.14 1.43 -1.26 -4.83 118.68 116.09 3a29 s LEU 275 Ca -0.02 1.89 -0.23 0.00 -1.03 0.00 0.00 54.13 54.73 3a29 s LEU 275 Cb 0.01 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.63 3a29 s LEU 275 CO 0.08 -1.21 0.71 -0.13 0.23 0.00 0.00 176.35 176.02 3a29 s ARG 276 N -3.93 4.44 0.04 1.70 3.00 -1.26 -1.12 118.95 121.82 3a29 s ARG 276 Ca 0.65 0.97 -0.26 0.00 0.00 0.00 0.00 55.73 57.09 3a29 s ARG 276 Cb -0.17 -3.33 -0.17 0.00 0.00 0.00 0.00 34.95 31.28 3a29 s ARG 276 CO 0.35 0.39 1.48 1.25 0.00 0.00 0.00 175.30 178.77 3a29 h LEU 277 N 5.31 -0.26 -0.09 2.53 5.85 -1.49 -0.11 115.31 127.05 3a29 h LEU 277 Ca -0.45 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.14 3a29 h LEU 277 Cb 1.21 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3a29 h LEU 277 CO 0.69 -0.03 0.05 -0.07 -0.34 0.00 0.00 178.44 178.74 3a29 h LEU 278 N -0.50 0.11 -2.11 2.25 4.07 -1.80 -0.07 115.31 117.27 3a29 h LEU 278 Ca -0.03 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.85 3a29 h LEU 278 Cb 0.37 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.09 3a29 h LEU 278 CO 0.05 0.16 0.00 0.00 -1.08 0.00 0.00 178.44 177.57 3a29 n TYR 279 N -4.98 0.23 0.08 1.13 0.18 -1.26 -4.43 117.16 108.11 3a29 n TYR 279 Ca -0.06 -0.23 0.00 0.00 1.88 0.00 0.00 57.90 59.49 3a29 n TYR 279 Cb 0.07 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.02 3a29 n TYR 279 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3a29 n GLU 280 N 0.63 0.00 0.15 -3.48 1.02 -0.94 -4.32 120.64 113.70 3a29 n GLU 280 Ca 0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 3a29 n GLU 280 Cb 0.36 -0.35 -0.08 0.00 -0.02 0.00 0.00 31.44 31.35 3a29 n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a29 h ASN 282 N -0.78 -0.63 -0.61 0.00 -0.26 -1.24 0.10 115.58 112.16 3a29 h ASN 282 Ca -0.04 0.08 0.09 0.00 -0.56 0.00 0.00 56.30 55.87 3a29 h ASN 282 Cb 0.51 0.25 -0.07 0.00 -1.06 0.00 0.00 38.32 37.95 3a29 h ASN 282 CO 0.07 -0.29 0.24 -0.65 -1.06 0.00 0.00 177.43 175.74 3a29 h PRO 283 N -0.35 0.41 -0.20 0.81 0.11 -1.77 0.34 132.00 131.35 3a29 h PRO 283 Ca 0.05 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 3a29 h PRO 283 Cb 0.42 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3a29 h PRO 283 CO -0.18 0.27 -0.31 0.52 -0.21 0.00 0.00 178.00 178.09 3a29 h MET 284 N 0.43 0.39 -0.53 1.05 2.86 -1.36 -1.91 114.93 115.86 3a29 h MET 284 Ca 0.31 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.68 3a29 h MET 284 Cb 0.37 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3a29 h MET 284 CO -0.30 0.67 -0.11 0.00 1.06 0.00 0.00 176.91 178.23 3a29 h ALA 285 N 1.33 0.80 -0.19 6.32 0.00 0.15 -1.20 119.26 126.48 3a29 h ALA 285 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3a29 h ALA 285 Cb 0.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3a29 h ALA 285 CO 0.06 0.66 0.08 -0.92 0.00 0.00 0.00 179.25 179.13 3a29 h TYR 286 N 0.89 0.28 -0.09 0.00 3.20 -0.65 -0.07 116.97 120.54 3a29 h TYR 286 Ca 0.14 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.00 3a29 h TYR 286 Cb 0.67 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3a29 h TYR 286 CO 0.04 0.33 -0.01 0.28 -1.64 0.00 0.00 178.16 177.16 3a29 h VAL 287 N 0.15 0.92 -0.09 1.81 2.07 -1.24 -1.09 116.25 118.79 3a29 h VAL 287 Ca 0.06 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3a29 h VAL 287 Cb 0.17 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3a29 h VAL 287 CO -0.01 0.00 -0.08 0.24 0.02 0.00 0.00 177.57 177.75 3a29 h MET 288 N 0.01 -0.10 -0.80 1.57 2.86 -1.03 -1.61 114.93 115.85 3a29 h MET 288 Ca 0.04 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 3a29 h MET 288 Cb 0.06 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 3a29 h MET 288 CO -0.08 -0.06 0.35 0.93 1.06 0.00 0.00 176.91 179.11 3a29 h GLU 289 N -0.10 1.16 0.00 1.72 5.08 -0.83 0.53 114.58 122.14 3a29 h GLU 289 Ca 0.06 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3a29 h GLU 289 Cb 0.19 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3a29 h GLU 289 CO -0.15 0.91 0.00 0.87 -1.00 0.00 0.00 179.01 179.65 3a29 h LYS 290 N 1.14 0.00 -0.34 2.33 1.79 -0.91 -1.80 116.57 118.78 3a29 h LYS 290 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3a29 h LYS 290 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3a29 h LYS 290 CO -0.03 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.34 3a29 n ALA 291 N -1.83 2.43 -0.48 3.86 0.00 -0.59 -4.34 120.51 119.55 3a29 n ALA 291 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3a29 n ALA 291 Cb 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3a29 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a29 n GLY 292 N 1.49 0.75 0.00 0.00 0.00 -0.68 -1.00 105.19 105.75 3a29 n GLY 292 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3a29 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a29 n GLY 293 N -2.48 2.15 3.21 -0.02 0.00 0.18 -4.46 105.19 103.76 3a29 n GLY 293 Ca 0.00 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 3a29 n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a29 s MET 294 N -1.57 0.94 -0.20 1.61 1.00 -0.60 -3.86 119.30 116.61 3a29 s MET 294 Ca 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 55.69 54.30 3a29 s MET 294 Cb 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 34.83 34.47 3a29 s MET 294 CO 0.00 0.04 0.33 0.00 0.00 0.00 0.00 175.02 175.39 3a29 s ALA 295 N -3.23 -0.81 0.13 3.03 0.00 -1.26 -1.51 121.76 118.11 3a29 s ALA 295 Ca 0.13 0.86 0.05 0.00 0.00 0.00 0.00 51.96 53.00 3a29 s ALA 295 Cb 0.02 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 3a29 s ALA 295 CO -0.01 -1.05 -0.12 -0.08 0.00 0.00 0.00 175.76 174.50 3a29 s THR 296 N 2.48 1.19 -1.58 0.00 -1.32 0.01 -1.70 115.64 114.72 3a29 s THR 296 Ca 0.07 -1.86 0.24 0.00 -1.21 0.00 0.00 61.69 58.93 3a29 s THR 296 Cb -0.14 -1.64 0.04 0.00 -1.51 0.00 0.00 72.50 69.25 3a29 s THR 296 CO -0.13 -0.59 1.27 0.35 -2.21 0.00 0.00 174.62 173.31 3a29 n THR 297 N 0.20 0.00 0.00 5.08 -2.24 0.30 -0.37 114.28 117.26 3a29 n THR 297 Ca -0.13 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3a29 n THR 297 Cb 0.59 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 3a29 n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a29 n GLY 298 N 1.42 3.11 0.08 3.38 0.00 -1.26 -4.74 105.19 107.19 3a29 n GLY 298 Ca 0.09 -1.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.10 3a29 n GLY 298 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a29 n LYS 299 N 0.00 0.64 -3.72 1.61 4.81 -1.26 -4.97 118.16 115.27 3a29 n LYS 299 Ca 0.00 0.11 -0.04 0.00 -0.87 0.00 0.00 58.31 57.51 3a29 n LYS 299 Cb 0.00 -1.71 -0.01 0.00 0.02 0.00 0.00 35.03 33.33 3a29 n LYS 299 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3a29 s GLU 300 N -2.93 1.14 0.19 1.64 -1.05 -1.26 -5.13 118.70 111.30 3a29 s GLU 300 Ca -0.05 -0.61 -0.31 0.00 -0.15 0.00 0.00 54.97 53.85 3a29 s GLU 300 Cb 0.09 0.40 -0.10 0.00 -0.44 0.00 0.00 34.13 34.08 3a29 s GLU 300 CO 0.83 -0.52 1.51 0.00 0.95 0.00 0.00 175.26 178.03 3a29 s ALA 301 N -3.26 3.71 0.24 -0.84 0.00 -1.26 -0.54 121.76 119.82 3a29 s ALA 301 Ca 0.11 1.34 -0.06 0.00 0.00 0.00 0.00 51.96 53.36 3a29 s ALA 301 Cb -0.01 -3.60 0.45 0.00 0.00 0.00 0.00 23.12 19.96 3a29 s ALA 301 CO 0.01 -0.76 1.68 0.28 0.00 0.00 0.00 175.76 176.97 3a29 h VAL 302 N 3.86 0.50 0.00 0.00 2.07 -1.63 0.43 116.25 121.48 3a29 h VAL 302 Ca -0.44 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3a29 h VAL 302 Cb 1.21 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3a29 h VAL 302 CO 0.86 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 178.43 3a29 h LEU 303 N 0.24 0.00 0.00 2.57 4.07 -1.90 -2.36 115.31 117.93 3a29 h LEU 303 Ca 0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.37 3a29 h LEU 303 Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 3a29 h LEU 303 CO -0.52 0.00 -0.99 0.47 -1.08 0.00 0.00 178.44 176.32 3a29 n ASP 304 N -2.56 0.63 -4.70 -0.43 8.00 0.14 -0.82 116.55 116.80 3a29 n ASP 304 Ca -0.02 -0.07 -0.42 0.00 0.71 0.00 0.00 54.79 54.99 3a29 n ASP 304 Cb 0.07 0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 41.82 3a29 n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3a29 s VAL 305 N -3.22 2.60 -0.31 2.53 1.01 -0.89 -4.94 120.40 117.18 3a29 s VAL 305 Ca 0.03 0.23 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 3a29 s VAL 305 Cb 0.14 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 3a29 s VAL 305 CO 0.79 0.01 0.51 -0.63 0.00 0.00 0.00 175.10 175.77 3a29 s ILE 306 N 2.18 5.04 0.49 2.22 1.01 -1.26 -4.37 121.20 126.51 3a29 s ILE 306 Ca 0.76 0.57 -0.20 0.00 0.00 0.00 0.00 60.65 61.78 3a29 s ILE 306 Cb -0.45 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.05 3a29 s ILE 306 CO 0.34 -0.08 1.06 -2.84 0.00 0.00 0.00 174.94 173.42 3a29 s PRO 307 N 2.36 3.72 0.00 2.79 0.02 -1.26 -4.96 135.00 137.67 3a29 s PRO 307 Ca 0.20 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.66 3a29 s PRO 307 Cb -0.15 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.25 3a29 s PRO 307 CO 0.12 -0.51 0.00 0.25 -0.33 0.00 0.00 177.00 176.53 3a29 n THR 308 N -0.97 0.00 -3.78 0.99 -2.24 -1.26 -4.82 114.28 102.21 3a29 n THR 308 Ca 0.09 -0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.60 3a29 n THR 308 Cb 0.52 0.57 -0.17 0.00 -2.10 0.00 0.00 70.33 69.15 3a29 n THR 308 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3a29 s ASP 309 N -1.55 0.56 0.61 3.42 1.01 -1.26 -5.04 116.67 114.41 3a29 s ASP 309 Ca 0.00 0.03 0.28 0.00 0.71 0.00 0.00 52.55 53.57 3a29 s ASP 309 Cb 0.00 -0.15 1.47 0.00 1.01 0.00 0.00 42.92 45.25 3a29 s ASP 309 CO 0.00 -0.16 1.87 0.16 0.21 0.00 0.00 175.17 177.25 3a29 h ILE 310 N 6.33 0.28 -0.20 0.77 3.07 -1.94 -0.59 117.51 125.22 3a29 h ILE 310 Ca -0.34 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.07 3a29 h ILE 310 Cb 1.12 0.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.28 3a29 h ILE 310 CO 0.37 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.88 3a29 n HIS 311 N -3.52 0.60 -1.98 0.16 8.25 -1.26 -4.49 115.22 112.98 3a29 n HIS 311 Ca 0.06 -0.82 -0.37 0.00 -0.26 0.00 0.00 57.72 56.33 3a29 n HIS 311 Cb 0.64 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.56 3a29 n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3a29 s GLN 312 N -2.45 3.06 0.56 -0.41 -2.07 -0.23 -4.81 119.66 113.31 3a29 s GLN 312 Ca 0.34 1.92 -0.05 0.00 -1.82 0.00 0.00 55.36 55.75 3a29 s GLN 312 Cb 0.27 -2.04 0.00 0.00 -1.09 0.00 0.00 33.01 30.16 3a29 s GLN 312 CO 0.08 -1.16 0.85 1.03 -1.32 0.00 0.00 175.29 174.78 3a29 s ARG 313 N -3.18 3.00 -0.24 9.60 3.00 -1.26 -1.37 118.95 128.50 3a29 s ARG 313 Ca 0.75 -0.06 -0.18 0.00 0.00 0.00 0.00 55.73 56.24 3a29 s ARG 313 Cb -0.33 -2.33 0.07 0.00 0.00 0.00 0.00 34.95 32.36 3a29 s ARG 313 CO 0.36 -0.58 0.62 0.00 0.00 0.00 0.00 175.30 175.70 3a29 s ALA 314 N -2.90 -1.59 0.74 2.13 0.00 -0.28 -4.66 121.76 115.20 3a29 s ALA 314 Ca 0.52 1.95 -0.11 0.00 0.00 0.00 0.00 51.96 54.33 3a29 s ALA 314 Cb -0.10 -1.15 0.03 0.00 0.00 0.00 0.00 23.12 21.90 3a29 s ALA 314 CO 0.44 -0.32 1.08 -2.14 0.00 0.00 0.00 175.76 174.82 3a29 s PRO 315 N 0.90 2.57 -0.21 0.00 0.02 -1.24 -4.15 135.00 132.90 3a29 s PRO 315 Ca -0.05 1.06 -0.11 0.00 0.02 0.00 0.00 61.00 61.92 3a29 s PRO 315 Cb -0.05 -1.94 0.07 0.00 0.02 0.00 0.00 34.50 32.60 3a29 s PRO 315 CO -0.08 -1.39 0.50 0.54 -0.33 0.00 0.00 177.00 176.25 3a29 s VAL 316 N -2.97 -0.05 -0.17 3.83 0.11 -0.90 -4.35 120.40 115.89 3a29 s VAL 316 Ca 0.60 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.71 3a29 s VAL 316 Cb -0.16 -0.74 0.04 0.00 -1.53 0.00 0.00 36.38 34.00 3a29 s VAL 316 CO 0.56 0.03 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.68 3a29 s ILE 317 N 1.54 1.06 0.22 7.04 1.09 0.51 -1.85 121.20 130.81 3a29 s ILE 317 Ca -0.09 -0.63 -0.00 0.00 -1.10 0.00 0.00 60.65 58.83 3a29 s ILE 317 Cb -0.07 -1.26 -0.04 0.00 -1.06 0.00 0.00 42.46 40.02 3a29 s ILE 317 CO -0.15 0.10 0.13 -1.48 -0.10 0.00 0.00 174.94 173.44 3a29 s LEU 318 N 1.65 1.29 0.00 2.97 0.05 -0.71 -0.81 118.68 123.12 3a29 s LEU 318 Ca 0.00 -1.41 0.00 0.00 0.05 0.00 0.00 54.13 52.77 3a29 s LEU 318 Cb -0.15 0.31 0.00 0.00 -2.05 0.00 0.00 46.19 44.29 3a29 s LEU 318 CO -0.08 -0.83 0.00 0.61 -0.55 0.00 0.00 176.35 175.50 3a29 n GLY 319 N -0.34 0.62 3.70 -3.48 0.00 -0.57 -1.16 105.19 103.97 3a29 n GLY 319 Ca 0.02 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 3a29 n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a29 n SER 320 N 0.00 3.09 -0.04 1.61 7.64 -0.06 -1.56 113.62 124.30 3a29 n SER 320 Ca 0.00 1.17 -0.08 0.00 1.01 0.00 0.00 58.87 60.97 3a29 n SER 320 Cb 0.00 -1.50 -0.02 0.00 -1.01 0.00 0.00 64.21 61.68 3a29 n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3a29 h PRO 321 N 3.69 -0.18 -0.97 1.43 0.13 -1.76 -0.98 132.00 133.36 3a29 h PRO 321 Ca -0.46 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 3a29 h PRO 321 Cb 1.26 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.35 3a29 h PRO 321 CO 0.71 -0.12 0.60 -0.44 -0.23 0.00 0.00 178.00 178.51 3a29 h ASP 322 N -0.19 0.87 -0.25 1.44 5.19 -1.71 0.15 116.42 121.93 3a29 h ASP 322 Ca 0.13 0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.49 3a29 h ASP 322 Cb 0.39 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.77 3a29 h ASP 322 CO -0.34 0.47 -0.22 0.44 -3.12 0.00 0.00 179.24 176.46 3a29 h ASP 323 N 0.95 0.62 -0.41 6.45 3.45 -1.60 -1.73 116.42 124.17 3a29 h ASP 323 Ca 0.48 -0.46 -0.10 0.00 0.43 0.00 0.00 57.03 57.37 3a29 h ASP 323 Cb 0.47 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 3a29 h ASP 323 CO -0.26 0.96 -0.15 0.58 -1.57 0.00 0.00 179.24 178.79 3a29 h VAL 324 N 0.30 1.28 -0.76 -1.35 2.07 -0.72 -1.63 116.25 115.44 3a29 h VAL 324 Ca 0.04 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.33 3a29 h VAL 324 Cb 0.77 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 3a29 h VAL 324 CO 0.06 0.43 0.47 -0.07 0.02 0.00 0.00 177.57 178.47 3a29 h LEU 325 N 0.63 0.75 -0.69 2.57 -0.00 -0.72 0.37 115.31 118.22 3a29 h LEU 325 Ca 0.10 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 3a29 h LEU 325 Cb 0.70 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.18 3a29 h LEU 325 CO 0.05 0.50 0.36 -0.08 -0.00 0.00 0.00 178.44 179.27 3a29 h GLU 326 N 0.89 0.98 -0.45 1.13 4.81 -1.07 -0.53 114.58 120.33 3a29 h GLU 326 Ca 0.32 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3a29 h GLU 326 Cb 0.09 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3a29 h GLU 326 CO -0.14 0.75 0.25 0.35 -0.73 0.00 0.00 179.01 179.50 3a29 h PHE 327 N 0.95 0.61 0.00 0.92 3.57 -0.25 -1.78 116.94 120.96 3a29 h PHE 327 Ca 0.24 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3a29 h PHE 327 Cb 0.07 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 3a29 h PHE 327 CO -0.00 0.45 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.44 3a29 h LEU 328 N 0.59 0.00 -0.09 0.59 3.38 -0.32 0.17 115.31 119.63 3a29 h LEU 328 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3a29 h LEU 328 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3a29 h LEU 328 CO -0.03 0.02 0.01 0.11 0.09 0.00 0.00 178.44 178.65 3a29 h LYS 329 N 0.00 0.15 -0.39 1.13 1.79 -0.25 -0.32 116.57 118.68 3a29 h LYS 329 Ca -0.00 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3a29 h LYS 329 Cb 0.05 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 3a29 h LYS 329 CO 0.00 0.37 0.14 0.28 -1.08 0.00 0.00 179.45 179.16 3a29 h VAL 330 N -0.08 1.20 -0.37 0.50 2.07 -0.90 -1.65 116.25 117.02 3a29 h VAL 330 Ca 0.03 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 66.97 3a29 h VAL 330 Cb 0.29 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3a29 h VAL 330 CO 0.00 0.23 -0.02 0.22 0.02 0.00 0.00 177.57 178.02 3a29 h TYR 331 N 0.49 -0.06 -0.91 1.57 3.20 -0.55 -1.60 116.97 119.11 3a29 h TYR 331 Ca 0.13 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.03 3a29 h TYR 331 Cb 0.22 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 3a29 h TYR 331 CO 0.00 -0.09 0.59 0.93 -1.64 0.00 0.00 178.16 177.95 3a29 h GLU 332 N 0.07 1.20 -0.09 1.82 5.08 -0.81 -1.27 114.58 120.60 3a29 h GLU 332 Ca 0.18 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3a29 h GLU 332 Cb 0.25 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3a29 h GLU 332 CO -0.32 0.81 0.13 -0.22 -1.00 0.00 0.00 179.01 178.41 3a29 h LYS 333 N 1.23 0.00 -0.42 2.33 3.64 -0.32 0.32 116.57 123.34 3a29 h LYS 333 Ca 0.33 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 3a29 h LYS 333 Cb -0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3a29 h LYS 333 CO -0.07 0.00 0.01 0.72 -2.27 0.00 0.00 179.45 177.85 3a29 n HIS 334 N -3.57 1.51 -0.26 1.91 8.25 -0.49 -5.11 115.22 117.47 3a29 n HIS 334 Ca -0.01 -0.85 0.00 0.00 -0.26 0.00 0.00 57.72 56.60 3a29 n HIS 334 Cb 0.23 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.91 3a29 n HIS 334 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85