#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 2.02 -0.00 2.12 0.11 -1.26 -5.03 120.40 118.36 3a29 s VAL 10 Ca 0.00 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 3a29 s VAL 10 Cb 0.00 -3.01 -0.00 0.00 -1.53 0.00 0.00 36.38 31.84 3a29 s VAL 10 CO 0.00 0.00 -0.04 0.21 -3.33 0.00 0.00 175.10 171.94 3a29 s ASN 11 N -0.84 0.46 0.33 3.54 3.84 -1.26 -5.08 114.94 115.93 3a29 s ASN 11 Ca 0.70 -0.07 0.09 0.00 0.21 0.00 0.00 52.86 53.79 3a29 s ASN 11 Cb -0.42 -0.06 -0.05 0.00 -0.55 0.00 0.00 41.25 40.17 3a29 s ASN 11 CO 0.50 0.04 0.02 0.42 -2.79 0.00 0.00 177.10 175.30 3a29 s THR 12 N -0.06 2.75 0.19 -5.21 -4.23 -1.26 -1.17 115.64 106.65 3a29 s THR 12 Ca 0.01 -1.95 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 3a29 s THR 12 Cb -0.02 -2.81 0.12 0.00 1.34 0.00 0.00 72.50 71.14 3a29 s THR 12 CO -0.00 -0.22 1.83 0.25 -0.54 0.00 0.00 174.62 175.93 3a29 h LEU 13 N 1.80 0.83 -0.06 4.79 5.85 -1.34 -0.57 115.31 126.61 3a29 h LEU 13 Ca -0.43 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.23 3a29 h LEU 13 Cb 1.25 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3a29 h LEU 13 CO 0.65 0.66 -0.01 0.74 -0.34 0.00 0.00 178.44 180.14 3a29 h THR 14 N 0.93 0.94 -0.56 1.05 2.02 -1.96 0.46 112.91 115.79 3a29 h THR 14 Ca 0.24 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 3a29 h THR 14 Cb -0.01 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3a29 h THR 14 CO -0.04 0.00 0.25 -0.09 0.37 0.00 0.00 175.52 176.01 3a29 h ARG 15 N 0.00 0.82 -0.10 6.66 2.43 -1.91 -1.25 114.38 121.04 3a29 h ARG 15 Ca 0.03 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3a29 h ARG 15 Cb 0.04 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3a29 h ARG 15 CO -0.06 0.69 0.06 0.35 -1.51 0.00 0.00 179.97 179.50 3a29 h PHE 16 N 0.76 0.11 -0.41 2.20 3.57 -0.85 -1.49 116.94 120.84 3a29 h PHE 16 Ca 0.19 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3a29 h PHE 16 Cb 0.16 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3a29 h PHE 16 CO 0.00 0.07 0.18 0.28 -2.23 0.00 0.00 178.31 176.62 3a29 h VAL 17 N 0.13 1.18 -0.79 1.41 2.07 -0.78 -1.78 116.25 117.70 3a29 h VAL 17 Ca 0.04 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3a29 h VAL 17 Cb -0.01 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3a29 h VAL 17 CO -0.01 0.20 0.41 -0.03 0.02 0.00 0.00 177.57 178.16 3a29 h MET 18 N 0.52 1.11 -0.24 1.57 1.85 -1.11 -0.34 114.93 118.28 3a29 h MET 18 Ca 0.14 -0.14 -0.05 0.00 -0.61 0.00 0.00 59.70 59.04 3a29 h MET 18 Cb 0.15 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 31.96 3a29 h MET 18 CO -0.01 0.83 -0.06 1.49 -0.40 0.00 0.00 176.91 178.76 3a29 h GLU 19 N 1.11 0.46 -0.64 0.39 4.57 -1.00 0.74 114.58 120.20 3a29 h GLU 19 Ca 0.27 -0.18 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 3a29 h GLU 19 Cb 0.06 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3a29 h GLU 19 CO -0.04 0.69 0.23 0.93 -1.18 0.00 0.00 179.01 179.64 3a29 h GLU 20 N 0.20 0.95 -0.50 1.92 4.39 -1.13 -1.31 114.58 119.10 3a29 h GLU 20 Ca 0.06 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 3a29 h GLU 20 Cb 0.52 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 3a29 h GLU 20 CO 0.02 0.80 0.09 0.78 -1.16 0.00 0.00 179.01 179.53 3a29 h GLY 21 N 1.03 0.90 0.80 -3.84 0.00 -0.84 -1.90 103.07 99.21 3a29 h GLY 21 Ca 0.22 -0.59 0.05 0.00 0.00 0.00 0.00 47.33 47.00 3a29 h GLY 21 CO -0.02 0.55 0.53 3.21 0.00 0.00 0.00 176.54 180.81 3a29 h ARG 22 N 0.71 0.97 -0.58 4.80 3.08 -0.34 -2.52 114.38 120.50 3a29 h ARG 22 Ca 0.15 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 3a29 h ARG 22 Cb 0.39 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3a29 h ARG 22 CO 0.01 0.64 -0.05 0.87 -1.07 0.00 0.00 179.97 180.37 3a29 h LYS 23 N 1.00 1.05 -0.05 0.04 1.57 -0.94 -2.79 116.57 116.45 3a29 h LYS 23 Ca 0.35 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3a29 h LYS 23 Cb 0.09 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3a29 h LYS 23 CO -0.14 1.05 0.08 0.00 -0.57 0.00 0.00 179.45 179.87 3a29 h ALA 24 N 0.96 1.49 -5.95 3.86 0.00 -0.91 -3.46 119.26 115.25 3a29 h ALA 24 Ca 0.16 -0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.67 3a29 h ALA 24 Cb 0.61 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.50 3a29 h ALA 24 CO 0.04 -0.10 -0.80 0.54 0.00 0.00 0.00 179.25 178.93 3a29 n ARG 25 N -3.63 -5.69 0.00 0.00 1.74 -1.06 -5.00 116.66 103.02 3a29 n ARG 25 Ca -0.02 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 3a29 n ARG 25 Cb 0.17 -5.47 0.00 0.00 -1.02 0.00 0.00 32.46 26.14 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 -1.47 3.88 0.18 -0.13 0.00 -1.26 -5.03 105.19 101.36 3a29 n GLY 26 Ca -0.25 -1.84 0.07 0.00 0.00 0.00 0.00 46.02 44.00 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 0.46 0.00 2.61 1.35 -1.94 -3.47 112.91 111.91 3a29 h THR 27 Ca 0.00 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 3a29 h THR 27 Cb 0.00 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3a29 h THR 27 CO 0.00 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 3a29 n GLY 28 N 1.17 0.79 0.06 5.82 0.00 -1.26 -4.98 105.19 106.78 3a29 n GLY 28 Ca 0.03 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 3.46 -0.03 -0.55 1.61 4.81 -1.98 -2.65 114.58 119.25 3a29 h GLU 29 Ca 0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3a29 h GLU 29 Cb 0.00 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3a29 h GLU 29 CO 0.00 0.14 0.37 1.25 -0.73 0.00 0.00 179.01 180.03 3a29 h LEU 30 N -0.19 0.42 -0.39 1.64 5.85 -1.93 -0.33 115.31 120.37 3a29 h LEU 30 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3a29 h LEU 30 Cb 0.18 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3a29 h LEU 30 CO 0.01 0.27 0.21 0.74 -0.34 0.00 0.00 178.44 179.32 3a29 h THR 31 N 0.48 1.16 -0.62 1.05 2.02 -1.84 0.85 112.91 116.00 3a29 h THR 31 Ca 0.24 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 3a29 h THR 31 Cb 0.34 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3a29 h THR 31 CO -0.07 0.17 0.12 1.56 0.37 0.00 0.00 175.52 177.67 3a29 h GLN 32 N 0.50 1.00 0.27 6.66 1.08 -0.82 -0.22 115.11 123.58 3a29 h GLN 32 Ca 0.14 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3a29 h GLN 32 Cb 0.08 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3a29 h GLN 32 CO -0.02 0.91 -0.13 1.25 -0.95 0.00 0.00 178.83 179.89 3a29 h LEU 33 N 0.95 -0.31 -0.84 1.46 6.46 -0.68 -1.07 115.31 121.28 3a29 h LEU 33 Ca 0.20 -0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.91 3a29 h LEU 33 Cb 0.38 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 3a29 h LEU 33 CO 0.01 -0.14 0.55 -0.07 -0.62 0.00 0.00 178.44 178.16 3a29 h LEU 34 N -0.45 0.97 -0.46 2.25 3.38 -0.67 -0.30 115.31 120.03 3a29 h LEU 34 Ca -0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3a29 h LEU 34 Cb 0.34 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3a29 h LEU 34 CO 0.06 0.71 0.28 0.78 0.09 0.00 0.00 178.44 180.36 3a29 h ASN 35 N 1.14 0.54 -0.74 -0.43 -0.26 -0.91 0.44 115.58 115.36 3a29 h ASN 35 Ca 0.31 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.99 3a29 h ASN 35 Cb -0.12 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 36.97 3a29 h ASN 35 CO -0.06 0.43 0.43 0.28 -1.06 0.00 0.00 177.43 177.44 3a29 h SER 36 N 0.61 0.91 -0.49 5.81 0.02 -0.67 -1.50 113.55 118.24 3a29 h SER 36 Ca 0.16 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3a29 h SER 36 Cb -0.02 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 3a29 h SER 36 CO -0.03 0.72 0.22 0.25 -1.14 0.00 0.00 176.83 176.85 3a29 h LEU 37 N 1.01 0.65 -0.48 5.07 5.85 -0.67 -1.23 115.31 125.52 3a29 h LEU 37 Ca 0.26 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3a29 h LEU 37 Cb 0.00 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3a29 h LEU 37 CO -0.05 0.61 0.23 0.00 -0.34 0.00 0.00 178.44 178.90 3a29 h THR 39 N 0.46 1.22 -0.59 0.00 2.02 -1.02 -1.97 112.91 113.02 3a29 h THR 39 Ca 0.22 -0.68 0.03 0.00 0.77 0.00 0.00 66.41 66.74 3a29 h THR 39 Cb 0.14 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 3a29 h THR 39 CO -0.16 0.26 0.36 0.00 0.37 0.00 0.00 175.52 176.34 3a29 h ALA 40 N 1.04 0.76 -0.78 6.16 0.00 -0.57 -1.64 119.26 124.23 3a29 h ALA 40 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a29 h ALA 40 Cb 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3a29 h ALA 40 CO -0.01 0.10 0.49 0.28 0.00 0.00 0.00 179.25 180.11 3a29 h VAL 41 N 0.71 1.21 -0.18 0.00 2.07 -0.50 0.44 116.25 120.01 3a29 h VAL 41 Ca 0.23 -0.42 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 3a29 h VAL 41 Cb 0.01 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 3a29 h VAL 41 CO -0.10 0.21 -0.45 0.11 0.02 0.00 0.00 177.57 177.36 3a29 h LYS 42 N 1.06 0.46 -0.48 1.57 1.57 -0.81 -0.43 116.57 119.51 3a29 h LYS 42 Ca 0.28 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3a29 h LYS 42 Cb -0.08 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3a29 h LYS 42 CO -0.06 0.82 0.10 0.00 -0.57 0.00 0.00 179.45 179.74 3a29 h ALA 43 N 1.14 0.64 -0.35 3.86 0.00 -0.37 -0.87 119.26 123.31 3a29 h ALA 43 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3a29 h ALA 43 Cb 0.94 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3a29 h ALA 43 CO 0.08 0.35 0.12 0.82 0.00 0.00 0.00 179.25 180.62 3a29 h ILE 44 N 0.66 1.20 -0.46 0.00 2.04 -0.75 -2.18 117.51 118.03 3a29 h ILE 44 Ca 0.15 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.40 3a29 h ILE 44 Cb 0.36 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3a29 h ILE 44 CO 0.01 0.23 0.20 -1.28 0.00 0.00 0.00 178.15 177.31 3a29 h SER 45 N 0.42 0.26 -0.53 1.72 0.87 -0.83 0.30 113.55 115.76 3a29 h SER 45 Ca 0.11 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 3a29 h SER 45 Cb 0.24 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 3a29 h SER 45 CO -0.00 0.19 0.25 -1.28 -0.53 0.00 0.00 176.83 175.46 3a29 h SER 46 N 0.40 0.35 -0.46 6.23 0.87 -0.94 -0.96 113.55 119.04 3a29 h SER 46 Ca 0.21 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.68 3a29 h SER 46 Cb 0.16 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3a29 h SER 46 CO -0.17 0.24 -0.16 0.00 -0.53 0.00 0.00 176.83 176.20 3a29 h ALA 47 N 1.30 0.78 -0.65 6.23 0.00 -0.69 -2.63 119.26 123.60 3a29 h ALA 47 Ca 0.24 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3a29 h ALA 47 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3a29 h ALA 47 CO -0.18 0.66 0.24 0.28 0.00 0.00 0.00 179.25 180.25 3a29 h VAL 48 N 0.84 1.23 0.00 0.00 2.07 0.16 -1.01 116.25 119.54 3a29 h VAL 48 Ca 0.12 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3a29 h VAL 48 Cb 0.72 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3a29 h VAL 48 CO 0.06 0.30 0.00 0.54 0.02 0.00 0.00 177.57 178.48 3a29 n ARG 49 N -4.30 0.85 -2.64 1.57 3.00 -0.42 -4.88 116.66 109.84 3a29 n ARG 49 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.77 3a29 n ARG 49 Cb 0.19 -1.18 0.02 0.00 0.00 0.00 0.00 32.46 31.48 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 -0.68 -2.57 -1.85 5.56 4.76 -0.38 -4.98 118.16 118.01 3a29 n LYS 50 Ca 0.07 0.50 -0.42 0.00 -2.87 0.00 0.00 58.31 55.60 3a29 n LYS 50 Cb 0.03 -4.51 -0.03 0.00 -1.84 0.00 0.00 35.03 28.69 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 -2.86 3.79 0.00 7.82 0.00 -1.00 -2.02 121.76 127.49 3a29 s ALA 51 Ca 0.15 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3a29 s ALA 51 Cb -0.07 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3a29 s ALA 51 CO 0.19 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.50 3a29 n GLY 52 N 3.22 0.55 0.28 0.00 0.00 -1.26 -4.87 105.19 103.11 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 0.50 -0.62 -0.61 2.10 -1.81 -2.01 117.51 115.05 3a29 h ILE 53 Ca 0.00 -0.26 0.04 0.00 1.08 0.00 0.00 64.86 65.72 3a29 h ILE 53 Cb 0.06 1.17 -0.04 0.00 -1.09 0.00 0.00 36.82 36.93 3a29 h ILE 53 CO 0.00 0.06 0.41 0.00 -1.08 0.00 0.00 178.15 177.54 3a29 h ALA 54 N 1.94 1.70 -0.01 0.18 0.00 -1.90 -0.23 119.26 120.93 3a29 h ALA 54 Ca -0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3a29 h ALA 54 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3a29 h ALA 54 CO 0.01 0.22 -0.48 0.45 0.00 0.00 0.00 179.25 179.45 3a29 h HIS 55 N 0.70 0.03 0.00 0.00 3.86 -1.76 -1.64 115.15 116.34 3a29 h HIS 55 Ca 0.25 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.37 3a29 h HIS 55 Cb 0.13 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 3a29 h HIS 55 CO -0.00 0.50 -0.40 -0.07 0.86 0.00 0.00 177.93 178.81 3a29 h LEU 56 N 0.02 0.00 -3.23 2.43 3.38 -1.12 -2.85 115.31 113.94 3a29 h LEU 56 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3a29 h LEU 56 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3a29 h LEU 56 CO 0.06 0.40 0.03 -1.22 0.09 0.00 0.00 178.44 177.81 3a29 n TYR 57 N -3.81 1.85 -1.51 1.13 4.02 -0.88 -4.94 117.16 113.01 3a29 n TYR 57 Ca -0.01 -0.68 -0.01 0.00 -0.01 0.00 0.00 57.90 57.19 3a29 n TYR 57 Cb 0.47 -0.48 -0.00 0.00 -0.02 0.00 0.00 39.34 39.31 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 0.45 0.39 0.34 2.72 0.00 -1.07 -4.96 105.19 103.06 3a29 n GLY 58 Ca 0.25 -0.96 0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 0.97 -0.49 -0.61 2.10 -1.51 -0.81 117.51 117.17 3a29 h ILE 59 Ca -0.02 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.75 3a29 h ILE 59 Cb 0.53 0.43 0.00 0.00 -1.09 0.00 0.00 36.82 36.68 3a29 h ILE 59 CO 0.02 0.09 0.00 0.00 -1.08 0.00 0.00 178.15 177.18 3a29 n ALA 60 N -2.49 3.42 -0.15 0.18 0.00 -1.26 -5.07 120.51 115.14 3a29 n ALA 60 Ca 0.08 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.57 3a29 n ALA 60 Cb 0.26 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.38 0.72 0.00 0.00 0.00 -0.31 -5.20 105.19 100.78 3a29 n GLY 61 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3a29 n GLY 61 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a29 n LYS 71 N -2.06 0.00 -3.87 1.61 2.85 -1.26 -4.75 118.16 110.69 3a29 n LYS 71 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 3a29 n LYS 71 Cb 0.00 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.24 3a29 n LYS 71 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3a29 s LYS 72 N 0.00 0.02 0.32 -1.58 2.47 -1.26 -5.03 119.74 114.68 3a29 s LYS 72 Ca 0.00 0.02 0.00 0.00 -1.56 0.00 0.00 55.97 54.43 3a29 s LYS 72 Cb 0.00 0.01 0.54 0.00 -1.46 0.00 0.00 37.83 36.92 3a29 s LYS 72 CO 0.00 -0.00 1.99 1.25 0.16 0.00 0.00 175.35 178.74 3a29 h LEU 73 N 6.10 0.83 -0.02 5.43 5.85 -1.99 -0.19 115.31 131.33 3a29 h LEU 73 Ca -0.24 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3a29 h LEU 73 Cb 1.21 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3a29 h LEU 73 CO 0.50 0.61 0.01 0.44 -0.34 0.00 0.00 178.44 179.66 3a29 h ASP 74 N 0.98 0.02 -0.54 1.25 3.45 -1.96 0.29 116.42 119.91 3a29 h ASP 74 Ca 0.26 -0.09 -0.11 0.00 0.43 0.00 0.00 57.03 57.53 3a29 h ASP 74 Cb -0.10 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 3a29 h ASP 74 CO -0.06 0.11 -0.08 0.58 -1.57 0.00 0.00 179.24 178.22 3a29 h VAL 75 N -0.06 1.27 -0.43 -1.35 2.07 -1.88 -1.14 116.25 114.73 3a29 h VAL 75 Ca 0.01 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 3a29 h VAL 75 Cb 0.09 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3a29 h VAL 75 CO -0.00 0.43 0.18 0.25 0.02 0.00 0.00 177.57 178.46 3a29 h LEU 76 N 0.89 0.59 -0.83 2.57 5.85 -0.95 -0.71 115.31 122.72 3a29 h LEU 76 Ca 0.14 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3a29 h LEU 76 Cb 0.64 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3a29 h LEU 76 CO 0.04 0.58 0.55 0.28 -0.34 0.00 0.00 178.44 179.55 3a29 h SER 77 N 0.56 0.94 -0.53 1.25 0.02 -0.75 -0.53 113.55 114.49 3a29 h SER 77 Ca 0.15 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 3a29 h SER 77 Cb 0.17 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3a29 h SER 77 CO -0.01 0.67 -0.07 -1.13 -1.14 0.00 0.00 176.83 175.15 3a29 h ASN 78 N 1.11 0.98 -0.51 3.07 -1.24 -0.88 -2.14 115.58 115.97 3a29 h ASN 78 Ca 0.31 -0.34 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 3a29 h ASN 78 Cb -0.10 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.66 3a29 h ASN 78 CO -0.08 1.09 0.30 0.44 -1.29 0.00 0.00 177.43 177.89 3a29 h ASP 79 N 0.86 0.61 0.35 1.15 3.32 -0.61 0.35 116.42 122.44 3a29 h ASP 79 Ca 0.14 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3a29 h ASP 79 Cb 0.62 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3a29 h ASP 79 CO 0.04 0.49 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.73 3a29 h LEU 80 N 0.68 -0.66 -0.13 1.55 3.38 -0.90 0.14 115.31 119.37 3a29 h LEU 80 Ca 0.18 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3a29 h LEU 80 Cb -0.00 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3a29 h LEU 80 CO -0.03 -0.39 0.08 0.58 0.09 0.00 0.00 178.44 178.77 3a29 h VAL 81 N -0.60 1.05 -0.21 1.22 2.07 -1.28 -0.56 116.25 117.93 3a29 h VAL 81 Ca -0.03 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3a29 h VAL 81 Cb 0.52 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 3a29 h VAL 81 CO 0.00 0.04 -0.14 0.24 0.02 0.00 0.00 177.57 177.74 3a29 h MET 82 N 0.16 -0.12 -0.44 1.57 2.86 -0.78 -0.29 114.93 117.88 3a29 h MET 82 Ca 0.05 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 3a29 h MET 82 Cb 0.00 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3a29 h MET 82 CO -0.01 -0.08 -0.07 -0.91 1.06 0.00 0.00 176.91 176.90 3a29 h ASN 83 N -0.13 0.83 -0.53 1.22 2.35 -0.61 -1.70 115.58 117.01 3a29 h ASN 83 Ca 0.12 -0.34 -0.07 0.00 -0.55 0.00 0.00 56.30 55.46 3a29 h ASN 83 Cb 0.31 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3a29 h ASN 83 CO -0.29 0.98 0.05 0.24 -1.65 0.00 0.00 177.43 176.76 3a29 h MET 84 N 0.67 0.89 -0.13 0.81 2.86 -0.88 -1.79 114.93 117.36 3a29 h MET 84 Ca 0.12 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 3a29 h MET 84 Cb 0.59 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3a29 h MET 84 CO 0.04 0.89 -0.03 -0.07 1.06 0.00 0.00 176.91 178.80 3a29 h LEU 85 N 0.77 0.25 -0.30 1.22 3.38 -1.04 -2.52 115.31 117.08 3a29 h LEU 85 Ca 0.16 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.81 3a29 h LEU 85 Cb 0.45 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3a29 h LEU 85 CO 0.02 0.55 -0.00 0.11 0.09 0.00 0.00 178.44 179.21 3a29 h LYS 86 N -0.07 0.08 0.00 1.13 1.57 -1.28 -1.27 116.57 116.73 3a29 h LYS 86 Ca 0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3a29 h LYS 86 Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3a29 h LYS 86 CO 0.01 0.05 0.00 -1.13 -0.57 0.00 0.00 179.45 177.82 3a29 n SER 87 N -5.17 0.00 0.16 0.86 3.41 -0.68 -2.35 113.62 109.86 3a29 n SER 87 Ca -0.00 -0.39 0.12 0.00 -0.26 0.00 0.00 58.87 58.35 3a29 n SER 87 Cb 0.15 -0.09 0.24 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.78 4.04 4.64 -0.77 -3.47 113.55 117.21 3a29 h SER 88 Ca 0.00 -0.01 -0.34 0.00 -0.47 0.00 0.00 61.79 60.97 3a29 h SER 88 Cb 0.05 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.01 3a29 h SER 88 CO 0.00 0.01 -0.30 0.49 -0.87 0.00 0.00 176.83 176.15 3a29 n PHE 89 N -2.70 0.00 0.27 4.77 3.01 -0.99 -4.76 117.46 117.06 3a29 n PHE 89 Ca 0.04 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.54 3a29 n PHE 89 Cb 0.49 -2.86 0.04 0.00 -0.01 0.00 0.00 39.48 37.14 3a29 n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3a29 n ALA 90 N 1.30 2.44 -2.40 4.37 0.00 -1.26 -3.55 120.51 121.42 3a29 n ALA 90 Ca -0.16 -0.63 -0.21 0.00 0.00 0.00 0.00 53.44 52.44 3a29 n ALA 90 Cb 0.55 -0.27 -0.10 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.70 2.02 0.00 0.00 -4.23 -1.26 -1.27 115.64 110.19 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 0.07 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.75 3a29 s THR 91 CO 0.10 -0.51 0.00 0.00 -0.54 0.00 0.00 174.62 173.67 3a29 s VAL 93 N -1.48 0.65 -0.14 0.00 1.01 -1.25 -1.17 120.40 118.03 3a29 s VAL 93 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3a29 s VAL 93 Cb 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.75 3a29 s VAL 93 CO 0.00 0.25 -0.16 -0.76 0.00 0.00 0.00 175.10 174.43 3a29 s LEU 94 N 0.82 1.76 -0.19 3.92 1.43 0.28 -1.78 118.68 124.92 3a29 s LEU 94 Ca -0.12 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 3a29 s LEU 94 Cb -0.15 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 3a29 s LEU 94 CO 0.01 -0.01 -0.06 -0.69 0.23 0.00 0.00 176.35 175.82 3a29 s VAL 95 N 1.24 3.38 -0.00 -1.59 1.01 0.01 0.02 120.40 124.47 3a29 s VAL 95 Ca -0.00 -0.51 0.05 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 -0.07 0.46 -0.17 -0.55 0.00 0.00 0.00 175.10 174.77 3a29 s SER 96 N 1.04 2.04 0.65 3.32 0.15 -1.26 -0.83 113.70 118.81 3a29 s SER 96 Ca 0.00 -0.35 0.33 0.00 0.70 0.00 0.00 55.95 56.64 3a29 s SER 96 Cb -0.15 -0.21 1.83 0.00 -1.71 0.00 0.00 66.02 65.78 3a29 s SER 96 CO -0.00 0.19 2.06 -0.08 1.20 0.00 0.00 173.24 176.61 3a29 h GLU 97 N 5.56 0.00 0.00 5.44 4.22 -1.84 -1.39 114.58 126.57 3a29 h GLU 97 Ca -0.37 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.07 3a29 h GLU 97 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3a29 h GLU 97 CO 0.47 0.00 -0.67 0.39 -2.18 0.00 0.00 179.01 177.02 3a29 n GLU 98 N -3.14 0.28 -5.04 1.92 -0.58 -1.26 -4.89 120.64 107.94 3a29 n GLU 98 Ca -0.01 0.07 -0.32 0.00 -0.42 0.00 0.00 57.16 56.48 3a29 n GLU 98 Cb 0.31 -1.66 -0.15 0.00 -0.57 0.00 0.00 31.44 29.37 3a29 n GLU 98 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3a29 s ASP 99 N -4.12 3.59 0.19 1.62 1.01 -0.52 -5.02 116.67 113.41 3a29 s ASP 99 Ca 0.06 -0.37 -0.12 0.00 0.71 0.00 0.00 52.55 52.84 3a29 s ASP 99 Cb 0.14 -1.01 0.11 0.00 1.01 0.00 0.00 42.92 43.17 3a29 s ASP 99 CO 0.73 0.26 1.82 0.50 0.21 0.00 0.00 175.17 178.69 3a29 h LYS 100 N 5.97 0.89 -6.29 8.23 3.64 -1.90 -3.43 116.57 123.69 3a29 h LYS 100 Ca -0.35 -0.09 -0.59 0.00 -1.27 0.00 0.00 60.65 58.35 3a29 h LYS 100 Cb 1.18 -0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 32.71 3a29 h LYS 100 CO 0.50 0.65 -0.63 -1.01 -2.27 0.00 0.00 179.45 176.69 3a29 s HIS 101 N -5.93 2.88 0.40 1.91 3.76 -1.26 -4.99 115.29 112.06 3a29 s HIS 101 Ca -0.13 -0.13 -0.26 0.00 -0.15 0.00 0.00 55.06 54.39 3a29 s HIS 101 Cb 0.14 -1.37 -0.09 0.00 1.11 0.00 0.00 32.58 32.37 3a29 s HIS 101 CO 0.78 0.53 1.26 0.00 -0.85 0.00 0.00 174.74 176.46 3a29 s ALA 102 N -1.85 3.25 -0.14 -1.40 0.00 -1.26 -4.80 121.76 115.55 3a29 s ALA 102 Ca 0.29 1.15 -0.18 0.00 0.00 0.00 0.00 51.96 53.21 3a29 s ALA 102 Cb -0.09 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3a29 s ALA 102 CO 0.20 -0.71 0.49 0.42 0.00 0.00 0.00 175.76 176.16 3a29 s ILE 103 N -1.29 5.16 -0.31 0.00 -1.09 0.10 -4.92 121.20 118.85 3a29 s ILE 103 Ca 0.56 0.96 -0.12 0.00 -2.23 0.00 0.00 60.65 59.82 3a29 s ILE 103 Cb -0.36 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.66 3a29 s ILE 103 CO 0.46 0.28 0.22 -0.63 -1.23 0.00 0.00 174.94 174.03 3a29 s ILE 104 N 0.96 5.29 0.33 2.92 -1.09 -1.26 -0.56 121.20 127.79 3a29 s ILE 104 Ca 0.26 -0.04 -0.29 0.00 -2.23 0.00 0.00 60.65 58.35 3a29 s ILE 104 Cb -0.15 -3.63 -0.11 0.00 -1.58 0.00 0.00 42.46 37.00 3a29 s ILE 104 CO 0.10 0.11 1.40 -0.69 -1.23 0.00 0.00 174.94 174.64 3a29 s VAL 105 N 1.74 2.44 0.44 2.92 1.01 -0.32 -4.94 120.40 123.70 3a29 s VAL 105 Ca 0.07 0.43 -0.25 0.00 0.00 0.00 0.00 61.98 62.23 3a29 s VAL 105 Cb -0.17 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 3a29 s VAL 105 CO 0.11 0.10 1.19 -0.62 0.00 0.00 0.00 175.10 175.87 3a29 n GLU 106 N 1.00 1.70 -0.31 2.72 -0.58 -1.26 -4.75 120.64 119.16 3a29 n GLU 106 Ca 0.02 0.61 0.11 0.00 -0.42 0.00 0.00 57.16 57.47 3a29 n GLU 106 Cb 0.40 -2.29 0.23 0.00 -0.57 0.00 0.00 31.44 29.21 3a29 n GLU 106 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3a29 h PRO 107 N 1.81 0.05 0.00 3.49 0.11 -1.99 -0.97 132.00 134.50 3a29 h PRO 107 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3a29 h PRO 107 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3a29 h PRO 107 CO 0.58 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 3a29 n GLU 108 N -5.44 0.23 -0.01 1.05 1.02 -1.26 -2.69 120.64 113.54 3a29 n GLU 108 Ca 0.19 0.13 0.01 0.00 -0.02 0.00 0.00 57.16 57.47 3a29 n GLU 108 Cb 0.64 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.56 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 -1.28 2.30 -2.38 3.49 5.02 -0.38 -5.05 118.16 119.88 3a29 n LYS 109 Ca 0.08 -1.36 -0.41 0.00 -2.02 0.00 0.00 58.31 54.59 3a29 n LYS 109 Cb 0.12 -0.93 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.90 4.49 0.36 1.97 0.52 -1.10 -4.04 118.95 120.25 3a29 s ARG 110 Ca 0.02 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 57.10 3a29 s ARG 110 Cb 0.02 -3.25 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 3a29 s ARG 110 CO 0.00 -0.10 0.02 0.41 0.02 0.00 0.00 175.30 175.65 3a29 n GLY 111 N 2.25 3.70 0.65 -3.53 0.00 0.21 -4.73 105.19 103.73 3a29 n GLY 111 Ca 0.05 -2.29 0.12 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.88 1.87 -4.04 1.61 2.85 -1.14 -3.28 118.16 115.15 3a29 n LYS 112 Ca -0.14 -1.29 -0.29 0.00 -1.05 0.00 0.00 58.31 55.55 3a29 n LYS 112 Cb 0.46 -1.44 -0.06 0.00 -0.65 0.00 0.00 35.03 33.35 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 -1.84 3.23 -0.11 5.58 2.02 -0.40 -0.80 117.35 125.04 3a29 s TYR 113 Ca 0.34 0.07 0.01 0.00 -0.37 0.00 0.00 57.07 57.13 3a29 s TYR 113 Cb 0.19 -1.61 -0.01 0.00 -0.40 0.00 0.00 41.96 40.13 3a29 s TYR 113 CO 0.29 0.53 -0.15 0.08 -1.57 0.00 0.00 175.55 174.73 3a29 s VAL 114 N -1.53 2.87 -0.08 0.71 1.01 0.89 -1.15 120.40 123.12 3a29 s VAL 114 Ca 0.31 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3a29 s VAL 114 Cb -0.12 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.10 3a29 s VAL 114 CO 0.23 0.54 -0.17 -0.69 0.00 0.00 0.00 175.10 175.02 3a29 s VAL 115 N 0.14 1.52 -0.12 2.92 1.01 -0.73 -0.47 120.40 124.66 3a29 s VAL 115 Ca -0.08 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3a29 s VAL 115 Cb -0.15 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3a29 s VAL 115 CO 0.05 0.44 -0.15 0.00 0.00 0.00 0.00 175.10 175.44 3a29 s PHE 117 N 0.27 -0.33 -0.32 0.00 -0.71 -0.01 -0.22 117.98 116.66 3a29 s PHE 117 Ca -0.10 0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.84 3a29 s PHE 117 Cb -0.16 0.43 0.08 0.00 -1.21 0.00 0.00 43.02 42.15 3a29 s PHE 117 CO 0.06 -0.82 0.03 0.34 -1.34 0.00 0.00 175.22 173.49 3a29 s ASP 118 N -2.80 4.85 0.29 1.98 -1.08 0.51 -2.21 116.67 118.22 3a29 s ASP 118 Ca 0.03 -1.64 0.03 0.00 -0.52 0.00 0.00 52.55 50.45 3a29 s ASP 118 Cb -0.00 -1.69 0.63 0.00 -1.46 0.00 0.00 42.92 40.40 3a29 s ASP 118 CO -0.10 -0.33 1.81 1.55 0.52 0.00 0.00 175.17 178.61 3a29 h PRO 119 N 7.88 0.86 -1.91 4.34 0.13 -1.86 -1.66 132.00 139.79 3a29 h PRO 119 Ca -0.15 -0.05 -0.41 0.00 -0.87 0.00 0.00 66.00 64.52 3a29 h PRO 119 Cb 1.05 -0.19 -0.30 0.00 0.13 0.00 0.00 31.00 31.68 3a29 h PRO 119 CO 0.55 0.57 -0.76 -1.17 -0.23 0.00 0.00 178.00 176.96 3a29 s LEU 120 N -10.26 0.20 0.18 1.56 2.96 -1.23 -4.26 118.68 107.83 3a29 s LEU 120 Ca -0.12 -2.19 -0.30 0.00 -0.22 0.00 0.00 54.13 51.30 3a29 s LEU 120 Cb 0.23 0.47 -0.09 0.00 0.50 0.00 0.00 46.19 47.30 3a29 s LEU 120 CO 0.80 -0.18 1.32 -0.62 -1.32 0.00 0.00 176.35 176.36 3a29 s ASP 121 N 0.78 6.88 0.00 3.68 -1.08 0.62 -2.74 116.67 124.81 3a29 s ASP 121 Ca 0.26 2.39 0.00 0.00 -0.52 0.00 0.00 52.55 54.68 3a29 s ASP 121 Cb -0.05 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 3a29 s ASP 121 CO -0.09 -0.55 0.00 0.61 0.52 0.00 0.00 175.17 175.66 3a29 n GLY 122 N 2.54 0.61 0.12 2.66 0.00 -1.26 -1.59 105.19 108.28 3a29 n GLY 122 Ca 0.07 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3a29 n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a29 n SER 123 N 0.10 0.58 0.26 1.61 3.41 -1.11 -2.41 113.62 116.07 3a29 n SER 123 Ca 0.00 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.37 3a29 n SER 123 Cb 0.00 -0.78 0.70 0.00 -0.26 0.00 0.00 64.21 63.88 3a29 n SER 123 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3a29 h SER 124 N 0.00 0.00 -0.21 4.04 0.87 -1.91 -2.64 113.55 113.70 3a29 h SER 124 Ca 0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.40 3a29 h SER 124 Cb 0.31 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.11 3a29 h SER 124 CO 0.00 0.07 -0.66 0.59 -0.53 0.00 0.00 176.83 176.30 3a29 n ASN 125 N -4.11 2.44 0.00 6.23 3.02 -1.01 -4.76 115.26 117.07 3a29 n ASN 125 Ca -0.03 -3.61 0.09 0.00 -0.03 0.00 0.00 54.58 51.00 3a29 n ASN 125 Cb 0.15 -0.46 0.41 0.00 -0.61 0.00 0.00 39.78 39.27 3a29 n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a29 n ILE 126 N -0.84 0.68 0.18 2.41 0.00 -1.00 -3.12 119.36 117.67 3a29 n ILE 126 Ca 0.24 0.17 0.05 0.00 0.00 0.00 0.00 62.75 63.20 3a29 n ILE 126 Cb 0.81 -0.86 0.29 0.00 0.00 0.00 0.00 39.64 39.88 3a29 n ILE 126 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3a29 h ASP 127 N 0.00 0.00 -0.39 9.51 3.32 -1.85 -2.63 116.42 124.38 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 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3a29 h ASP 127 CO 0.00 0.41 0.00 0.00 -1.72 0.00 0.00 179.24 177.93 3a29 n LEU 129 N 0.61 -1.68 -4.77 0.00 4.77 -0.99 -4.98 117.00 109.95 3a29 n LEU 129 Ca 0.14 0.16 -0.33 0.00 -0.03 0.00 0.00 56.01 55.94 3a29 n LEU 129 Cb 0.43 -2.68 0.04 0.00 -2.33 0.00 0.00 43.42 38.88 3a29 n LEU 129 CO 0.11 -0.48 0.74 0.54 -1.33 0.00 0.00 177.39 176.97 3a29 s VAL 130 N -2.85 3.31 0.49 4.08 0.11 -1.26 -4.95 120.40 119.32 3a29 s VAL 130 Ca 0.00 0.61 -0.24 0.00 -2.93 0.00 0.00 61.98 59.42 3a29 s VAL 130 Cb 0.00 -3.13 -0.07 0.00 -1.53 0.00 0.00 36.38 31.64 3a29 s VAL 130 CO 0.00 -0.38 1.34 -1.20 -3.33 0.00 0.00 175.10 171.53 3a29 n SER 131 N -2.37 2.73 -4.30 3.54 7.64 -1.26 -4.81 113.62 114.78 3a29 n SER 131 Ca 0.10 1.04 -0.16 0.00 1.01 0.00 0.00 58.87 60.87 3a29 n SER 131 Cb 0.52 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.06 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 -1.25 0.64 0.36 0.44 -7.23 -1.20 -4.78 120.40 107.38 3a29 s VAL 132 Ca 0.66 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.71 3a29 s VAL 132 Cb -0.45 -2.49 0.05 0.00 0.56 0.00 0.00 36.38 34.05 3a29 s VAL 132 CO 0.54 -0.14 0.70 0.61 -0.31 0.00 0.00 175.10 176.50 3a29 n GLY 133 N -0.41 1.16 3.13 2.32 0.00 -0.62 0.03 105.19 110.80 3a29 n GLY 133 Ca -0.02 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.23 1.70 0.00 2.61 2.01 -0.19 0.23 115.64 119.77 3a29 s THR 134 Ca 0.16 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.42 3a29 s THR 134 Cb -0.04 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 3a29 s THR 134 CO 0.12 0.48 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.72 3a29 s ILE 135 N 0.58 2.81 -0.01 1.82 1.01 -0.62 -0.32 121.20 126.47 3a29 s ILE 135 Ca -0.15 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.31 3a29 s ILE 135 Cb -0.17 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.20 3a29 s ILE 135 CO 0.05 0.45 0.37 0.72 0.00 0.00 0.00 174.94 176.53 3a29 s PHE 136 N -0.83 -0.25 -0.02 3.97 -0.71 -0.61 -0.36 117.98 119.17 3a29 s PHE 136 Ca 0.13 0.38 0.00 0.00 -1.04 0.00 0.00 56.93 56.40 3a29 s PHE 136 Cb -0.10 0.15 0.02 0.00 -1.21 0.00 0.00 43.02 41.88 3a29 s PHE 136 CO 0.03 -0.44 0.01 0.20 -1.34 0.00 0.00 175.22 173.68 3a29 s GLY 137 N -1.39 0.15 -0.13 1.99 0.00 0.70 -1.44 107.32 107.20 3a29 s GLY 137 Ca -0.12 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.78 3a29 s GLY 137 CO 0.04 0.50 -0.17 -0.42 0.00 0.00 0.00 173.10 173.05 3a29 s ILE 138 N 0.82 2.64 0.27 0.90 1.01 0.85 -1.05 121.20 126.64 3a29 s ILE 138 Ca -0.08 -0.80 0.10 0.00 0.00 0.00 0.00 60.65 59.87 3a29 s ILE 138 Cb -0.11 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 3a29 s ILE 138 CO -0.02 0.53 -0.15 -0.31 0.00 0.00 0.00 174.94 174.99 3a29 s TYR 139 N 0.49 2.09 -0.17 3.97 2.02 0.38 -0.76 117.35 125.37 3a29 s TYR 139 Ca -0.11 -0.46 -0.10 0.00 -0.37 0.00 0.00 57.07 56.02 3a29 s TYR 139 Cb -0.16 -0.99 -0.05 0.00 -0.40 0.00 0.00 41.96 40.36 3a29 s TYR 139 CO 0.05 0.55 0.15 0.50 -1.57 0.00 0.00 175.55 175.23 3a29 s ARG 140 N -3.59 4.01 -0.03 -0.62 3.52 -1.26 -0.08 118.95 120.91 3a29 s ARG 140 Ca 0.28 -0.16 -0.31 0.00 -0.13 0.00 0.00 55.73 55.41 3a29 s ARG 140 Cb -0.02 -3.36 -0.09 0.00 -1.56 0.00 0.00 34.95 29.92 3a29 s ARG 140 CO 0.12 0.42 2.00 1.17 -0.81 0.00 0.00 175.30 178.20 3a29 n LYS 141 N 3.12 2.59 0.06 5.12 4.81 0.02 -4.84 118.16 129.05 3a29 n LYS 141 Ca -0.17 0.92 -0.13 0.00 -0.87 0.00 0.00 58.31 58.07 3a29 n LYS 141 Cb 0.53 -2.97 -0.14 0.00 0.02 0.00 0.00 35.03 32.47 3a29 n LYS 141 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3a29 h LYS 142 N 11.01 0.17 -6.87 1.64 1.79 -1.90 -3.47 116.57 118.94 3a29 h LYS 142 Ca -0.48 -0.28 -0.49 0.00 -2.18 0.00 0.00 60.65 57.22 3a29 h LYS 142 Cb 1.25 0.11 0.03 0.00 -1.58 0.00 0.00 32.23 32.03 3a29 h LYS 142 CO 0.95 1.04 0.06 0.45 -1.08 0.00 0.00 179.45 180.86 3a29 s SER 143 N -6.85 6.18 0.00 0.86 0.15 -1.26 -4.99 113.70 107.78 3a29 s SER 143 Ca -0.05 0.80 0.20 0.00 0.70 0.00 0.00 55.95 57.59 3a29 s SER 143 Cb 0.08 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 62.21 3a29 s SER 143 CO 0.85 -0.58 0.95 1.07 1.20 0.00 0.00 173.24 176.73 3a29 n THR 144 N -2.20 0.00 -0.58 6.45 5.66 -1.26 -4.99 114.28 117.35 3a29 n THR 144 Ca 0.00 -0.24 -0.30 0.00 -3.05 0.00 0.00 64.05 60.46 3a29 n THR 144 Cb 0.56 1.18 0.21 0.00 -1.55 0.00 0.00 70.33 70.73 3a29 n THR 144 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3a29 n ASP 145 N -0.35 -0.61 -4.65 1.09 8.00 -1.26 -4.85 116.55 113.91 3a29 n ASP 145 Ca 0.07 0.16 -0.46 0.00 0.71 0.00 0.00 54.79 55.26 3a29 n ASP 145 Cb 0.39 -1.38 -0.04 0.00 -0.02 0.00 0.00 41.12 40.07 3a29 n ASP 145 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a29 n GLU 146 N -4.57 1.88 -1.65 -1.24 -0.58 -1.26 -4.79 120.64 108.43 3a29 n GLU 146 Ca 0.08 0.67 -0.46 0.00 -0.42 0.00 0.00 57.16 57.03 3a29 n GLU 146 Cb 0.53 -2.35 -0.03 0.00 -0.57 0.00 0.00 31.44 29.02 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 2.50 1.83 -3.97 3.49 -0.04 -1.26 -4.97 135.00 132.59 3a29 n PRO 147 Ca 0.14 0.65 -0.12 0.00 -0.04 0.00 0.00 63.50 64.14 3a29 n PRO 147 Cb 0.28 -2.29 -0.01 0.00 -0.04 0.00 0.00 33.50 31.44 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 0.31 0.53 0.58 3.54 1.04 -1.26 -5.01 113.70 113.43 3a29 s SER 148 Ca 0.71 -1.34 0.28 0.00 0.48 0.00 0.00 55.95 56.08 3a29 s SER 148 Cb -0.71 0.75 1.67 0.00 0.10 0.00 0.00 66.02 67.83 3a29 s SER 148 CO 0.49 -1.47 2.15 1.05 0.98 0.00 0.00 173.24 176.44 3a29 h GLU 149 N 2.06 0.00 0.00 4.02 4.11 -1.93 -1.85 114.58 120.99 3a29 h GLU 149 Ca -0.30 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.13 3a29 h GLU 149 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3a29 h GLU 149 CO 0.39 0.00 -0.02 0.87 0.07 0.00 0.00 179.01 180.33 3a29 h LYS 150 N 0.00 0.00 0.00 1.06 1.57 -1.96 -1.78 116.57 115.46 3a29 h LYS 150 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3a29 h LYS 150 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3a29 h LYS 150 CO -0.00 0.02 0.00 -0.25 -0.57 0.00 0.00 179.45 178.65 3a29 n ASP 151 N -4.11 0.53 -0.29 0.86 8.00 -0.70 -1.99 116.55 118.86 3a29 n ASP 151 Ca -0.03 0.62 0.12 0.00 0.71 0.00 0.00 54.79 56.21 3a29 n ASP 151 Cb 0.10 -0.74 0.13 0.00 -0.02 0.00 0.00 41.12 40.59 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 -1.72 3.58 -1.87 2.24 0.00 -0.67 -4.53 120.51 117.54 3a29 n ALA 152 Ca 0.03 -0.53 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 3a29 n ALA 152 Cb 0.23 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.60 8.11 -4.47 0.00 4.77 -0.84 -4.92 117.00 119.05 3a29 n LEU 153 Ca 0.09 -4.77 -0.30 0.00 -0.03 0.00 0.00 56.01 51.00 3a29 n LEU 153 Cb 0.39 -1.41 -0.12 0.00 -2.33 0.00 0.00 43.42 39.95 3a29 n LEU 153 CO 0.30 2.02 -0.49 -1.10 -1.33 0.00 0.00 177.39 176.79 3a29 s GLN 154 N -0.38 1.97 0.40 3.23 -0.21 -1.26 -4.64 119.66 118.77 3a29 s GLN 154 Ca 0.56 -1.05 -0.26 0.00 0.02 0.00 0.00 55.36 54.63 3a29 s GLN 154 Cb 0.18 -2.16 -0.09 0.00 1.00 0.00 0.00 33.01 31.94 3a29 s GLN 154 CO -0.08 0.52 1.27 -1.25 -2.12 0.00 0.00 175.29 173.62 3a29 s PRO 155 N -1.71 3.98 0.65 2.91 0.04 -1.26 -4.67 135.00 134.94 3a29 s PRO 155 Ca 0.16 2.07 0.24 0.00 0.04 0.00 0.00 61.00 63.51 3a29 s PRO 155 Cb -0.11 -2.74 1.28 0.00 0.04 0.00 0.00 34.50 32.98 3a29 s PRO 155 CO 0.07 -0.45 1.72 0.78 0.04 0.00 0.00 177.00 179.16 3a29 h GLY 156 N 2.66 0.00 2.00 0.56 0.00 -1.67 0.98 103.07 107.60 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 -0.06 4.80 9.65 -1.08 -1.85 114.38 125.85 3a29 h ARG 157 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3a29 h ARG 157 Cb 1.07 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 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 -2.63 1.93 -4.73 -3.80 4.13 0.34 -4.98 115.26 105.53 3a29 n ASN 158 Ca -0.01 -1.66 -0.42 0.00 1.68 0.00 0.00 54.58 54.17 3a29 n ASN 158 Cb 0.11 -0.03 -0.01 0.00 -1.54 0.00 0.00 39.78 38.31 3a29 n ASN 158 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3a29 n LEU 159 N 0.51 4.02 -0.05 3.41 4.77 -0.70 -4.68 117.00 124.29 3a29 n LEU 159 Ca 0.18 1.19 -0.14 0.00 -0.03 0.00 0.00 56.01 57.21 3a29 n LEU 159 Cb 0.42 -1.54 -0.14 0.00 -2.33 0.00 0.00 43.42 39.82 3a29 n LEU 159 CO 0.16 -0.16 -0.87 0.52 -1.33 0.00 0.00 177.39 175.71 3a29 n VAL 160 N 0.95 1.59 -3.51 4.08 0.31 0.06 -4.95 118.33 116.86 3a29 n VAL 160 Ca 0.05 -0.74 -0.14 0.00 -0.01 0.00 0.00 64.34 63.51 3a29 n VAL 160 Cb 0.36 -1.17 -0.04 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 -2.55 -1.78 0.15 3.52 0.00 -1.17 -4.44 121.76 115.49 3a29 s ALA 161 Ca -0.16 1.18 -0.24 0.00 0.00 0.00 0.00 51.96 52.74 3a29 s ALA 161 Cb 0.07 0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.33 3a29 s ALA 161 CO 0.77 -0.48 0.75 0.00 0.00 0.00 0.00 175.76 176.80 3a29 s ALA 162 N -1.95 -1.56 0.00 0.00 0.00 -0.64 -0.10 121.76 117.51 3a29 s ALA 162 Ca -0.04 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3a29 s ALA 162 Cb -0.00 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.86 3a29 s ALA 162 CO 0.01 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.32 3a29 n GLY 163 N -0.39 -0.61 3.61 0.00 0.00 -0.52 0.01 105.19 107.30 3a29 n GLY 163 Ca -0.10 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.35 -0.12 1.61 1.13 -0.40 -1.57 117.35 114.66 3a29 s TYR 164 Ca 0.00 0.06 0.03 0.00 -1.41 0.00 0.00 57.07 55.75 3a29 s TYR 164 Cb 0.00 0.62 0.01 0.00 -1.10 0.00 0.00 41.96 41.48 3a29 s TYR 164 CO 0.00 -0.93 -0.22 0.00 -2.51 0.00 0.00 175.55 171.88 3a29 s ALA 165 N -3.67 2.14 -0.22 9.51 0.00 0.57 -0.09 121.76 130.00 3a29 s ALA 165 Ca 0.06 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 3a29 s ALA 165 Cb -0.03 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 3a29 s ALA 165 CO -0.04 0.13 0.05 -1.17 0.00 0.00 0.00 175.76 174.72 3a29 s LEU 166 N 0.59 3.46 -1.07 0.00 2.96 0.77 -1.03 118.68 124.36 3a29 s LEU 166 Ca -0.13 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.57 3a29 s LEU 166 Cb -0.17 -1.90 0.29 0.00 0.50 0.00 0.00 46.19 44.91 3a29 s LEU 166 CO 0.04 0.03 1.22 -1.22 -1.32 0.00 0.00 176.35 175.10 3a29 n TYR 167 N 4.48 4.03 0.00 5.38 4.01 0.11 -1.77 117.16 133.39 3a29 n TYR 167 Ca -0.16 -3.44 0.00 0.00 -0.16 0.00 0.00 57.90 54.14 3a29 n TYR 167 Cb 0.52 -1.46 0.00 0.00 -0.31 0.00 0.00 39.34 38.08 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 2.08 2.58 0.37 2.72 0.00 -1.26 -3.24 105.19 108.44 3a29 n GLY 168 Ca 0.25 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.38 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 0.44 -5.36 1.61 4.64 -1.99 -3.42 113.55 109.48 3a29 h SER 169 Ca 0.00 0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.14 3a29 h SER 169 Cb 0.00 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 61.87 3a29 h SER 169 CO 0.00 0.24 -0.64 0.00 -0.87 0.00 0.00 176.83 175.55 3a29 s ALA 170 N -5.46 0.97 -0.25 5.18 0.00 -1.26 -5.14 121.76 115.80 3a29 s ALA 170 Ca -0.08 -1.53 -0.10 0.00 0.00 0.00 0.00 51.96 50.25 3a29 s ALA 170 Cb 0.21 0.93 -0.05 0.00 0.00 0.00 0.00 23.12 24.21 3a29 s ALA 170 CO 0.77 -0.49 0.16 0.99 0.00 0.00 0.00 175.76 177.18 3a29 s THR 171 N -4.03 5.18 0.01 0.00 2.01 -1.26 -4.51 115.64 113.04 3a29 s THR 171 Ca 0.27 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.44 3a29 s THR 171 Cb 0.07 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 3a29 s THR 171 CO 0.04 0.31 -0.16 -0.32 -0.69 0.00 0.00 174.62 173.80 3a29 s MET 172 N 1.36 1.23 -0.24 4.92 -2.45 -0.73 -0.42 119.30 122.98 3a29 s MET 172 Ca 0.07 -0.66 -0.04 0.00 -1.25 0.00 0.00 55.69 53.81 3a29 s MET 172 Cb -0.15 -1.23 0.01 0.00 1.25 0.00 0.00 34.83 34.71 3a29 s MET 172 CO 0.07 0.33 -0.03 -1.17 1.05 0.00 0.00 175.02 175.26 3a29 s LEU 173 N -0.64 3.13 -0.27 4.11 1.98 0.20 -0.16 118.68 127.03 3a29 s LEU 173 Ca 0.05 -0.60 -0.10 0.00 -2.89 0.00 0.00 54.13 50.59 3a29 s LEU 173 Cb -0.07 -1.73 -0.05 0.00 0.66 0.00 0.00 46.19 45.00 3a29 s LEU 173 CO 0.00 -0.08 0.16 -0.69 -1.89 0.00 0.00 176.35 173.85 3a29 s VAL 174 N 1.43 5.10 -0.14 1.68 1.01 0.87 -1.12 120.40 129.23 3a29 s VAL 174 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3a29 s VAL 174 Cb -0.15 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 3a29 s VAL 174 CO -0.03 0.28 -0.15 -0.22 0.00 0.00 0.00 175.10 174.97 3a29 s LEU 175 N 1.68 2.53 -0.03 3.92 2.96 -0.36 -1.27 118.68 128.11 3a29 s LEU 175 Ca 0.07 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3a29 s LEU 175 Cb -0.16 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 3a29 s LEU 175 CO 0.09 0.12 -0.23 0.00 -1.32 0.00 0.00 176.35 175.02 3a29 s ALA 176 N 0.60 1.92 0.28 5.97 0.00 0.10 -1.21 121.76 129.43 3a29 s ALA 176 Ca -0.09 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3a29 s ALA 176 Cb -0.16 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 3a29 s ALA 176 CO 0.03 0.42 0.34 -1.33 0.00 0.00 0.00 175.76 175.23 3a29 n MET 177 N 2.73 0.50 -0.35 0.00 2.81 -0.65 -1.62 117.12 120.54 3a29 n MET 177 Ca -0.16 -2.45 0.15 0.00 -1.81 0.00 0.00 57.70 53.43 3a29 n MET 177 Cb 0.52 2.23 0.35 0.00 -0.71 0.00 0.00 33.22 35.61 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 1.64 0.72 0.00 7.83 3.58 -1.93 -0.27 116.42 127.99 3a29 h ASP 178 Ca -0.21 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.36 3a29 h ASP 178 Cb 0.98 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.03 3a29 h ASP 178 CO 0.30 0.18 0.00 0.00 -2.88 0.00 0.00 179.24 176.84 3a29 n GLY 180 N 0.61 0.27 3.55 0.00 0.00 -0.11 -4.95 105.19 104.56 3a29 n GLY 180 Ca 0.17 -2.29 -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 -0.13 3.77 -0.01 1.61 1.01 -1.26 -1.64 120.40 123.76 3a29 s VAL 181 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3a29 s VAL 181 Cb 0.00 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 3a29 s VAL 181 CO 0.00 0.56 -0.08 0.20 0.00 0.00 0.00 175.10 175.79 3a29 s ASN 182 N -0.40 0.93 -0.11 3.32 -0.87 -0.35 -0.59 114.94 116.86 3a29 s ASN 182 Ca 0.06 -0.14 -0.00 0.00 -1.57 0.00 0.00 52.86 51.20 3a29 s ASN 182 Cb -0.12 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.25 40.97 3a29 s ASN 182 CO 0.02 0.09 -0.09 0.00 -2.57 0.00 0.00 177.10 174.56 3a29 s PHE 184 N -0.03 2.28 -0.20 0.00 0.40 -0.28 -1.38 117.98 118.77 3a29 s PHE 184 Ca -0.01 -0.76 -0.10 0.00 -0.60 0.00 0.00 56.93 55.46 3a29 s PHE 184 Cb -0.14 -1.52 -0.05 0.00 0.51 0.00 0.00 43.02 41.83 3a29 s PHE 184 CO 0.03 -0.27 0.13 1.41 0.70 0.00 0.00 175.22 177.22 3a29 s MET 185 N 0.06 4.16 -0.27 0.44 1.75 0.15 -0.63 119.30 124.96 3a29 s MET 185 Ca -0.09 -0.22 -0.29 0.00 -1.25 0.00 0.00 55.69 53.85 3a29 s MET 185 Cb -0.15 -3.41 0.01 0.00 2.84 0.00 0.00 34.83 34.13 3a29 s MET 185 CO 0.05 0.32 1.06 -1.17 -0.65 0.00 0.00 175.02 174.62 3a29 s LEU 186 N 0.31 4.03 -0.55 4.11 2.96 0.44 0.40 118.68 130.38 3a29 s LEU 186 Ca 0.08 1.24 -0.20 0.00 -0.22 0.00 0.00 54.13 55.03 3a29 s LEU 186 Cb -0.11 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.11 3a29 s LEU 186 CO -0.02 -0.76 0.73 -0.62 -1.32 0.00 0.00 176.35 174.37 3a29 s ASP 187 N 1.39 6.22 0.62 3.68 -1.08 0.23 -4.64 116.67 123.08 3a29 s ASP 187 Ca 0.45 -0.97 0.33 0.00 -0.52 0.00 0.00 52.55 51.84 3a29 s ASP 187 Cb -0.14 -2.33 1.92 0.00 -1.46 0.00 0.00 42.92 40.91 3a29 s ASP 187 CO 0.10 -1.06 2.21 -0.65 0.52 0.00 0.00 175.17 176.29 3a29 h PRO 188 N 9.16 0.00 -0.33 4.34 0.11 -1.94 0.13 132.00 143.46 3a29 h PRO 188 Ca -0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 3a29 h PRO 188 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3a29 h PRO 188 CO 1.04 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 178.68 3a29 h ALA 189 N 1.87 1.10 0.00 -0.75 0.00 -1.96 -3.30 119.26 116.21 3a29 h ALA 189 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3a29 h ALA 189 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3a29 h ALA 189 CO -0.00 0.56 -0.01 0.44 0.00 0.00 0.00 179.25 180.24 3a29 n ILE 190 N -4.16 0.74 -3.83 0.00 -5.35 -0.91 -5.02 119.36 100.82 3a29 n ILE 190 Ca 0.01 -0.74 -0.24 0.00 -0.27 0.00 0.00 62.75 61.50 3a29 n ILE 190 Cb 0.36 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 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 -0.38 -0.30 2.98 3.28 0.00 0.39 -4.97 105.19 106.19 3a29 n GLY 191 Ca 0.00 0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 -6.28 0.78 -0.32 1.61 2.56 -1.15 -4.96 118.70 110.93 3a29 s GLU 192 Ca 0.03 -0.26 -0.23 0.00 0.00 0.00 0.00 54.97 54.52 3a29 s GLU 192 Cb -0.01 -0.74 0.00 0.00 2.00 0.00 0.00 34.13 35.38 3a29 s GLU 192 CO 0.86 0.11 0.75 -0.06 -0.56 0.00 0.00 175.26 176.36 3a29 s PHE 193 N 0.13 3.18 -0.20 5.30 0.08 -1.26 -0.60 117.98 124.60 3a29 s PHE 193 Ca -0.02 0.68 -0.09 0.00 0.12 0.00 0.00 56.93 57.62 3a29 s PHE 193 Cb -0.07 -3.23 -0.05 0.00 -0.57 0.00 0.00 43.02 39.10 3a29 s PHE 193 CO 0.00 -0.60 0.12 0.42 -0.10 0.00 0.00 175.22 175.06 3a29 s ILE 194 N 2.93 5.27 -0.07 0.64 -1.09 0.16 -0.80 121.20 128.25 3a29 s ILE 194 Ca 0.31 0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.57 3a29 s ILE 194 Cb -0.14 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.28 3a29 s ILE 194 CO 0.14 0.44 1.64 -0.22 -1.23 0.00 0.00 174.94 175.70 3a29 s LEU 195 N 0.42 4.29 0.00 2.97 2.96 -0.32 0.32 118.68 129.33 3a29 s LEU 195 Ca 0.07 2.18 0.00 0.00 -0.22 0.00 0.00 54.13 56.16 3a29 s LEU 195 Cb -0.11 -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 0.00 176.35 175.47 3a29 n VAL 196 N 5.52 0.00 -3.41 1.68 0.24 -0.48 -4.75 118.33 117.13 3a29 n VAL 196 Ca 0.17 -0.42 -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 0.89 0.05 -1.34 1.01 -1.14 -5.01 116.67 110.41 3a29 s ASP 197 Ca 0.00 -0.10 -0.12 0.00 0.71 0.00 0.00 52.55 53.03 3a29 s ASP 197 Cb 0.00 0.74 -0.06 0.00 1.01 0.00 0.00 42.92 44.61 3a29 s ASP 197 CO 0.00 -0.32 0.41 -0.54 0.21 0.00 0.00 175.17 174.93 3a29 s LYS 198 N 2.43 3.83 -1.16 8.23 1.02 -1.26 -1.18 119.74 131.65 3a29 s LYS 198 Ca 0.10 0.29 -0.30 0.00 0.02 0.00 0.00 55.97 56.08 3a29 s LYS 198 Cb -0.15 -3.08 0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3a29 s LYS 198 CO -0.17 0.61 0.67 -3.47 -0.92 0.00 0.00 175.35 172.07 3a29 n ASP 199 N 1.27 -4.23 -4.77 2.83 -0.08 -0.95 -4.85 116.55 105.76 3a29 n ASP 199 Ca -0.10 -1.26 -0.40 0.00 -1.51 0.00 0.00 54.79 51.51 3a29 n ASP 199 Cb 0.52 -1.63 -0.02 0.00 2.34 0.00 0.00 41.12 42.34 3a29 n ASP 199 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3a29 s VAL 200 N -3.45 2.65 -0.04 5.18 1.01 0.24 -4.87 120.40 121.12 3a29 s VAL 200 Ca 0.42 0.64 0.02 0.00 0.00 0.00 0.00 61.98 63.06 3a29 s VAL 200 Cb -0.23 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.76 3a29 s VAL 200 CO 0.96 0.14 -0.07 -0.54 0.00 0.00 0.00 175.10 175.60 3a29 s LYS 201 N -1.91 0.96 0.47 2.72 -0.14 -1.26 -4.46 119.74 116.12 3a29 s LYS 201 Ca 0.51 -0.20 -0.21 0.00 -1.36 0.00 0.00 55.97 54.71 3a29 s LYS 201 Cb -0.40 -0.90 -0.09 0.00 -1.68 0.00 0.00 37.83 34.76 3a29 s LYS 201 CO 0.53 -0.01 1.03 -1.50 -0.76 0.00 0.00 175.35 174.64 3a29 s ILE 202 N 0.64 3.86 0.53 2.17 2.07 -0.19 -5.00 121.20 125.29 3a29 s ILE 202 Ca -0.10 1.18 -0.22 0.00 -1.41 0.00 0.00 60.65 60.10 3a29 s ILE 202 Cb -0.13 -3.48 -0.06 0.00 0.13 0.00 0.00 42.46 38.92 3a29 s ILE 202 CO 0.01 -0.23 1.24 1.17 -1.91 0.00 0.00 174.94 175.21 3a29 n LYS 203 N -0.86 1.53 -0.06 3.50 4.81 -1.26 -4.88 118.16 120.93 3a29 n LYS 203 Ca 0.09 0.56 -0.00 0.00 -0.87 0.00 0.00 58.31 58.09 3a29 n LYS 203 Cb 0.53 -2.42 0.28 0.00 0.02 0.00 0.00 35.03 33.43 3a29 n LYS 203 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3a29 h LYS 204 N 1.34 0.67 -2.98 1.64 3.64 -1.94 -3.40 116.57 115.54 3a29 h LYS 204 Ca -0.49 -0.11 -0.15 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 0.56 0.59 -0.37 0.21 -2.27 0.00 0.00 179.45 178.17 3a29 s LYS 205 N -5.21 0.34 0.10 1.90 2.20 -1.26 -1.91 119.74 115.90 3a29 s LYS 205 Ca -0.09 0.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.00 3a29 s LYS 205 Cb 0.16 0.12 0.01 0.00 -1.51 0.00 0.00 37.83 36.61 3a29 s LYS 205 CO 0.77 -0.07 0.09 0.41 -0.36 0.00 0.00 175.35 176.19 3a29 n GLY 206 N 3.20 2.83 0.17 5.54 0.00 -1.26 -4.73 105.19 110.95 3a29 n GLY 206 Ca -0.15 -2.19 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 -0.82 0.92 -4.47 1.61 5.02 -1.26 -4.77 118.16 114.39 3a29 n LYS 207 Ca 0.00 -1.38 -0.21 0.00 -2.02 0.00 0.00 58.31 54.70 3a29 n LYS 207 Cb 0.12 -0.85 -0.15 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.93 0.90 0.06 -0.18 1.01 -1.26 0.14 121.20 120.93 3a29 s ILE 208 Ca 0.08 -0.43 0.09 0.00 0.00 0.00 0.00 60.65 60.40 3a29 s ILE 208 Cb 0.07 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 3a29 s ILE 208 CO 0.01 0.27 -0.26 -0.72 0.00 0.00 0.00 174.94 174.25 3a29 s TYR 209 N 0.13 2.35 -0.05 3.97 -0.85 -0.42 -1.36 117.35 121.11 3a29 s TYR 209 Ca -0.02 -0.39 -0.01 0.00 -0.52 0.00 0.00 57.07 56.12 3a29 s TYR 209 Cb -0.09 -1.38 0.03 0.00 0.38 0.00 0.00 41.96 40.90 3a29 s TYR 209 CO 0.01 0.17 0.02 0.45 -1.52 0.00 0.00 175.55 174.68 3a29 s SER 210 N -1.38 1.24 -0.20 -0.18 0.15 0.13 -2.26 113.70 111.20 3a29 s SER 210 Ca 0.12 -0.02 -0.34 0.00 0.70 0.00 0.00 55.95 56.41 3a29 s SER 210 Cb -0.10 -0.31 0.15 0.00 -1.71 0.00 0.00 66.02 64.05 3a29 s SER 210 CO 0.03 -0.20 1.21 -1.48 1.20 0.00 0.00 173.24 174.01 3a29 s LEU 211 N 1.87 -0.14 -0.65 3.45 2.34 -1.26 -0.66 118.68 123.64 3a29 s LEU 211 Ca 0.02 0.04 -0.27 0.00 0.06 0.00 0.00 54.13 53.98 3a29 s LEU 211 Cb -0.12 1.38 0.01 0.00 -0.56 0.00 0.00 46.19 46.90 3a29 s LEU 211 CO -0.04 -0.21 1.44 0.21 -1.06 0.00 0.00 176.35 176.69 3a29 s ASN 212 N -1.92 5.98 0.00 1.48 3.04 -1.26 -4.81 114.94 117.44 3a29 s ASN 212 Ca 0.08 -0.02 0.23 0.00 0.04 0.00 0.00 52.86 53.20 3a29 s ASN 212 Cb -0.01 -2.55 1.33 0.00 -1.54 0.00 0.00 41.25 38.48 3a29 s ASN 212 CO -0.05 -1.89 1.76 -0.62 -3.04 0.00 0.00 177.10 173.27 3a29 n GLU 213 N 9.06 0.61 0.14 0.43 1.02 -1.26 -2.73 120.64 127.91 3a29 n GLU 213 Ca 0.10 0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.38 3a29 n GLU 213 Cb 0.50 -1.50 0.51 0.00 -0.02 0.00 0.00 31.44 30.92 3a29 n GLU 213 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a29 n GLY 214 N 0.52 -1.27 0.64 0.62 0.00 -1.26 -1.56 105.19 102.89 3a29 n GLY 214 Ca 0.16 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.38 3a29 n GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a29 n TYR 215 N -2.27 0.24 -0.36 1.61 0.53 -1.10 -4.53 117.16 111.26 3a29 n TYR 215 Ca 0.02 -0.12 0.05 0.00 -1.02 0.00 0.00 57.90 56.83 3a29 n TYR 215 Cb 0.22 0.00 0.13 0.00 -1.03 0.00 0.00 39.34 38.66 3a29 n TYR 215 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3a29 n ALA 216 N 0.50 0.19 -0.08 -0.72 0.00 -0.60 0.11 120.51 119.91 3a29 n ALA 216 Ca 0.17 1.09 0.18 0.00 0.00 0.00 0.00 53.44 54.88 3a29 n ALA 216 Cb 0.38 -0.63 0.61 0.00 0.00 0.00 0.00 19.45 19.80 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 0.18 -0.47 0.00 3.64 -1.85 -1.16 116.57 116.91 3a29 h LYS 217 Ca 0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 3a29 h LYS 217 Cb 0.71 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3a29 h LYS 217 CO -1.02 0.12 0.00 -0.25 -2.27 0.00 0.00 179.45 176.03 3a29 n ASP 218 N -4.42 3.36 -4.70 4.20 8.00 0.12 -5.01 116.55 118.10 3a29 n ASP 218 Ca 0.12 -1.96 -0.39 0.00 0.71 0.00 0.00 54.79 53.28 3a29 n ASP 218 Cb 0.59 -0.31 0.04 0.00 -0.02 0.00 0.00 41.12 41.42 3a29 n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3a29 n PHE 219 N 1.17 1.88 -2.46 1.24 3.72 -0.44 -4.51 117.46 118.05 3a29 n PHE 219 Ca 0.18 0.44 -0.37 0.00 -0.05 0.00 0.00 57.45 57.65 3a29 n PHE 219 Cb 0.53 -2.30 -0.03 0.00 -0.94 0.00 0.00 39.48 36.74 3a29 n PHE 219 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3a29 s ASP 220 N -0.99 6.64 0.31 4.37 -1.08 -1.26 -4.82 116.67 119.83 3a29 s ASP 220 Ca 0.72 2.13 0.07 0.00 -0.52 0.00 0.00 52.55 54.96 3a29 s ASP 220 Cb -0.43 -2.59 0.82 0.00 -1.46 0.00 0.00 42.92 39.25 3a29 s ASP 220 CO 0.49 -0.58 1.73 -0.65 0.52 0.00 0.00 175.17 176.68 3a29 h PRO 221 N 2.48 0.55 -0.75 4.34 0.11 -1.96 -0.51 132.00 136.27 3a29 h PRO 221 Ca -0.48 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 3a29 h PRO 221 Cb 1.22 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3a29 h PRO 221 CO 0.62 0.37 0.28 0.00 -0.21 0.00 0.00 178.00 179.05 3a29 h ALA 222 N 1.71 0.97 -0.36 -0.75 0.00 -1.91 -0.90 119.26 118.01 3a29 h ALA 222 Ca 0.61 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 3a29 h ALA 222 Cb 1.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3a29 h ALA 222 CO -0.47 0.62 0.01 0.28 0.00 0.00 0.00 179.25 179.69 3a29 h VAL 223 N 1.09 1.26 -0.28 0.00 2.07 -1.51 -0.96 116.25 117.92 3a29 h VAL 223 Ca 0.25 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3a29 h VAL 223 Cb 0.25 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3a29 h VAL 223 CO -0.02 0.32 0.12 0.74 0.02 0.00 0.00 177.57 178.76 3a29 h THR 224 N 0.45 0.96 -0.57 2.57 2.02 -0.92 -1.27 112.91 116.16 3a29 h THR 224 Ca 0.10 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 3a29 h THR 224 Cb 0.45 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3a29 h THR 224 CO 0.02 0.05 0.15 -0.08 0.37 0.00 0.00 175.52 176.02 3a29 h GLU 225 N 0.26 0.91 -0.09 6.66 4.81 -1.08 -1.62 114.58 124.42 3a29 h GLU 225 Ca 0.12 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3a29 h GLU 225 Cb 0.06 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 3a29 h GLU 225 CO -0.10 0.84 0.05 -0.92 -0.73 0.00 0.00 179.01 178.15 3a29 h TYR 226 N 0.81 0.12 -0.36 0.92 3.20 -0.87 -0.67 116.97 120.12 3a29 h TYR 226 Ca 0.18 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 3a29 h TYR 226 Cb 0.33 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3a29 h TYR 226 CO 0.02 0.11 0.13 0.82 -1.64 0.00 0.00 178.16 177.60 3a29 h ILE 227 N 0.09 1.15 -0.29 1.81 1.08 -1.19 -1.14 117.51 119.01 3a29 h ILE 227 Ca 0.03 -0.47 -0.06 0.00 -0.39 0.00 0.00 64.86 63.97 3a29 h ILE 227 Cb 0.03 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 3a29 h ILE 227 CO -0.01 0.18 -0.08 -0.61 -0.69 0.00 0.00 178.15 176.94 3a29 h GLN 228 N 0.51 0.47 0.00 2.37 5.75 -0.55 -1.76 115.11 121.89 3a29 h GLN 228 Ca 0.12 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 3a29 h GLN 228 Cb 0.13 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 3a29 h GLN 228 CO -0.01 0.56 -0.13 0.00 -2.65 0.00 0.00 178.83 176.60 3a29 h ARG 229 N 0.44 0.00 0.03 1.69 3.08 0.09 0.97 114.38 120.69 3a29 h ARG 229 Ca 0.09 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.92 3a29 h ARG 229 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3a29 h ARG 229 CO 0.02 0.13 -0.99 0.87 -1.07 0.00 0.00 179.97 178.94 3a29 h LYS 230 N 0.00 0.15 0.07 0.04 1.79 -0.77 -2.54 116.57 115.32 3a29 h LYS 230 Ca -0.00 -0.21 -0.32 0.00 -2.18 0.00 0.00 60.65 57.94 3a29 h LYS 230 Cb 0.87 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.56 3a29 h LYS 230 CO 0.02 1.02 -1.74 0.87 -1.08 0.00 0.00 179.45 178.54 3a29 h LYS 231 N 0.07 0.16 -2.25 3.15 1.57 -1.24 -0.88 116.57 117.15 3a29 h LYS 231 Ca -0.05 -0.27 -0.59 0.00 -1.87 0.00 0.00 60.65 57.87 3a29 h LYS 231 Cb 1.68 0.10 -0.41 0.00 0.08 0.00 0.00 32.23 33.68 3a29 h LYS 231 CO 0.15 0.91 -0.76 1.19 -0.57 0.00 0.00 179.45 180.37 3a29 n PHE 232 N -3.31 2.15 -1.69 -1.35 3.01 0.32 -4.71 117.46 111.88 3a29 n PHE 232 Ca -0.21 -3.95 -0.53 0.00 1.01 0.00 0.00 57.45 53.77 3a29 n PHE 232 Cb 1.05 -0.45 -0.06 0.00 -0.01 0.00 0.00 39.48 40.00 3a29 n PHE 232 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3a29 n PRO 233 N 1.26 1.67 0.11 -1.08 -0.02 -0.96 -4.55 135.00 131.43 3a29 n PRO 233 Ca 0.26 0.61 0.08 0.00 -2.02 0.00 0.00 63.50 62.44 3a29 n PRO 233 Cb 0.44 -2.38 0.42 0.00 -0.02 0.00 0.00 33.50 31.96 3a29 n PRO 233 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3a29 n PRO 234 N 5.90 0.11 -0.56 0.52 -0.04 -1.26 -0.85 135.00 138.81 3a29 n PRO 234 Ca 0.24 0.54 0.09 0.00 -0.04 0.00 0.00 63.50 64.34 3a29 n PRO 234 Cb 0.21 -1.81 0.34 0.00 -0.04 0.00 0.00 33.50 32.21 3a29 n PRO 234 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3a29 n ASP 235 N -2.03 4.50 -1.89 3.54 5.68 -1.26 -4.93 116.55 120.15 3a29 n ASP 235 Ca -0.00 -2.36 -0.14 0.00 -0.50 0.00 0.00 54.79 51.78 3a29 n ASP 235 Cb 0.07 -0.56 -0.04 0.00 -1.14 0.00 0.00 41.12 39.46 3a29 n ASP 235 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3a29 n ASN 236 N 1.18 -4.09 -4.34 -1.12 5.03 -0.03 -4.97 115.26 106.93 3a29 n ASN 236 Ca 0.25 0.26 -0.30 0.00 0.87 0.00 0.00 54.58 55.66 3a29 n ASN 236 Cb 0.83 -3.61 0.17 0.00 -1.02 0.00 0.00 39.78 36.14 3a29 n ASN 236 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3a29 s SER 237 N -2.14 3.21 0.17 6.41 1.04 -1.26 -4.97 113.70 116.16 3a29 s SER 237 Ca 0.00 0.50 -0.30 0.00 0.48 0.00 0.00 55.95 56.63 3a29 s SER 237 Cb 0.00 -0.72 -0.08 0.00 0.10 0.00 0.00 66.02 65.31 3a29 s SER 237 CO 0.00 -2.70 1.33 0.00 0.98 0.00 0.00 173.24 172.85 3a29 s ALA 238 N -3.65 3.54 0.64 5.32 0.00 -1.26 -4.60 121.76 121.74 3a29 s ALA 238 Ca 0.70 1.10 -0.17 0.00 0.00 0.00 0.00 51.96 53.58 3a29 s ALA 238 Cb -0.07 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3a29 s ALA 238 CO 0.53 -0.55 1.20 -1.25 0.00 0.00 0.00 175.76 175.68 3a29 s PRO 239 N 0.26 2.74 0.53 0.00 0.04 -1.26 -4.93 135.00 132.37 3a29 s PRO 239 Ca 0.59 1.76 -0.19 0.00 0.04 0.00 0.00 61.00 63.20 3a29 s PRO 239 Cb -0.36 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 3a29 s PRO 239 CO 0.36 -1.37 1.10 0.71 0.04 0.00 0.00 177.00 177.84 3a29 s TYR 240 N -1.77 2.76 0.45 0.56 1.51 -0.34 -5.02 117.35 115.51 3a29 s TYR 240 Ca 0.76 1.55 -0.10 0.00 -1.01 0.00 0.00 57.07 58.27 3a29 s TYR 240 Cb -0.29 -3.22 -0.06 0.00 -0.11 0.00 0.00 41.96 38.29 3a29 s TYR 240 CO 0.37 -1.37 0.82 0.20 -1.11 0.00 0.00 175.55 174.46 3a29 s GLY 241 N -1.89 1.82 -0.04 0.71 0.00 0.12 -4.82 107.32 103.23 3a29 s GLY 241 Ca 0.71 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 45.22 3a29 s GLY 241 CO 0.26 -0.03 -0.05 0.00 0.00 0.00 0.00 173.10 173.28 3a29 s ALA 242 N -2.56 3.07 -0.15 3.20 0.00 -1.26 -1.30 121.76 122.75 3a29 s ALA 242 Ca 0.51 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 3a29 s ALA 242 Cb -0.10 -1.24 0.05 0.00 0.00 0.00 0.00 23.12 21.83 3a29 s ALA 242 CO 0.37 0.60 0.37 1.03 0.00 0.00 0.00 175.76 178.13 3a29 s ARG 243 N -1.12 0.35 -0.29 0.00 1.81 -0.96 -4.96 118.95 113.79 3a29 s ARG 243 Ca 0.15 0.71 0.02 0.00 -1.72 0.00 0.00 55.73 54.89 3a29 s ARG 243 Cb -0.11 -0.03 0.16 0.00 -0.45 0.00 0.00 34.95 34.52 3a29 s ARG 243 CO 0.05 -0.15 0.42 -0.47 -0.68 0.00 0.00 175.30 174.46 3a29 s TYR 244 N 1.28 -1.04 0.12 -0.53 5.04 -1.26 -4.03 117.35 116.93 3a29 s TYR 244 Ca -0.09 0.38 -0.05 0.00 -2.44 0.00 0.00 57.07 54.87 3a29 s TYR 244 Cb -0.08 -0.13 -0.13 0.00 0.35 0.00 0.00 41.96 41.97 3a29 s TYR 244 CO -0.11 -0.98 1.27 0.28 -1.34 0.00 0.00 175.55 174.68 3a29 h VAL 245 N 6.16 1.40 0.00 3.14 2.07 -1.97 -3.48 116.25 123.57 3a29 h VAL 245 Ca -0.09 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 64.92 3a29 h VAL 245 Cb 1.12 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 3a29 h VAL 245 CO 0.26 0.75 0.00 0.61 0.02 0.00 0.00 177.57 179.21 3a29 n GLY 246 N 1.03 0.25 3.21 2.17 0.00 -1.26 -5.02 105.19 105.57 3a29 n GLY 246 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.23 4.38 0.25 1.61 0.15 -1.26 -4.86 113.70 111.74 3a29 s SER 247 Ca 0.00 -0.85 -0.04 0.00 0.70 0.00 0.00 55.95 55.76 3a29 s SER 247 Cb 0.00 -1.68 0.48 0.00 -1.71 0.00 0.00 66.02 63.10 3a29 s SER 247 CO 0.00 -0.13 1.72 -0.03 1.20 0.00 0.00 173.24 175.99 3a29 h MET 248 N 8.03 0.38 -0.66 5.44 4.05 -1.94 -0.97 114.93 129.26 3a29 h MET 248 Ca -0.33 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.12 3a29 h MET 248 Cb 1.11 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.77 3a29 h MET 248 CO 0.58 0.25 0.38 0.28 0.23 0.00 0.00 176.91 178.63 3a29 h VAL 249 N 0.39 1.01 0.09 -5.77 2.07 -1.95 0.18 116.25 112.27 3a29 h VAL 249 Ca 0.42 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 3a29 h VAL 249 Cb 0.68 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3a29 h VAL 249 CO -0.44 0.13 -0.04 0.00 0.02 0.00 0.00 177.57 177.24 3a29 h ALA 250 N 1.32 -0.12 -0.80 1.67 0.00 -1.56 -0.90 119.26 118.87 3a29 h ALA 250 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a29 h ALA 250 Cb 0.13 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3a29 h ALA 250 CO -0.15 -0.39 0.50 -0.44 0.00 0.00 0.00 179.25 178.77 3a29 h ASP 251 N -0.48 0.95 -0.42 0.00 3.32 -1.07 -1.20 116.42 117.53 3a29 h ASP 251 Ca -0.01 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.84 3a29 h ASP 251 Cb 0.40 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3a29 h ASP 251 CO 0.02 0.71 -0.31 0.58 -1.72 0.00 0.00 179.24 178.52 3a29 h VAL 252 N 1.10 1.27 -0.56 -1.35 2.07 -0.64 -2.14 116.25 115.99 3a29 h VAL 252 Ca 0.29 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 3a29 h VAL 252 Cb -0.08 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3a29 h VAL 252 CO -0.06 0.50 0.19 -0.74 0.02 0.00 0.00 177.57 177.48 3a29 h HIS 253 N 0.80 0.89 -0.79 1.57 -0.00 -0.83 -0.78 115.15 116.02 3a29 h HIS 253 Ca 0.08 -0.08 0.03 0.00 -0.00 0.00 0.00 60.37 60.39 3a29 h HIS 253 Cb 0.90 -0.26 -0.05 0.00 -0.00 0.00 0.00 27.41 28.00 3a29 h HIS 253 CO 0.06 0.74 0.51 -0.09 -0.00 0.00 0.00 177.93 179.15 3a29 h ARG 254 N 0.78 0.98 -0.70 5.26 2.43 -1.13 -0.56 114.38 121.44 3a29 h ARG 254 Ca 0.18 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3a29 h ARG 254 Cb 0.26 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 3a29 h ARG 254 CO -0.01 0.65 0.42 1.15 -1.51 0.00 0.00 179.97 180.68 3a29 h THR 255 N 1.01 1.06 -0.14 0.20 2.02 -0.82 0.23 112.91 116.48 3a29 h THR 255 Ca 0.31 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3a29 h THR 255 Cb -0.03 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 3a29 h THR 255 CO -0.10 0.15 0.01 0.25 0.37 0.00 0.00 175.52 176.20 3a29 h LEU 256 N 0.81 0.23 -0.10 2.58 5.85 -0.37 0.45 115.31 124.77 3a29 h LEU 256 Ca 0.29 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3a29 h LEU 256 Cb 0.07 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3a29 h LEU 256 CO -0.13 0.47 -0.16 0.58 -0.34 0.00 0.00 178.44 178.86 3a29 h VAL 257 N -0.02 1.39 -0.01 1.05 2.07 -0.89 -3.34 116.25 116.51 3a29 h VAL 257 Ca 0.04 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.14 3a29 h VAL 257 Cb 0.35 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3a29 h VAL 257 CO 0.01 0.40 -0.72 -1.22 0.02 0.00 0.00 177.57 176.06 3a29 n TYR 258 N -4.57 0.00 -0.13 1.57 4.01 0.80 -4.88 117.16 113.96 3a29 n TYR 258 Ca -0.07 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.68 3a29 n TYR 258 Cb 0.38 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.37 3a29 n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a29 n GLY 259 N 1.46 -1.80 0.00 2.72 0.00 0.16 -4.67 105.19 103.06 3a29 n GLY 259 Ca 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.24 0.34 3.06 -0.02 0.00 -1.26 -4.55 105.19 100.52 3a29 n GLY 260 Ca -0.00 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.41 0.01 -0.07 -0.61 2.07 -0.46 -0.00 121.20 121.73 3a29 s ILE 261 Ca 0.00 -0.06 0.05 0.00 -1.41 0.00 0.00 60.65 59.23 3a29 s ILE 261 Cb 0.00 -0.27 -0.00 0.00 0.13 0.00 0.00 42.46 42.31 3a29 s ILE 261 CO 0.00 -0.03 -0.23 0.12 -1.91 0.00 0.00 174.94 172.89 3a29 s PHE 262 N -0.03 2.29 0.02 3.50 5.36 0.46 -0.69 117.98 128.88 3a29 s PHE 262 Ca -0.01 -0.77 0.03 0.00 -0.96 0.00 0.00 56.93 55.22 3a29 s PHE 262 Cb -0.02 -1.52 -0.01 0.00 -0.34 0.00 0.00 43.02 41.13 3a29 s PHE 262 CO 0.00 -0.27 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.89 3a29 s LEU 263 N 0.06 2.11 -0.46 6.12 1.02 0.17 -0.92 118.68 126.79 3a29 s LEU 263 Ca -0.09 -0.31 0.07 0.00 0.02 0.00 0.00 54.13 53.82 3a29 s LEU 263 Cb -0.15 -0.38 0.23 0.00 0.02 0.00 0.00 46.19 45.91 3a29 s LEU 263 CO 0.05 0.01 0.72 0.00 0.02 0.00 0.00 176.35 177.15 3a29 n TYR 264 N 2.31 -2.40 -1.76 0.29 4.19 -0.20 -4.41 117.16 115.18 3a29 n TYR 264 Ca -0.17 -2.32 -0.30 0.00 3.31 0.00 0.00 57.90 58.42 3a29 n TYR 264 Cb 0.56 0.92 0.17 0.00 0.49 0.00 0.00 39.34 41.48 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 0.15 0.64 0.42 2.98 0.04 -1.26 -1.50 135.00 136.46 3a29 s PRO 265 Ca 0.33 -0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.18 3a29 s PRO 265 Cb 0.17 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.87 3a29 s PRO 265 CO -0.18 -2.45 0.63 0.00 0.04 0.00 0.00 177.00 175.04 3a29 s ALA 266 N -3.64 3.76 0.28 8.56 0.00 -1.26 -4.56 121.76 124.90 3a29 s ALA 266 Ca 0.70 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 3a29 s ALA 266 Cb -0.07 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.94 3a29 s ALA 266 CO 0.53 -0.26 0.48 0.54 0.00 0.00 0.00 175.76 177.05 3a29 s ASN 267 N -4.16 0.17 0.36 0.00 2.20 -0.74 -4.36 114.94 108.40 3a29 s ASN 267 Ca 0.46 -1.10 0.14 0.00 -0.94 0.00 0.00 52.86 51.42 3a29 s ASN 267 Cb -0.10 0.62 1.00 0.00 -2.00 0.00 0.00 41.25 40.77 3a29 s ASN 267 CO 0.37 -1.21 1.75 0.07 -2.94 0.00 0.00 177.10 175.15 3a29 h LYS 268 N 2.22 0.47 0.00 3.55 -0.00 -1.93 0.40 116.57 121.27 3a29 h LYS 268 Ca -0.27 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.35 3a29 h LYS 268 Cb 1.25 -0.11 0.00 0.00 -0.00 0.00 0.00 32.23 33.37 3a29 h LYS 268 CO 0.37 0.31 -0.46 0.87 -0.00 0.00 0.00 179.45 180.54 3a29 h LYS 269 N 0.48 0.00 -2.04 0.07 1.57 -1.96 -3.38 116.57 111.30 3a29 h LYS 269 Ca 0.62 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.83 3a29 h LYS 269 Cb 1.38 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.30 3a29 h LYS 269 CO -0.37 0.00 -1.09 0.43 -0.57 0.00 0.00 179.45 177.85 3a29 n SER 270 N -2.24 0.14 -0.20 0.86 7.64 0.04 -4.99 113.62 114.86 3a29 n SER 270 Ca 0.04 -2.66 0.31 0.00 1.01 0.00 0.00 58.87 57.56 3a29 n SER 270 Cb 0.45 -0.63 0.71 0.00 -1.01 0.00 0.00 64.21 63.73 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 4.19 0.00 -0.14 1.43 0.11 -1.51 -0.41 132.00 135.67 3a29 h PRO 271 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3a29 h PRO 271 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3a29 h PRO 271 CO 0.45 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.33 3a29 n ASN 272 N -3.91 2.28 0.00 -2.05 5.03 -1.26 -4.71 115.26 110.64 3a29 n ASN 272 Ca 0.21 -1.87 0.00 0.00 0.87 0.00 0.00 54.58 53.79 3a29 n ASN 272 Cb 1.13 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.80 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 0.05 -1.86 0.00 7.41 0.00 -0.24 -0.77 105.19 109.78 3a29 n GLY 273 Ca 0.05 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3a29 n GLY 273 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a29 n LYS 274 N -0.00 3.60 -2.19 1.61 5.02 -1.26 -4.68 118.16 120.26 3a29 n LYS 274 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 3a29 n LYS 274 Cb 0.00 -0.98 -0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3a29 n LYS 274 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3a29 s LEU 275 N -3.80 3.61 0.04 -0.35 1.43 -1.26 -4.83 118.68 113.52 3a29 s LEU 275 Ca 0.00 1.88 -0.20 0.00 -1.03 0.00 0.00 54.13 54.78 3a29 s LEU 275 Cb 0.00 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 3a29 s LEU 275 CO 0.00 -1.08 0.60 -0.13 0.23 0.00 0.00 176.35 175.97 3a29 s ARG 276 N -3.79 4.28 0.04 1.70 3.00 -1.26 -0.94 118.95 121.98 3a29 s ARG 276 Ca 0.65 0.77 -0.26 0.00 0.00 0.00 0.00 55.73 56.89 3a29 s ARG 276 Cb -0.17 -3.29 -0.17 0.00 0.00 0.00 0.00 34.95 31.32 3a29 s ARG 276 CO 0.32 0.51 1.51 1.25 0.00 0.00 0.00 175.30 178.88 3a29 h LEU 277 N 5.03 -0.21 0.07 2.53 5.85 -1.52 0.01 115.31 127.08 3a29 h LEU 277 Ca -0.47 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.11 3a29 h LEU 277 Cb 1.21 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3a29 h LEU 277 CO 0.66 0.01 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.67 3a29 h LEU 278 N -0.43 -0.08 -2.38 2.25 3.38 -1.80 0.04 115.31 116.29 3a29 h LEU 278 Ca -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3a29 h LEU 278 Cb 0.33 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3a29 h LEU 278 CO 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3a29 n TYR 279 N -5.12 0.32 0.07 1.13 0.18 -1.26 -4.43 117.16 108.06 3a29 n TYR 279 Ca -0.08 -0.33 0.00 0.00 1.88 0.00 0.00 57.90 59.38 3a29 n TYR 279 Cb 0.08 -0.02 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 0.59 0.00 0.18 -3.48 1.02 -0.96 -4.23 120.64 113.77 3a29 n GLU 280 Ca 0.10 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.11 3a29 n GLU 280 Cb 0.38 -0.30 -0.08 0.00 -0.02 0.00 0.00 31.44 31.43 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 -0.84 -0.60 -0.65 0.00 -0.26 -1.22 0.95 115.58 112.96 3a29 h ASN 282 Ca -0.05 0.08 0.11 0.00 -0.56 0.00 0.00 56.30 55.88 3a29 h ASN 282 Cb 0.53 0.24 -0.08 0.00 -1.06 0.00 0.00 38.32 37.96 3a29 h ASN 282 CO 0.08 -0.27 0.25 -0.65 -1.06 0.00 0.00 177.43 175.78 3a29 h PRO 283 N -0.34 0.41 -0.24 0.81 0.11 -1.77 0.66 132.00 131.64 3a29 h PRO 283 Ca 0.05 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 3a29 h PRO 283 Cb 0.41 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3a29 h PRO 283 CO -0.18 0.27 -0.33 0.52 -0.21 0.00 0.00 178.00 178.08 3a29 h MET 284 N 0.42 0.51 -0.58 1.05 2.86 -1.36 -1.88 114.93 115.96 3a29 h MET 284 Ca 0.34 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 3a29 h MET 284 Cb 0.44 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3a29 h MET 284 CO -0.33 0.78 0.11 0.00 1.06 0.00 0.00 176.91 178.52 3a29 h ALA 285 N 1.21 0.77 -0.25 6.32 0.00 0.17 -1.10 119.26 126.38 3a29 h ALA 285 Ca 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3a29 h ALA 285 Cb 0.78 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3a29 h ALA 285 CO 0.06 0.50 0.13 -0.92 0.00 0.00 0.00 179.25 179.03 3a29 h TYR 286 N 0.85 0.35 -0.05 0.00 3.20 -0.66 -0.08 116.97 120.58 3a29 h TYR 286 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3a29 h TYR 286 Cb 0.39 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 3a29 h TYR 286 CO 0.03 0.31 0.03 0.28 -1.64 0.00 0.00 178.16 177.17 3a29 h VAL 287 N 0.29 1.00 -0.15 1.81 2.07 -1.21 -1.44 116.25 118.63 3a29 h VAL 287 Ca 0.09 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3a29 h VAL 287 Cb 0.08 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3a29 h VAL 287 CO -0.01 0.01 -0.09 0.24 0.02 0.00 0.00 177.57 177.74 3a29 h MET 288 N 0.06 -0.08 -0.82 1.57 2.86 -0.99 -1.73 114.93 115.80 3a29 h MET 288 Ca 0.02 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3a29 h MET 288 Cb -0.00 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 3a29 h MET 288 CO -0.01 -0.05 0.37 0.93 1.06 0.00 0.00 176.91 179.21 3a29 h GLU 289 N -0.08 1.20 0.00 1.72 5.08 -0.86 0.49 114.58 122.12 3a29 h GLU 289 Ca 0.09 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3a29 h GLU 289 Cb 0.22 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3a29 h GLU 289 CO -0.21 0.94 0.00 0.87 -1.00 0.00 0.00 179.01 179.61 3a29 h LYS 290 N 1.17 0.00 -0.35 2.33 6.56 -0.94 -1.54 116.57 123.81 3a29 h LYS 290 Ca 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.87 3a29 h LYS 290 Cb 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 3a29 h LYS 290 CO -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.36 3a29 n ALA 291 N -1.92 2.42 -0.49 3.86 0.00 -0.59 -4.40 120.51 119.39 3a29 n ALA 291 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.48 3a29 n ALA 291 Cb 0.22 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.50 0.74 0.01 0.00 0.00 -0.58 -1.02 105.19 105.84 3a29 n GLY 292 Ca 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.49 2.16 3.20 -0.02 0.00 0.16 -4.47 105.19 103.73 3a29 n GLY 293 Ca 0.00 -2.14 -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 -2.00 0.93 -0.20 1.61 1.00 -0.57 -3.82 119.30 116.24 3a29 s MET 294 Ca 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 55.69 54.29 3a29 s MET 294 Cb -0.00 -0.42 0.10 0.00 0.00 0.00 0.00 34.83 34.51 3a29 s MET 294 CO 0.00 0.03 0.28 0.00 0.00 0.00 0.00 175.02 175.34 3a29 s ALA 295 N -3.34 -0.60 0.15 3.03 0.00 -1.26 -1.50 121.76 118.24 3a29 s ALA 295 Ca 0.13 0.63 0.07 0.00 0.00 0.00 0.00 51.96 52.79 3a29 s ALA 295 Cb 0.03 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 3a29 s ALA 295 CO -0.02 -1.09 -0.15 -0.08 0.00 0.00 0.00 175.76 174.42 3a29 s THR 296 N 2.42 1.51 -1.46 0.00 -1.32 0.17 -1.59 115.64 115.37 3a29 s THR 296 Ca 0.07 -1.90 0.24 0.00 -1.21 0.00 0.00 61.69 58.89 3a29 s THR 296 Cb -0.15 -1.74 -0.00 0.00 -1.51 0.00 0.00 72.50 69.10 3a29 s THR 296 CO -0.12 -0.46 1.22 0.35 -2.21 0.00 0.00 174.62 173.39 3a29 n THR 297 N 0.22 0.00 0.00 5.08 -2.24 0.27 -0.27 114.28 117.34 3a29 n THR 297 Ca -0.13 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3a29 n THR 297 Cb 0.58 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 1.44 3.11 0.07 3.38 0.00 -1.26 -4.73 105.19 107.20 3a29 n GLY 298 Ca 0.08 -0.99 0.05 0.00 0.00 0.00 0.00 46.02 45.15 3a29 n GLY 298 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a29 n LYS 299 N 0.00 0.64 -3.72 1.61 5.02 -1.26 -4.97 118.16 115.48 3a29 n LYS 299 Ca 0.00 0.02 -0.03 0.00 -2.02 0.00 0.00 58.31 56.28 3a29 n LYS 299 Cb 0.00 -1.67 -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 -0.52 0.00 0.00 177.40 175.05 3a29 s GLU 300 N -3.15 1.09 0.19 1.97 -1.05 -1.26 -5.13 118.70 111.36 3a29 s GLU 300 Ca -0.05 -0.59 -0.31 0.00 -0.15 0.00 0.00 54.97 53.87 3a29 s GLU 300 Cb 0.10 0.38 -0.10 0.00 -0.44 0.00 0.00 34.13 34.07 3a29 s GLU 300 CO 0.84 -0.50 1.52 0.00 0.95 0.00 0.00 175.26 178.08 3a29 s ALA 301 N -3.20 3.72 0.25 -0.84 0.00 -1.26 -0.56 121.76 119.87 3a29 s ALA 301 Ca 0.12 1.35 -0.06 0.00 0.00 0.00 0.00 51.96 53.37 3a29 s ALA 301 Cb -0.01 -3.60 0.46 0.00 0.00 0.00 0.00 23.12 19.98 3a29 s ALA 301 CO 0.01 -0.77 1.65 0.28 0.00 0.00 0.00 175.76 176.93 3a29 h VAL 302 N 3.88 0.40 0.00 0.00 2.07 -1.59 0.41 116.25 121.42 3a29 h VAL 302 Ca -0.44 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3a29 h VAL 302 Cb 1.21 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3a29 h VAL 302 CO 0.87 0.03 0.00 -0.07 0.02 0.00 0.00 177.57 178.42 3a29 h LEU 303 N 0.16 0.00 0.00 2.57 3.38 -1.90 -2.47 115.31 117.05 3a29 h LEU 303 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3a29 h LEU 303 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3a29 h LEU 303 CO -0.60 0.00 -0.95 0.47 0.09 0.00 0.00 178.44 177.45 3a29 n ASP 304 N -2.30 0.63 -4.69 -0.43 8.00 0.13 -0.44 116.55 117.46 3a29 n ASP 304 Ca -0.00 -0.27 -0.42 0.00 0.71 0.00 0.00 54.79 54.80 3a29 n ASP 304 Cb 0.10 0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 41.90 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 -3.15 2.62 -0.33 2.53 1.01 -0.93 -4.94 120.40 117.20 3a29 s VAL 305 Ca 0.05 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 3a29 s VAL 305 Cb 0.15 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 3a29 s VAL 305 CO 0.79 0.00 0.47 -0.63 0.00 0.00 0.00 175.10 175.73 3a29 s ILE 306 N 2.60 5.07 0.51 2.22 1.01 -1.26 -4.35 121.20 127.00 3a29 s ILE 306 Ca 0.79 0.37 -0.20 0.00 0.00 0.00 0.00 60.65 61.62 3a29 s ILE 306 Cb -0.45 -3.89 -0.07 0.00 0.01 0.00 0.00 42.46 38.06 3a29 s ILE 306 CO 0.35 -0.11 1.07 -2.16 0.00 0.00 0.00 174.94 174.09 3a29 s PRO 307 N 2.27 3.62 0.00 2.79 0.04 -1.26 -4.96 135.00 137.50 3a29 s PRO 307 Ca 0.17 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3a29 s PRO 307 Cb -0.16 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3a29 s PRO 307 CO 0.12 -0.59 0.00 0.25 0.04 0.00 0.00 177.00 176.82 3a29 n THR 308 N -1.17 0.00 -3.88 1.26 -2.24 -1.26 -4.80 114.28 102.19 3a29 n THR 308 Ca 0.10 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.60 3a29 n THR 308 Cb 0.52 0.56 -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 -0.62 -0.57 0.00 0.00 175.07 173.88 3a29 s ASP 309 N -1.68 0.93 0.61 3.42 2.15 -1.26 -5.04 116.67 115.80 3a29 s ASP 309 Ca 0.00 -0.04 0.28 0.00 0.43 0.00 0.00 52.55 53.22 3a29 s ASP 309 Cb 0.00 -0.30 1.47 0.00 -0.30 0.00 0.00 42.92 43.79 3a29 s ASP 309 CO 0.00 -0.14 1.87 0.16 -0.17 0.00 0.00 175.17 176.89 3a29 h ILE 310 N 6.28 0.25 -0.27 4.11 3.07 -1.93 -0.04 117.51 128.98 3a29 h ILE 310 Ca -0.31 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.10 3a29 h ILE 310 Cb 1.13 0.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 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 -3.45 0.63 -1.92 0.16 8.25 -1.26 -4.49 115.22 113.15 3a29 n HIS 311 Ca 0.05 -0.69 -0.37 0.00 -0.26 0.00 0.00 57.72 56.45 3a29 n HIS 311 Cb 0.61 -0.16 0.03 0.00 1.12 0.00 0.00 29.99 31.59 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 -1.90 3.11 0.47 -0.41 -2.07 -0.03 -4.82 119.66 114.02 3a29 s GLN 312 Ca 0.31 2.02 -0.03 0.00 -1.82 0.00 0.00 55.36 55.84 3a29 s GLN 312 Cb 0.22 -2.13 -0.02 0.00 -1.09 0.00 0.00 33.01 29.99 3a29 s GLN 312 CO 0.11 -1.15 0.75 1.03 -1.32 0.00 0.00 175.29 174.71 3a29 s ARG 313 N -3.06 3.33 -0.19 9.60 0.52 -1.26 -1.44 118.95 126.46 3a29 s ARG 313 Ca 0.74 -0.05 -0.14 0.00 -0.52 0.00 0.00 55.73 55.75 3a29 s ARG 313 Cb -0.35 -2.44 0.06 0.00 0.52 0.00 0.00 34.95 32.73 3a29 s ARG 313 CO 0.40 -0.25 0.49 0.00 0.02 0.00 0.00 175.30 175.97 3a29 s ALA 314 N -2.68 -1.24 0.67 2.13 0.00 -0.12 -4.68 121.76 115.83 3a29 s ALA 314 Ca 0.47 1.56 -0.13 0.00 0.00 0.00 0.00 51.96 53.86 3a29 s ALA 314 Cb -0.10 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 3a29 s ALA 314 CO 0.42 -0.26 1.06 -1.25 0.00 0.00 0.00 175.76 175.73 3a29 s PRO 315 N 0.79 2.99 -0.20 0.00 0.04 0.05 -4.15 135.00 134.52 3a29 s PRO 315 Ca -0.04 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 3a29 s PRO 315 Cb -0.05 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.56 3a29 s PRO 315 CO -0.06 -1.06 0.49 0.54 0.04 0.00 0.00 177.00 176.95 3a29 s VAL 316 N -2.79 -0.02 -0.16 -0.36 0.11 -0.56 -4.31 120.40 112.32 3a29 s VAL 316 Ca 0.61 0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 59.72 3a29 s VAL 316 Cb -0.15 -0.72 0.04 0.00 -1.53 0.00 0.00 36.38 34.02 3a29 s VAL 316 CO 0.48 0.03 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.58 3a29 s ILE 317 N 1.43 1.17 0.20 7.04 1.09 0.62 -1.04 121.20 131.72 3a29 s ILE 317 Ca -0.09 -0.59 -0.01 0.00 -1.10 0.00 0.00 60.65 58.86 3a29 s ILE 317 Cb -0.07 -1.29 -0.04 0.00 -1.06 0.00 0.00 42.46 40.00 3a29 s ILE 317 CO -0.14 0.20 0.12 -1.48 -0.10 0.00 0.00 174.94 173.54 3a29 s LEU 318 N 1.62 1.30 0.00 2.97 0.05 -0.09 -0.65 118.68 123.87 3a29 s LEU 318 Ca 0.02 -1.37 0.00 0.00 0.05 0.00 0.00 54.13 52.82 3a29 s LEU 318 Cb -0.15 0.30 0.00 0.00 -2.05 0.00 0.00 46.19 44.30 3a29 s LEU 318 CO -0.08 -0.81 0.00 0.61 -0.55 0.00 0.00 176.35 175.52 3a29 n GLY 319 N -0.29 0.64 3.66 -3.48 0.00 -0.56 -0.40 105.19 104.76 3a29 n GLY 319 Ca 0.01 -1.85 -0.45 0.00 0.00 0.00 0.00 46.02 43.73 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 2.62 -0.08 1.61 7.64 1.00 -1.52 113.62 124.89 3a29 n SER 320 Ca 0.00 1.15 -0.07 0.00 1.01 0.00 0.00 58.87 60.96 3a29 n SER 320 Cb 0.00 -1.41 -0.00 0.00 -1.01 0.00 0.00 64.21 61.78 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 4.04 -0.04 -0.46 1.43 0.13 -1.76 -0.73 132.00 134.61 3a29 h PRO 321 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 3a29 h PRO 321 Cb 1.28 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 3a29 h PRO 321 CO 0.74 -0.03 0.30 -0.44 -0.23 0.00 0.00 178.00 178.35 3a29 h ASP 322 N -0.05 0.52 -0.22 1.44 3.45 -1.73 0.15 116.42 119.98 3a29 h ASP 322 Ca 0.15 -0.01 -0.15 0.00 0.43 0.00 0.00 57.03 57.45 3a29 h ASP 322 Cb 0.28 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 3a29 h ASP 322 CO -0.34 0.37 -0.44 0.44 -1.57 0.00 0.00 179.24 177.70 3a29 h ASP 323 N 0.61 0.76 -0.39 6.45 3.45 -1.56 -1.73 116.42 124.02 3a29 h ASP 323 Ca 0.17 -0.55 -0.11 0.00 0.43 0.00 0.00 57.03 56.97 3a29 h ASP 323 Cb -0.06 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.48 3a29 h ASP 323 CO -0.04 1.17 -0.20 0.58 -1.57 0.00 0.00 179.24 179.18 3a29 h VAL 324 N 0.39 1.28 -0.76 -1.35 2.07 -0.69 -1.80 116.25 115.39 3a29 h VAL 324 Ca 0.01 -1.34 0.03 0.00 0.82 0.00 0.00 66.70 66.22 3a29 h VAL 324 Cb 1.04 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 3a29 h VAL 324 CO 0.10 0.45 0.49 -0.07 0.02 0.00 0.00 177.57 178.55 3a29 h LEU 325 N 0.62 0.80 -0.72 2.57 4.07 -0.72 0.25 115.31 122.18 3a29 h LEU 325 Ca 0.08 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 3a29 h LEU 325 Cb 0.76 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.29 3a29 h LEU 325 CO 0.06 0.56 0.37 -0.08 -1.08 0.00 0.00 178.44 178.27 3a29 h GLU 326 N 0.95 1.02 -0.34 1.13 4.81 -1.10 -0.78 114.58 120.27 3a29 h GLU 326 Ca 0.30 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3a29 h GLU 326 Cb 0.00 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3a29 h GLU 326 CO -0.11 0.78 0.22 0.35 -0.73 0.00 0.00 179.01 179.52 3a29 h PHE 327 N 1.00 0.45 0.00 0.92 3.57 -0.39 -1.91 116.94 120.57 3a29 h PHE 327 Ca 0.25 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3a29 h PHE 327 Cb 0.08 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3a29 h PHE 327 CO 0.00 0.31 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.27 3a29 h LEU 328 N 0.45 0.00 -0.19 0.59 3.38 -0.36 0.19 115.31 119.37 3a29 h LEU 328 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3a29 h LEU 328 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3a29 h LEU 328 CO -0.02 0.05 0.03 0.50 0.09 0.00 0.00 178.44 179.09 3a29 h LYS 329 N 0.00 0.32 -0.41 1.13 3.64 -0.38 0.61 116.57 121.48 3a29 h LYS 329 Ca -0.00 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3a29 h LYS 329 Cb 0.10 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3a29 h LYS 329 CO 0.01 0.47 0.10 0.28 -2.27 0.00 0.00 179.45 178.04 3a29 h VAL 330 N 0.12 1.23 -0.31 2.00 2.07 -0.81 -1.76 116.25 118.78 3a29 h VAL 330 Ca 0.06 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.85 3a29 h VAL 330 Cb 0.31 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 3a29 h VAL 330 CO 0.00 0.28 -0.04 0.22 0.02 0.00 0.00 177.57 178.05 3a29 h TYR 331 N 0.52 -0.09 -0.73 1.57 3.20 -0.46 -1.84 116.97 119.14 3a29 h TYR 331 Ca 0.13 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.08 3a29 h TYR 331 Cb 0.31 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 3a29 h TYR 331 CO 0.02 -0.09 0.43 1.49 -1.64 0.00 0.00 178.16 178.36 3a29 h GLU 332 N 0.04 0.77 -0.21 1.82 4.57 -0.66 -1.31 114.58 119.60 3a29 h GLU 332 Ca 0.15 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 3a29 h GLU 332 Cb 0.22 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3a29 h GLU 332 CO -0.29 0.51 0.21 -0.22 -1.18 0.00 0.00 179.01 178.04 3a29 h LYS 333 N 0.79 0.00 -0.53 1.92 3.64 -0.48 0.52 116.57 122.43 3a29 h LYS 333 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3a29 h LYS 333 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3a29 h LYS 333 CO -0.17 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.73 3a29 n HIS 334 N -3.92 1.64 -0.09 1.91 8.25 -0.51 -5.11 115.22 117.39 3a29 n HIS 334 Ca 0.02 -0.71 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 3a29 n HIS 334 Cb 0.34 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.08 3a29 n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41