#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hve n PRO 10 N 0.00 0.06 -0.58 -0.24 -0.04 -1.26 -1.70 135.00 131.24 3hve n PRO 10 Ca 0.00 0.52 -0.06 0.00 -0.04 0.00 0.00 63.50 63.92 3hve n PRO 10 Cb 0.00 -2.13 0.02 0.00 -0.04 0.00 0.00 33.50 31.34 3hve n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hve n GLN 11 N -1.92 1.30 0.00 0.54 10.64 -1.26 -4.31 117.38 122.36 3hve n GLN 11 Ca -0.01 -0.59 0.00 0.00 -1.83 0.00 0.00 57.00 54.57 3hve n GLN 11 Cb 0.44 -1.23 0.00 0.00 -0.86 0.00 0.00 30.24 28.59 3hve n GLN 11 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 3hve n HIS 12 N 0.92 0.00 -0.39 2.61 -0.00 -0.69 -4.36 115.22 113.32 3hve n HIS 12 Ca 0.11 0.00 0.34 0.00 0.46 0.00 0.00 57.72 58.63 3hve n HIS 12 Cb 0.56 0.00 0.61 0.00 -0.12 0.00 0.00 29.99 31.03 3hve n HIS 12 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3hve h ALA 13 N -0.95 2.43 -0.25 1.57 0.00 -1.84 0.20 119.26 120.42 3hve h ALA 13 Ca 0.00 0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 3hve h ALA 13 Cb 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hve h ALA 13 CO 0.00 -1.12 -0.53 0.00 0.00 0.00 0.00 179.25 177.60 3hve h ALA 14 N 1.78 0.59 -0.13 0.00 0.00 -1.84 0.58 119.26 120.23 3hve h ALA 14 Ca 0.83 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3hve h ALA 14 Cb 2.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 20.06 3hve h ALA 14 CO -0.57 0.68 -0.16 0.00 0.00 0.00 0.00 179.25 179.20 3hve h ARG 15 N 0.57 0.34 -0.42 0.00 2.47 -0.88 -1.61 114.38 114.85 3hve h ARG 15 Ca 0.02 -0.19 0.03 0.00 -1.26 0.00 0.00 59.98 58.58 3hve h ARG 15 Cb 1.11 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.41 3hve h ARG 15 CO 0.11 0.75 0.21 1.25 0.56 0.00 0.00 179.97 182.85 3hve h LEU 16 N -0.06 0.31 -1.52 3.04 5.85 -1.07 -0.68 115.31 121.18 3hve h LEU 16 Ca 0.02 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3hve h LEU 16 Cb 0.71 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3hve h LEU 16 CO 0.04 0.22 -0.22 0.25 -0.34 0.00 0.00 178.44 178.39 3hve h LEU 17 N 0.42 0.00 0.43 2.25 5.85 0.20 -1.92 115.31 122.54 3hve h LEU 17 Ca 0.18 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3hve h LEU 17 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3hve h LEU 17 CO -0.12 0.22 -0.20 -0.09 -0.34 0.00 0.00 178.44 177.91 3hve h ARG 18 N 0.00 -0.55 -0.68 1.25 2.43 -0.15 -2.08 114.38 114.60 3hve h ARG 18 Ca -0.00 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 3hve h ARG 18 Cb 0.54 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 3hve h ARG 18 CO 0.03 -0.25 0.34 0.00 -1.51 0.00 0.00 179.97 178.58 3hve h ALA 19 N -0.47 0.92 0.00 2.80 0.00 -1.08 0.67 119.26 122.10 3hve h ALA 19 Ca -0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hve h ALA 19 Cb 0.56 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hve h ALA 19 CO 0.10 -0.04 -0.07 -0.07 0.00 0.00 0.00 179.25 179.17 3hve h LEU 20 N 0.60 0.00 -0.88 0.00 3.38 -1.29 -0.35 115.31 116.76 3hve h LEU 20 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3hve h LEU 20 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hve h LEU 20 CO -0.24 0.07 -0.06 -1.28 0.09 0.00 0.00 178.44 177.02 3hve h SER 21 N 0.00 0.00 -0.09 -0.43 0.87 -0.14 -2.70 113.55 111.06 3hve h SER 21 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hve h SER 21 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3hve h SER 21 CO 0.01 0.06 0.00 -1.54 -0.53 0.00 0.00 176.83 174.83 3hve n SER 22 N -3.14 0.85 -0.00 6.23 3.41 -0.14 -2.99 113.62 117.82 3hve n SER 22 Ca 0.02 -1.61 0.08 0.00 -0.26 0.00 0.00 58.87 57.09 3hve n SER 22 Cb 0.42 -0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 3hve n SER 22 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hve n PHE 23 N -0.20 0.00 0.31 7.33 3.72 -1.02 -4.52 117.46 123.08 3hve n PHE 23 Ca 0.14 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.64 3hve n PHE 23 Cb 0.19 -0.01 0.51 0.00 -0.94 0.00 0.00 39.48 39.23 3hve n PHE 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hve h ARG 24 N 0.00 0.00 0.00 -1.08 2.47 -1.64 -3.44 114.38 110.69 3hve h ARG 24 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3hve h ARG 24 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 3hve h ARG 24 CO 0.00 0.00 0.00 0.39 0.56 0.00 0.00 179.97 180.92 3hve n GLU 25 N -2.78 0.00 0.00 0.04 1.02 -1.26 -4.97 120.64 112.69 3hve n GLU 25 Ca -0.00 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3hve n GLU 25 Cb 0.64 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 3hve n GLU 25 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3hve n ARG 28 N -1.71 0.00 -0.04 3.49 3.00 -1.26 -4.95 116.66 115.18 3hve n ARG 28 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 3hve n ARG 28 Cb 0.00 -1.01 0.20 0.00 0.00 0.00 0.00 32.46 31.65 3hve n ARG 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3hve n PHE 29 N 0.00 0.11 -2.78 -0.14 3.01 -1.26 -4.87 117.46 111.53 3hve n PHE 29 Ca 0.00 -0.05 -0.43 0.00 1.01 0.00 0.00 57.45 57.98 3hve n PHE 29 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 3hve n PHE 29 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hve n ASP 31 N 7.69 1.05 -3.72 0.00 5.68 -1.13 -4.90 116.55 121.22 3hve n ASP 31 Ca 0.03 -1.25 -0.10 0.00 -0.50 0.00 0.00 54.79 52.97 3hve n ASP 31 Cb 0.48 0.01 -0.06 0.00 -1.14 0.00 0.00 41.12 40.40 3hve n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hve s ALA 32 N -2.10 -0.68 -0.09 2.12 0.00 -1.21 -4.05 121.76 115.75 3hve s ALA 32 Ca 0.38 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3hve s ALA 32 Cb 0.21 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 3hve s ALA 32 CO 0.37 -0.54 -0.17 -1.01 0.00 0.00 0.00 175.76 174.41 3hve s HIS 33 N -3.47 2.68 -0.16 0.00 3.76 -0.03 -1.14 115.29 116.92 3hve s HIS 33 Ca 0.01 -0.59 -0.06 0.00 -0.15 0.00 0.00 55.06 54.27 3hve s HIS 33 Cb 0.02 -1.73 -0.04 0.00 1.11 0.00 0.00 32.58 31.94 3hve s HIS 33 CO -0.09 -0.14 0.04 -1.17 -0.85 0.00 0.00 174.74 172.52 3hve s LEU 34 N -0.01 3.71 -0.20 0.89 2.96 -1.26 -1.81 118.68 122.96 3hve s LEU 34 Ca -0.05 0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.87 3hve s LEU 34 Cb -0.14 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 3hve s LEU 34 CO 0.04 0.21 0.01 0.54 -1.32 0.00 0.00 176.35 175.83 3hve s VAL 35 N 0.15 4.00 0.46 1.68 0.11 -1.05 -3.96 120.40 121.79 3hve s VAL 35 Ca 0.03 -0.29 0.07 0.00 -2.93 0.00 0.00 61.98 58.86 3hve s VAL 35 Cb -0.13 -2.81 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 3hve s VAL 35 CO 0.01 0.42 0.42 -1.61 -3.33 0.00 0.00 175.10 171.01 3hve s GLU 40 N 1.01 2.44 0.00 1.54 2.02 -1.26 -4.60 118.70 119.85 3hve s GLU 40 Ca 0.02 -1.66 0.00 0.00 0.02 0.00 0.00 54.97 53.34 3hve s GLU 40 Cb -0.14 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.76 3hve s GLU 40 CO 0.02 -0.35 0.00 -0.35 0.02 0.00 0.00 175.26 174.60 3hve n PRO 42 N -1.66 0.00 -3.30 0.39 -0.04 -1.25 -5.21 135.00 123.93 3hve n PRO 42 Ca 0.03 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 3hve n PRO 42 Cb 0.62 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.04 3hve n PRO 42 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3hve n VAL 43 N 0.00 0.00 -3.74 0.52 0.24 -0.30 -4.87 118.33 110.18 3hve n VAL 43 Ca 0.00 -1.42 -0.37 0.00 -2.04 0.00 0.00 64.34 60.51 3hve n VAL 43 Cb 0.00 0.72 -0.11 0.00 -1.47 0.00 0.00 33.84 32.98 3hve n VAL 43 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3hve s GLN 44 N -2.78 2.07 0.21 7.34 -0.21 -1.26 -2.85 119.66 122.18 3hve s GLN 44 Ca 0.23 -1.81 -0.17 0.00 0.02 0.00 0.00 55.36 53.63 3hve s GLN 44 Cb 0.01 -3.64 0.21 0.00 1.00 0.00 0.00 33.01 30.59 3hve s GLN 44 CO 0.16 -1.09 1.43 1.17 -2.12 0.00 0.00 175.29 174.84 3hve n LYS 45 N 4.64 -0.23 0.01 2.91 4.81 -1.26 -2.30 118.16 126.74 3hve n LYS 45 Ca -0.03 1.42 -0.12 0.00 -0.87 0.00 0.00 58.31 58.71 3hve n LYS 45 Cb 0.41 -2.11 -0.07 0.00 0.02 0.00 0.00 35.03 33.29 3hve n LYS 45 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 3hve h ASN 46 N 0.00 0.05 -0.11 3.14 -1.07 -1.96 -1.66 115.58 113.98 3hve h ASN 46 Ca 0.31 -0.13 0.02 0.00 0.07 0.00 0.00 56.30 56.57 3hve h ASN 46 Cb 0.54 -0.01 -0.05 0.00 -2.07 0.00 0.00 38.32 36.73 3hve h ASN 46 CO -0.91 0.17 -0.41 0.40 0.07 0.00 0.00 177.43 176.74 3hve h ILE 47 N -0.07 0.00 -0.50 6.14 1.08 -1.90 -0.20 117.51 122.06 3hve h ILE 47 Ca 0.01 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.57 3hve h ILE 47 Cb 0.13 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.85 3hve h ILE 47 CO -0.00 0.00 0.34 0.25 -0.69 0.00 0.00 178.15 178.05 3hve h LEU 48 N -0.44 0.30 -0.40 1.44 5.85 -1.50 0.41 115.31 120.97 3hve h LEU 48 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3hve h LEU 48 Cb 0.51 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3hve h LEU 48 CO -0.34 0.19 0.00 0.00 -0.34 0.00 0.00 178.44 177.95 3hve h ALA 49 N 1.74 1.00 0.00 1.25 0.00 -0.49 0.22 119.26 122.98 3hve h ALA 49 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hve h ALA 49 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hve h ALA 49 CO -0.05 0.00 -0.90 0.00 0.00 0.00 0.00 179.25 178.30 3hve h ALA 50 N 2.05 0.65 0.00 0.00 0.00 0.84 -3.35 119.26 119.45 3hve h ALA 50 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 54.91 54.27 3hve h ALA 50 Cb 0.84 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 3hve h ALA 50 CO 0.00 0.39 -2.03 0.00 0.00 0.00 0.00 179.25 177.61 3hve n ALA 51 N -2.24 1.64 -3.88 0.00 0.00 -0.74 -4.84 120.51 110.44 3hve n ALA 51 Ca -0.02 -1.01 -0.30 0.00 0.00 0.00 0.00 53.44 52.11 3hve n ALA 51 Cb 0.67 -0.52 -0.15 0.00 0.00 0.00 0.00 19.45 19.44 3hve n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hve s SER 52 N -5.65 4.34 0.42 0.00 0.15 0.77 -4.59 113.70 109.13 3hve s SER 52 Ca -0.07 -1.81 0.15 0.00 0.70 0.00 0.00 55.95 54.92 3hve s SER 52 Cb 0.07 -1.24 1.03 0.00 -1.71 0.00 0.00 66.02 64.18 3hve s SER 52 CO 0.83 -0.38 1.91 -0.65 1.20 0.00 0.00 173.24 176.15 3hve h PRO 53 N 7.86 0.43 0.33 5.44 0.11 -1.77 0.38 132.00 144.77 3hve h PRO 53 Ca -0.10 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 3hve h PRO 53 Cb 1.02 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3hve h PRO 53 CO 0.49 0.28 -0.16 -0.92 -0.21 0.00 0.00 178.00 177.48 3hve h TYR 54 N 0.44 -0.42 0.00 0.65 3.20 -1.87 -1.80 116.97 117.17 3hve h TYR 54 Ca 0.39 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 3hve h TYR 54 Cb 0.87 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 3hve h TYR 54 CO -0.00 -0.26 -0.20 0.82 -1.64 0.00 0.00 178.16 176.89 3hve h ILE 55 N -0.45 0.65 -0.75 1.81 2.04 -1.32 -2.66 117.51 116.81 3hve h ILE 55 Ca -0.05 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 3hve h ILE 55 Cb 0.35 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3hve h ILE 55 CO 0.08 0.19 0.34 -0.09 0.00 0.00 0.00 178.15 178.66 3hve h ARG 56 N 0.00 1.09 0.00 2.37 1.12 0.47 -2.81 114.38 116.63 3hve h ARG 56 Ca -0.00 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.70 3hve h ARG 56 Cb 0.53 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.30 3hve h ARG 56 CO 0.03 0.86 0.00 1.15 -3.11 0.00 0.00 179.97 178.89 3hve h THR 57 N 1.08 0.00 -0.09 0.20 2.02 -1.02 -3.03 112.91 112.07 3hve h THR 57 Ca 0.26 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3hve h THR 57 Cb 0.15 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3hve h THR 57 CO -0.03 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.15 3hve n LYS 58 N -2.52 1.48 0.00 6.66 5.02 -1.06 -5.14 118.16 122.59 3hve n LYS 58 Ca 0.05 -0.71 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 3hve n LYS 58 Cb 0.45 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3hve n LYS 58 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hve n LEU 59 N -0.08 0.00 0.00 -0.35 7.94 -1.15 -5.00 117.00 118.36 3hve n LEU 59 Ca 0.17 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.07 3hve n LEU 59 Cb 0.25 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.20 3hve n LEU 59 CO 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.41 3hve n TYR 71 N 0.70 0.00 -3.61 1.96 9.36 -1.26 -4.71 117.16 119.60 3hve n TYR 71 Ca 0.00 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.93 3hve n TYR 71 Cb 0.00 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 38.56 3hve n TYR 71 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 3hve s LYS 72 N -3.39 0.32 -0.47 2.98 -2.85 -1.25 -0.85 119.74 114.23 3hve s LYS 72 Ca 0.00 -0.59 -0.19 0.00 -1.00 0.00 0.00 55.97 54.19 3hve s LYS 72 Cb 0.00 -1.49 0.04 0.00 -2.06 0.00 0.00 37.83 34.32 3hve s LYS 72 CO 0.00 -0.94 0.59 0.42 0.10 0.00 0.00 175.35 175.52 3hve s ILE 73 N 1.98 4.91 -0.19 3.79 -1.09 -0.75 -4.95 121.20 124.89 3hve s ILE 73 Ca 0.08 -0.32 -0.22 0.00 -2.23 0.00 0.00 60.65 57.96 3hve s ILE 73 Cb -0.16 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.47 3hve s ILE 73 CO -0.29 -0.68 0.70 -1.61 -1.23 0.00 0.00 174.94 171.83 3hve s GLU 74 N 2.58 4.23 0.06 2.79 2.02 -1.26 -2.54 118.70 126.58 3hve s GLU 74 Ca 0.16 0.75 -0.10 0.00 0.02 0.00 0.00 54.97 55.80 3hve s GLU 74 Cb -0.17 -3.58 -0.06 0.00 0.10 0.00 0.00 34.13 30.41 3hve s GLU 74 CO 0.14 -0.29 0.38 -0.51 0.02 0.00 0.00 175.26 175.00 3hve s LEU 75 N 2.06 4.36 -0.51 1.80 1.43 -1.26 -4.99 118.68 121.58 3hve s LEU 75 Ca 0.32 0.78 -0.15 0.00 -1.03 0.00 0.00 54.13 54.04 3hve s LEU 75 Cb -0.16 -2.91 0.11 0.00 0.03 0.00 0.00 46.19 43.26 3hve s LEU 75 CO 0.11 0.20 0.45 -1.61 0.23 0.00 0.00 176.35 175.72 3hve s GLU 76 N -1.82 2.94 0.00 1.70 2.02 -1.26 -4.74 118.70 117.55 3hve s GLU 76 Ca 0.31 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.72 3hve s GLU 76 Cb -0.14 -4.21 0.00 0.00 0.10 0.00 0.00 34.13 29.88 3hve s GLU 76 CO 0.17 -1.21 0.00 0.41 0.02 0.00 0.00 175.26 174.65 3hve n GLY 77 N 5.20 0.43 3.12 -1.39 0.00 -1.26 -5.07 105.19 106.22 3hve n GLY 77 Ca -0.13 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 3hve n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hve s ILE 78 N -2.05 0.82 0.72 -0.61 1.01 -1.26 -5.02 121.20 114.80 3hve s ILE 78 Ca 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 60.65 59.35 3hve s ILE 78 Cb 0.00 -0.90 0.15 0.00 0.01 0.00 0.00 42.46 41.72 3hve s ILE 78 CO 0.00 -0.35 0.98 -1.54 0.00 0.00 0.00 174.94 174.03 3hve n SER 79 N 1.25 0.88 -1.07 3.58 3.41 -1.26 -5.00 113.62 115.40 3hve n SER 79 Ca -0.21 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 3hve n SER 79 Cb 0.55 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3hve n SER 79 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hve n VAL 80 N -2.98 0.71 -0.22 -3.33 0.24 -1.26 -4.63 118.33 106.85 3hve n VAL 80 Ca 0.15 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 3hve n VAL 80 Cb 0.52 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 3hve n VAL 80 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3hve n VAL 82 N 0.78 0.00 0.00 3.34 0.31 -1.26 -4.50 118.33 117.00 3hve n VAL 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hve n VAL 82 Cb 0.32 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 3hve n VAL 82 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3hve n ARG 84 N -0.13 0.00 -0.06 5.55 1.74 -1.26 -2.15 116.66 120.34 3hve n ARG 84 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 3hve n ARG 84 Cb 0.01 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.32 3hve n ARG 84 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3hve h GLU 85 N 0.00 0.07 -0.48 5.56 4.39 -1.96 -3.18 114.58 118.97 3hve h GLU 85 Ca 0.00 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 3hve h GLU 85 Cb 0.00 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3hve h GLU 85 CO 0.00 1.05 -0.22 0.82 -1.16 0.00 0.00 179.01 179.51 3hve h ILE 86 N -0.82 1.27 -0.24 3.13 5.03 -1.84 -2.04 117.51 122.01 3hve h ILE 86 Ca -0.22 -1.38 0.06 0.00 -0.12 0.00 0.00 64.86 63.19 3hve h ILE 86 Cb 1.32 1.13 -0.01 0.00 -3.03 0.00 0.00 36.82 36.23 3hve h ILE 86 CO -0.07 0.48 0.17 0.25 -0.68 0.00 0.00 178.15 178.30 3hve h LEU 87 N 0.86 0.06 0.02 1.44 6.46 -1.83 -0.54 115.31 121.77 3hve h LEU 87 Ca 0.11 -0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.60 3hve h LEU 87 Cb 0.80 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.68 3hve h LEU 87 CO 0.07 0.04 -1.49 -0.78 -0.62 0.00 0.00 178.44 175.65 3hve h ASP 88 N 0.06 0.06 -0.80 1.25 1.82 -1.46 -3.26 116.42 114.10 3hve h ASP 88 Ca 0.11 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 3hve h ASP 88 Cb 0.36 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.31 3hve h ASP 88 CO -0.01 1.09 0.44 0.22 -1.61 0.00 0.00 179.24 179.37 3hve h TYR 89 N 0.01 1.09 -0.94 0.28 3.20 -0.56 -1.42 116.97 118.63 3hve h TYR 89 Ca -0.20 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.75 3hve h TYR 89 Cb 1.94 -0.35 -0.08 0.00 1.54 0.00 0.00 36.73 39.78 3hve h TYR 89 CO 0.01 0.75 0.57 0.82 -1.64 0.00 0.00 178.16 178.67 3hve h ILE 90 N 1.12 0.92 -0.00 1.81 2.04 -1.18 0.31 117.51 122.53 3hve h ILE 90 Ca 0.28 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3hve h ILE 90 Cb 0.02 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.01 3hve h ILE 90 CO -0.05 0.17 -0.57 0.49 0.00 0.00 0.00 178.15 178.19 3hve n PHE 91 N -4.67 0.00 -0.04 1.37 3.01 -0.93 -4.48 117.46 111.72 3hve n PHE 91 Ca 0.17 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.58 3hve n PHE 91 Cb 0.32 -0.13 -0.06 0.00 -0.01 0.00 0.00 39.48 39.60 3hve n PHE 91 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3hve n SER 92 N -1.12 2.96 0.00 4.37 3.41 -0.58 -4.78 113.62 117.87 3hve n SER 92 Ca 0.07 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3hve n SER 92 Cb 0.35 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 3hve n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hve n GLY 93 N 2.53 3.04 3.20 5.00 0.00 0.10 -5.04 105.19 114.03 3hve n GLY 93 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 3hve n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hve s GLN 94 N -0.54 0.35 0.32 1.61 -0.21 -1.26 -5.02 119.66 114.92 3hve s GLN 94 Ca 0.00 0.59 0.02 0.00 0.02 0.00 0.00 55.36 55.99 3hve s GLN 94 Cb 0.00 0.05 -0.03 0.00 1.00 0.00 0.00 33.01 34.03 3hve s GLN 94 CO 0.00 -0.11 0.50 0.96 -2.12 0.00 0.00 175.29 174.52 3hve s ILE 95 N 0.84 5.14 -0.64 1.08 -5.25 -1.26 -4.77 121.20 116.34 3hve s ILE 95 Ca -0.05 -0.58 0.05 0.00 -0.99 0.00 0.00 60.65 59.08 3hve s ILE 95 Cb -0.06 -3.86 0.20 0.00 2.95 0.00 0.00 42.46 41.69 3hve s ILE 95 CO -0.06 -0.51 0.57 -2.11 -1.79 0.00 0.00 174.94 171.05 3hve n ARG 96 N -1.70 1.87 -3.66 0.37 1.85 -1.26 -5.15 116.66 108.98 3hve n ARG 96 Ca -0.06 -4.37 -0.07 0.00 -1.00 0.00 0.00 57.85 52.36 3hve n ARG 96 Cb 0.56 -2.16 -0.08 0.00 -1.05 0.00 0.00 32.46 29.74 3hve n ARG 96 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3hve s LEU 97 N -1.68 -0.73 0.00 2.89 1.43 -1.26 -5.05 118.68 114.29 3hve s LEU 97 Ca 0.31 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 3hve s LEU 97 Cb 0.04 1.89 0.00 0.00 0.03 0.00 0.00 46.19 48.15 3hve s LEU 97 CO -0.11 -0.22 0.00 1.21 0.23 0.00 0.00 176.35 177.45 3hve n GLU 99 N 4.84 0.00 -2.00 1.70 0.00 -1.26 -5.00 120.64 118.91 3hve n GLU 99 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.57 3hve n GLU 99 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.95 3hve n GLU 99 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 3hve s ASP 100 N -0.14 6.41 0.00 4.31 1.47 -1.26 -4.97 116.67 122.49 3hve s ASP 100 Ca 0.00 1.95 0.00 0.00 1.18 0.00 0.00 52.55 55.68 3hve s ASP 100 Cb 0.00 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 40.05 3hve s ASP 100 CO 0.00 -1.18 0.00 -0.38 0.68 0.00 0.00 175.17 174.29 3hve n ILE 102 N 6.12 0.00 0.17 2.11 -0.00 -1.26 -5.01 119.36 121.49 3hve n ILE 102 Ca 0.19 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.98 3hve n ILE 102 Cb 0.44 0.00 0.21 0.00 -0.00 0.00 0.00 39.64 40.29 3hve n ILE 102 CO 0.00 0.00 0.00 0.06 -0.00 0.00 0.00 176.55 176.61 3hve h GLN 103 N 0.00 0.00 0.00 0.38 -0.00 -1.98 0.19 115.11 113.70 3hve h GLN 103 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.52 3hve h GLN 103 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.46 3hve h GLN 103 CO 0.00 0.00 -1.51 -0.40 -0.00 0.00 0.00 178.83 176.92 3hve n ASP 104 N -1.95 3.28 -0.35 0.06 3.85 -1.26 -3.46 116.55 116.72 3hve n ASP 104 Ca -0.01 -0.03 0.02 0.00 -0.71 0.00 0.00 54.79 54.06 3hve n ASP 104 Cb 0.53 0.11 0.16 0.00 -1.35 0.00 0.00 41.12 40.57 3hve n ASP 104 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 3hve h VAL 105 N 0.00 1.08 0.00 2.12 2.07 -1.13 0.36 116.25 120.74 3hve h VAL 105 Ca -0.20 -0.38 -0.15 0.00 0.82 0.00 0.00 66.70 66.79 3hve h VAL 105 Cb 1.35 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3hve h VAL 105 CO -0.02 0.20 -0.71 0.58 0.02 0.00 0.00 177.57 177.65 3hve h VAL 106 N 1.12 1.23 -0.92 2.57 2.07 -1.12 -1.31 116.25 119.90 3hve h VAL 106 Ca 0.41 -2.71 0.05 0.00 0.82 0.00 0.00 66.70 65.27 3hve h VAL 106 Cb 0.15 2.59 -0.06 0.00 -1.52 0.00 0.00 31.29 32.45 3hve h VAL 106 CO -0.17 0.70 0.60 -0.61 0.02 0.00 0.00 177.57 178.11 3hve h GLN 107 N 0.00 1.08 0.00 1.57 4.15 -0.62 -2.32 115.11 118.96 3hve h GLN 107 Ca -0.01 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 3hve h GLN 107 Cb 1.53 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.97 3hve h GLN 107 CO 0.09 0.71 -0.20 0.00 -1.93 0.00 0.00 178.83 177.51 3hve h ALA 108 N 1.48 0.04 -0.51 3.38 0.00 -0.36 -3.21 119.26 120.08 3hve h ALA 108 Ca 0.38 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.82 3hve h ALA 108 Cb 0.09 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 3hve h ALA 108 CO -0.13 0.12 -0.32 0.00 0.00 0.00 0.00 179.25 178.92 3hve h ALA 109 N -0.18 -0.08 -0.64 0.00 0.00 -1.17 0.97 119.26 118.16 3hve h ALA 109 Ca -0.05 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3hve h ALA 109 Cb 0.95 0.74 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 3hve h ALA 109 CO -0.03 -0.69 0.42 0.22 0.00 0.00 0.00 179.25 179.17 3hve h ASP 110 N -0.19 0.59 0.21 0.00 1.82 -1.59 0.50 116.42 117.75 3hve h ASP 110 Ca 0.21 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.84 3hve h ASP 110 Cb 0.54 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.42 3hve h ASP 110 CO -0.62 0.39 -0.10 0.25 -1.61 0.00 0.00 179.24 177.55 3hve h LEU 111 N 0.67 -0.23 0.00 2.28 5.85 0.35 -3.15 115.31 121.08 3hve h LEU 111 Ca 0.27 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hve h LEU 111 Cb 0.21 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3hve h LEU 111 CO -0.08 0.18 0.00 0.18 -0.34 0.00 0.00 178.44 178.38 3hve n LEU 112 N -5.03 0.00 -1.24 2.25 4.77 0.27 -4.79 117.00 113.22 3hve n LEU 112 Ca -0.09 0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.77 3hve n LEU 112 Cb 0.25 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 3hve n LEU 112 CO 0.30 -0.00 -0.15 0.18 -1.33 0.00 0.00 177.39 176.39 3hve n LEU 113 N -1.04 -1.13 -4.60 2.23 4.77 0.17 -3.63 117.00 113.76 3hve n LEU 113 Ca 0.22 0.40 -0.43 0.00 -0.03 0.00 0.00 56.01 56.18 3hve n LEU 113 Cb 0.13 -2.44 -0.03 0.00 -2.33 0.00 0.00 43.42 38.75 3hve n LEU 113 CO 0.19 -0.90 1.46 -0.76 -1.33 0.00 0.00 177.39 176.04 3hve s LEU 114 N -3.69 3.58 -0.06 2.23 1.43 -0.77 -4.70 118.68 116.70 3hve s LEU 114 Ca 0.00 1.28 -0.01 0.00 -1.03 0.00 0.00 54.13 54.37 3hve s LEU 114 Cb 0.00 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.69 3hve s LEU 114 CO 0.00 -1.58 -0.02 0.00 0.23 0.00 0.00 176.35 174.98 3hve h THR 115 N 6.64 0.00 -0.15 5.49 1.03 -1.89 -3.25 112.91 120.78 3hve h THR 115 Ca -0.33 -0.51 0.04 0.00 -0.01 0.00 0.00 66.41 65.61 3hve h THR 115 Cb 1.16 0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.23 3hve h THR 115 CO 1.03 0.00 0.30 0.44 -0.01 0.00 0.00 175.52 177.28 3hve h ASP 116 N -0.51 0.00 -0.22 0.00 3.32 -1.99 0.40 116.42 117.42 3hve h ASP 116 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3hve h ASP 116 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3hve h ASP 116 CO 0.00 0.00 -0.52 0.25 -1.72 0.00 0.00 179.24 177.25 3hve h LEU 117 N 0.00 0.84 -1.19 1.55 5.85 -1.97 -1.05 115.31 119.34 3hve h LEU 117 Ca 0.07 -0.56 -0.08 0.00 0.84 0.00 0.00 57.88 58.14 3hve h LEU 117 Cb 0.66 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3hve h LEU 117 CO -0.00 1.25 -0.40 0.50 -0.34 0.00 0.00 178.44 179.45 3hve h LYS 118 N 0.47 0.01 -0.37 1.25 3.64 -0.30 -0.74 116.57 120.53 3hve h LYS 118 Ca -0.00 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 3hve h LYS 118 Cb 1.13 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3hve h LYS 118 CO 0.11 0.41 -0.39 1.15 -2.27 0.00 0.00 179.45 178.46 3hve h THR 119 N 0.01 1.27 -0.66 1.00 2.02 -0.95 0.32 112.91 115.92 3hve h THR 119 Ca -0.00 -1.57 -0.06 0.00 0.77 0.00 0.00 66.41 65.55 3hve h THR 119 Cb 0.71 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 3hve h THR 119 CO 0.05 0.52 0.18 -0.07 0.37 0.00 0.00 175.52 176.58 3hve h LEU 120 N 0.74 0.96 -0.41 2.58 4.07 -0.66 -0.85 115.31 121.73 3hve h LEU 120 Ca 0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 57.81 3hve h LEU 120 Cb 0.98 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.46 3hve h LEU 120 CO 0.10 0.91 0.14 0.00 -1.08 0.00 0.00 178.44 178.51 3hve h GLU 123 N 0.32 0.80 0.00 0.00 5.08 -0.95 0.76 114.58 120.59 3hve h GLU 123 Ca 0.20 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3hve h GLU 123 Cb 0.18 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3hve h GLU 123 CO -0.20 0.53 -0.20 0.35 -1.00 0.00 0.00 179.01 178.49 3hve h PHE 124 N 0.82 0.00 0.00 4.33 3.57 -0.45 -2.98 116.94 122.23 3hve h PHE 124 Ca 0.37 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.72 3hve h PHE 124 Cb 0.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3hve h PHE 124 CO -0.06 0.20 -0.98 1.28 -2.23 0.00 0.00 178.31 176.52 3hve n LEU 125 N -3.86 1.84 -0.46 0.59 4.32 -0.19 -3.84 117.00 115.41 3hve n LEU 125 Ca -0.02 0.51 0.39 0.00 -0.02 0.00 0.00 56.01 56.87 3hve n LEU 125 Cb 0.29 -0.92 0.66 0.00 -1.62 0.00 0.00 43.42 41.83 3hve n LEU 125 CO 0.33 -0.03 1.18 1.21 -1.22 0.00 0.00 177.39 178.86 3hve n GLU 126 N -4.50 -0.03 -0.85 3.23 2.13 0.25 0.18 120.64 121.04 3hve n GLU 126 Ca -0.22 1.20 -0.04 0.00 0.66 0.00 0.00 57.16 58.76 3hve n GLU 126 Cb 0.51 -2.38 0.26 0.00 0.27 0.00 0.00 31.44 30.10 3hve n GLU 126 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hve n GLY 127 N -1.51 4.14 0.38 8.31 0.00 -1.13 -4.32 105.19 111.06 3hve n GLY 127 Ca 0.39 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 45.38 3hve n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hve s ILE 129 N -1.62 2.37 0.00 0.00 1.09 -1.24 -4.83 121.20 116.97 3hve s ILE 129 Ca 0.20 0.25 0.00 0.00 -1.10 0.00 0.00 60.65 60.00 3hve s ILE 129 Cb 0.14 -3.11 0.00 0.00 -1.06 0.00 0.00 42.46 38.44 3hve s ILE 129 CO 0.07 -0.04 0.00 0.00 -0.10 0.00 0.00 174.94 174.88 3hve n ALA 130 N -1.44 0.00 -3.63 9.38 0.00 -1.26 -4.98 120.51 118.57 3hve n ALA 130 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 3hve n ALA 130 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 3hve n ALA 130 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hve n ASN 133 N 0.00 -1.32 -0.00 0.00 4.13 -1.26 -4.76 115.26 112.05 3hve n ASN 133 Ca 0.00 -0.82 0.00 0.00 1.68 0.00 0.00 54.58 55.44 3hve n ASN 133 Cb 0.00 -1.16 -0.00 0.00 -1.54 0.00 0.00 39.78 37.08 3hve n ASN 133 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hve n ILE 135 N -1.57 1.60 0.25 0.00 5.41 -1.26 -3.89 119.36 119.90 3hve n ILE 135 Ca -0.00 -0.30 0.07 0.00 1.00 0.00 0.00 62.75 63.52 3hve n ILE 135 Cb 0.06 -1.88 0.59 0.00 -0.71 0.00 0.00 39.64 37.70 3hve n ILE 135 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3hve h GLY 136 N -0.18 0.00 0.72 7.39 0.00 -1.99 -2.62 103.07 106.39 3hve h GLY 136 Ca -0.44 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3hve h GLY 136 CO -0.15 0.00 -0.34 -2.22 0.00 0.00 0.00 176.54 173.82 3hve h ILE 137 N 0.00 0.00 -0.78 2.60 2.04 -1.80 0.31 117.51 119.88 3hve h ILE 137 Ca -0.00 -0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.08 3hve h ILE 137 Cb 0.12 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 3hve h ILE 137 CO 0.01 0.00 0.82 -0.09 0.00 0.00 0.00 178.15 178.89 3hve h ARG 138 N -0.97 0.00 0.00 2.37 2.43 -1.59 1.50 114.38 118.12 3hve h ARG 138 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3hve h ARG 138 Cb 0.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3hve h ARG 138 CO 0.16 0.00 -1.27 -0.25 -1.51 0.00 0.00 179.97 177.10 3hve n ASP 139 N -3.56 0.55 0.08 -3.80 8.00 -0.93 -3.42 116.55 113.47 3hve n ASP 139 Ca 0.16 0.09 -0.23 0.00 0.71 0.00 0.00 54.79 55.53 3hve n ASP 139 Cb 1.09 0.96 -0.15 0.00 -0.02 0.00 0.00 41.12 42.99 3hve n ASP 139 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3hve h PHE 140 N 0.00 0.71 0.00 1.24 3.57 0.58 -3.13 116.94 119.91 3hve h PHE 140 Ca 0.00 -0.52 -0.02 0.00 3.53 0.00 0.00 57.97 60.96 3hve h PHE 140 Cb 0.92 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 3hve h PHE 140 CO 0.00 1.53 -0.11 0.00 -2.23 0.00 0.00 178.31 177.50 3hve h ALA 141 N 0.08 1.37 0.19 2.41 0.00 -0.51 -2.89 119.26 119.90 3hve h ALA 141 Ca -0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3hve h ALA 141 Cb 1.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3hve h ALA 141 CO 0.18 0.14 -0.09 1.25 0.00 0.00 0.00 179.25 180.73 3hve h LEU 142 N 0.00 -0.22 -1.61 0.00 5.85 -1.59 0.34 115.31 118.08 3hve h LEU 142 Ca -0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3hve h LEU 142 Cb 0.28 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3hve h LEU 142 CO 0.01 0.32 0.22 -0.74 -0.34 0.00 0.00 178.44 177.92 3hve h HIS 143 N -0.90 0.00 -0.14 1.25 2.76 -1.47 0.97 115.15 117.62 3hve h HIS 143 Ca -0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3hve h HIS 143 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.46 3hve h HIS 143 CO 0.07 0.00 0.00 0.66 -1.30 0.00 0.00 177.93 177.36 3hve n TYR 144 N -2.50 0.36 -3.88 5.26 4.02 -1.11 -4.99 117.16 114.32 3hve n TYR 144 Ca -0.02 -0.76 -0.31 0.00 -0.01 0.00 0.00 57.90 56.81 3hve n TYR 144 Cb 0.26 -0.15 -0.03 0.00 -0.02 0.00 0.00 39.34 39.40 3hve n TYR 144 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hve s LEU 146 N -6.82 3.88 0.00 0.00 1.43 0.11 -5.02 118.68 112.26 3hve s LEU 146 Ca 0.60 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 3hve s LEU 146 Cb -0.33 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.08 3hve s LEU 146 CO 0.73 -0.36 0.00 1.57 0.23 0.00 0.00 176.35 178.53 3hve n HIS 148 N -1.35 0.00 -0.31 0.29 -0.00 -1.26 -1.45 115.22 111.15 3hve n HIS 148 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 3hve n HIS 148 Cb 0.54 0.00 0.14 0.00 -0.00 0.00 0.00 29.99 30.67 3hve n HIS 148 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3hve h VAL 149 N 0.00 1.05 0.65 3.57 2.07 -1.96 0.34 116.25 121.96 3hve h VAL 149 Ca 0.00 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3hve h VAL 149 Cb 0.00 -0.00 0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3hve h VAL 149 CO 0.00 0.18 -0.31 -0.74 0.02 0.00 0.00 177.57 176.71 3hve h HIS 150 N 0.97 -0.81 -1.14 1.57 2.76 -1.59 -2.03 115.15 114.88 3hve h HIS 150 Ca 0.37 -0.02 0.32 0.00 -2.20 0.00 0.00 60.37 58.84 3hve h HIS 150 Cb 0.16 0.27 -0.07 0.00 1.55 0.00 0.00 27.41 29.31 3hve h HIS 150 CO -0.03 -0.46 0.78 -0.92 -1.30 0.00 0.00 177.93 175.99 3hve h TYR 151 N -1.06 0.32 -0.01 5.26 5.03 -1.62 1.25 116.97 126.15 3hve h TYR 151 Ca -0.09 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.23 3hve h TYR 151 Cb 0.71 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.90 3hve h TYR 151 CO -0.00 0.01 -0.09 -0.11 -1.32 0.00 0.00 178.16 176.64 3hve n LEU 152 N -4.41 0.69 -0.12 2.82 7.94 0.11 -3.10 117.00 120.94 3hve n LEU 152 Ca 0.26 -0.13 -0.19 0.00 -1.11 0.00 0.00 56.01 54.84 3hve n LEU 152 Cb 1.11 -0.11 -0.11 0.00 0.53 0.00 0.00 43.42 44.84 3hve n LEU 152 CO 0.33 0.12 -1.31 0.00 -1.11 0.00 0.00 177.39 175.42 3hve n ALA 153 N -0.69 1.45 -0.05 1.96 0.00 0.42 -4.37 120.51 119.23 3hve n ALA 153 Ca 0.16 -1.03 -0.01 0.00 0.00 0.00 0.00 53.44 52.56 3hve n ALA 153 Cb 0.28 -0.02 0.27 0.00 0.00 0.00 0.00 19.45 19.98 3hve n ALA 153 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hve h THR 154 N -0.15 1.20 0.00 0.00 2.02 -1.19 -2.55 112.91 112.24 3hve h THR 154 Ca -0.56 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 65.88 3hve h THR 154 Cb 1.79 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 3hve h THR 154 CO -0.14 0.27 0.00 1.21 0.37 0.00 0.00 175.52 177.23 3hve n GLU 155 N -4.30 0.86 -0.04 6.66 0.00 -1.18 0.17 120.64 122.81 3hve n GLU 155 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.14 3hve n GLU 155 Cb 0.22 -1.13 -0.04 0.00 0.00 0.00 0.00 31.44 30.49 3hve n GLU 155 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 3hve n TYR 156 N -0.63 0.00 0.03 4.31 9.36 -0.99 -4.39 117.16 124.86 3hve n TYR 156 Ca 0.05 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.08 3hve n TYR 156 Cb 0.02 -0.33 -0.12 0.00 -0.63 0.00 0.00 39.34 38.28 3hve n TYR 156 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 3hve h LEU 157 N 0.00 0.58 -2.06 2.98 5.85 -1.25 -1.46 115.31 119.95 3hve h LEU 157 Ca -0.19 -0.83 0.11 0.00 0.84 0.00 0.00 57.88 57.81 3hve h LEU 157 Cb 1.34 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3hve h LEU 157 CO -0.02 1.34 0.31 -0.08 -0.34 0.00 0.00 178.44 179.66 3hve h GLU 158 N -0.10 0.00 0.00 1.25 4.81 0.14 -2.62 114.58 118.06 3hve h GLU 158 Ca -0.11 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.72 3hve h GLU 158 Cb 1.52 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.83 3hve h GLU 158 CO 0.15 0.00 -2.42 2.41 -0.73 0.00 0.00 179.01 178.42 3hve n THR 159 N -4.11 1.41 -0.26 0.32 -1.04 -1.22 -4.54 114.28 104.84 3hve n THR 159 Ca 0.06 -0.45 0.05 0.00 -2.04 0.00 0.00 64.05 61.67 3hve n THR 159 Cb 0.49 -1.60 0.28 0.00 -1.82 0.00 0.00 70.33 67.68 3hve n THR 159 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3hve n HIS 160 N -3.68 1.39 0.20 -1.42 8.25 -0.55 -4.49 115.22 114.92 3hve n HIS 160 Ca -0.47 -0.49 0.04 0.00 -0.26 0.00 0.00 57.72 56.54 3hve n HIS 160 Cb 0.91 -0.35 0.20 0.00 1.12 0.00 0.00 29.99 31.87 3hve n HIS 160 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3hve h PHE 161 N 2.82 0.00 0.12 4.41 3.57 -1.66 -0.85 116.94 125.35 3hve h PHE 161 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3hve h PHE 161 Cb 1.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.20 3hve h PHE 161 CO 0.73 0.00 -0.06 0.00 -2.23 0.00 0.00 178.31 176.75 3hve h ARG 162 N 0.00 -0.16 0.00 1.11 -0.00 -1.89 -2.80 114.38 110.64 3hve h ARG 162 Ca 0.00 0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 59.46 3hve h ARG 162 Cb 1.15 0.04 -0.00 0.00 0.00 0.00 0.00 29.97 31.16 3hve h ARG 162 CO 0.00 -0.11 -0.13 0.38 0.00 0.00 0.00 179.97 180.12 3hve h ASP 163 N -0.29 0.00 -0.73 7.04 -0.00 -1.65 -1.95 116.42 118.84 3hve h ASP 163 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.03 57.02 3hve h ASP 163 Cb 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.42 3hve h ASP 163 CO 0.03 0.13 0.48 0.58 -0.00 0.00 0.00 179.24 180.46 3hve h VAL 164 N 0.00 1.18 0.00 4.15 2.07 -1.27 0.28 116.25 122.67 3hve h VAL 164 Ca -0.00 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3hve h VAL 164 Cb 0.43 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3hve h VAL 164 CO 0.02 0.18 -0.09 0.00 0.02 0.00 0.00 177.57 177.70 3hve s LYS 211 N -5.57 0.53 -0.04 0.00 -0.14 -1.26 -5.24 119.74 108.02 3hve s LYS 211 Ca 0.00 0.91 0.14 0.00 -1.36 0.00 0.00 55.97 55.66 3hve s LYS 211 Cb 0.00 0.09 0.27 0.00 -1.68 0.00 0.00 37.83 36.51 3hve s LYS 211 CO 0.00 -0.14 1.12 1.55 -0.76 0.00 0.00 175.35 177.12 3hve n VAL 212 N 3.97 0.53 -3.18 3.17 3.14 -1.26 -5.05 118.33 119.65 3hve n VAL 212 Ca -0.20 -1.13 -0.29 0.00 -2.96 0.00 0.00 64.34 59.76 3hve n VAL 212 Cb 0.57 0.52 -0.05 0.00 -1.06 0.00 0.00 33.84 33.81 3hve n VAL 212 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3hve n HIS 213 N -0.12 3.69 0.00 1.45 -0.00 -1.26 -4.93 115.22 114.05 3hve n HIS 213 Ca 0.07 -3.93 0.00 0.00 -0.00 0.00 0.00 57.72 53.86 3hve n HIS 213 Cb 0.88 -0.61 0.00 0.00 -0.00 0.00 0.00 29.99 30.26 3hve n HIS 213 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 3hve n LYS 215 N 0.42 0.00 0.13 -0.41 -0.00 -1.26 -2.59 118.16 114.46 3hve n LYS 215 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 3hve n LYS 215 Cb 0.39 0.00 0.29 0.00 -0.00 0.00 0.00 35.03 35.71 3hve n LYS 215 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3hve h ASP 216 N 0.00 0.13 0.00 -5.58 5.19 -2.04 -0.14 116.42 113.97 3hve h ASP 216 Ca 0.00 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3hve h ASP 216 Cb 0.00 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.47 3hve h ASP 216 CO 0.00 0.51 0.00 0.52 -3.12 0.00 0.00 179.24 177.15 3hve n VAL 217 N -4.06 0.00 0.00 -1.35 0.31 -1.07 -1.56 118.33 110.61 3hve n VAL 217 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3hve n VAL 217 Cb 0.44 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 3hve n VAL 217 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3hve n SER 219 N -0.15 0.00 0.42 4.52 2.88 -0.07 0.15 113.62 121.37 3hve n SER 219 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 3hve n SER 219 Cb 0.09 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.45 3hve n SER 219 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hve h ALA 220 N 0.00 -1.22 -0.80 -1.46 0.00 -1.50 -1.98 119.26 112.30 3hve h ALA 220 Ca 0.00 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 54.83 3hve h ALA 220 Cb 0.00 0.60 -0.15 0.00 0.00 0.00 0.00 17.79 18.24 3hve h ALA 220 CO 0.00 -1.21 -0.16 -0.07 0.00 0.00 0.00 179.25 177.81 3hve h LEU 221 N -1.17 -0.68 0.34 0.00 3.38 0.12 0.24 115.31 117.54 3hve h LEU 221 Ca -0.10 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3hve h LEU 221 Cb 0.94 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 3hve h LEU 221 CO 0.10 -0.26 -0.39 -0.25 0.09 0.00 0.00 178.44 177.73 3hve h TRP 222 N 0.01 -1.09 -0.98 1.13 7.01 -1.71 1.81 115.95 122.13 3hve h TRP 222 Ca 0.40 0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.59 3hve h TRP 222 Cb 0.63 0.43 -0.09 0.00 -2.10 0.00 0.00 29.16 28.03 3hve h TRP 222 CO -0.60 -0.51 0.61 0.28 -2.79 0.00 0.00 178.44 175.43 3hve h VAL 223 N -0.75 0.74 0.02 2.65 2.07 -0.53 0.78 116.25 121.24 3hve h VAL 223 Ca -0.04 -0.25 -0.20 0.00 0.82 0.00 0.00 66.70 67.03 3hve h VAL 223 Cb 0.66 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3hve h VAL 223 CO -0.07 0.13 -0.93 0.77 0.02 0.00 0.00 177.57 177.49 3hve h SER 224 N 0.72 0.16 -2.71 0.57 4.64 -0.00 -3.51 113.55 113.41 3hve h SER 224 Ca 0.54 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3hve h SER 224 Cb 0.89 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3hve h SER 224 CO -0.31 1.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 3hve n GLY 225 N 1.03 -2.57 0.00 -0.77 0.00 0.61 -5.06 105.19 98.43 3hve n GLY 225 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3hve n GLY 225 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hve n SER 228 N 0.00 0.00 -0.25 1.61 3.41 -1.26 -4.89 113.62 112.24 3hve n SER 228 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 3hve n SER 228 Cb 0.00 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.45 3hve n SER 228 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hve n SER 229 N 0.00 0.92 0.15 4.04 3.41 -1.26 -3.36 113.62 117.52 3hve n SER 229 Ca 0.00 -0.93 -0.08 0.00 -0.26 0.00 0.00 58.87 57.59 3hve n SER 229 Cb 0.00 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 3hve n SER 229 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3hve h TYR 230 N 1.22 -0.43 -0.60 7.33 -1.99 -1.99 -0.84 116.97 119.66 3hve h TYR 230 Ca 0.00 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.79 3hve h TYR 230 Cb 0.44 0.14 -0.06 0.00 2.00 0.00 0.00 36.73 39.25 3hve h TYR 230 CO 0.00 -0.22 0.28 1.25 -0.00 0.00 0.00 178.16 179.47 3hve h LEU 231 N -1.10 0.36 -0.33 3.88 5.85 -1.98 0.39 115.31 122.38 3hve h LEU 231 Ca -0.05 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3hve h LEU 231 Cb 0.40 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3hve h LEU 231 CO 0.08 0.23 -0.00 0.03 -0.34 0.00 0.00 178.44 178.43 3hve h ARG 232 N 0.51 0.09 -0.61 1.25 -0.00 -1.61 -1.73 114.38 112.28 3hve h ARG 232 Ca 0.29 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 59.73 3hve h ARG 232 Cb 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.19 3hve h ARG 232 CO -0.23 0.06 0.26 1.05 0.00 0.00 0.00 179.97 181.10 3hve h GLU 233 N 0.09 0.87 -2.18 0.04 -0.00 0.57 -3.31 114.58 110.67 3hve h GLU 233 Ca 0.16 -0.13 -0.01 0.00 -0.00 0.00 0.00 59.36 59.38 3hve h GLU 233 Cb 0.22 -0.16 -0.01 0.00 -0.00 0.00 0.00 28.75 28.81 3hve h GLU 233 CO -0.27 0.70 0.06 0.00 -0.00 0.00 0.00 179.01 179.50 3hve n GLN 234 N -4.33 0.38 0.00 1.06 10.64 0.12 -3.45 117.38 121.79 3hve n GLN 234 Ca 0.05 -0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 3hve n GLN 234 Cb 0.16 -1.43 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 3hve n GLN 234 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3hve n LEU 236 N 2.11 0.00 -0.10 2.61 7.94 -1.25 0.12 117.00 128.43 3hve n LEU 236 Ca 0.03 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.81 3hve n LEU 236 Cb 0.18 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.03 3hve n LEU 236 CO 0.05 0.00 -1.13 0.59 -1.11 0.00 0.00 177.39 175.80 3hve n ASN 237 N 0.00 2.10 -4.47 1.96 3.02 -1.22 -5.01 115.26 111.64 3hve n ASN 237 Ca 0.00 -0.08 -0.31 0.00 -0.03 0.00 0.00 54.58 54.16 3hve n ASN 237 Cb 0.00 -0.02 0.19 0.00 -0.61 0.00 0.00 39.78 39.34 3hve n ASN 237 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3hve n GLU 238 N -2.97 -1.28 0.00 3.52 0.28 0.32 -5.27 120.64 115.24 3hve n GLU 238 Ca -0.33 -0.34 0.00 0.00 -0.16 0.00 0.00 57.16 56.33 3hve n GLU 238 Cb 0.91 -2.05 0.00 0.00 1.43 0.00 0.00 31.44 31.74 3hve n GLU 238 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62