#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ias h ARG 16 N 0.00 0.68 -0.11 3.49 1.12 -2.03 -1.95 114.38 115.58 3ias h ARG 16 Ca 0.00 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 3ias h ARG 16 Cb 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 29.81 3ias h ARG 16 CO 0.00 0.45 0.00 -1.91 -3.11 0.00 0.00 179.97 175.40 3ias n GLU 17 N -4.51 2.21 -0.76 0.20 4.07 -1.26 -4.38 120.64 116.21 3ias n GLU 17 Ca 0.14 -1.78 -0.29 0.00 -0.06 0.00 0.00 57.16 55.17 3ias n GLU 17 Cb 0.36 -1.47 0.24 0.00 -0.06 0.00 0.00 31.44 30.51 3ias n GLU 17 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3ias s GLY 18 N -1.86 1.53 0.08 8.31 0.00 -0.73 -4.80 107.32 109.85 3ias s GLY 18 Ca 0.32 -0.41 -0.20 0.00 0.00 0.00 0.00 44.72 44.43 3ias s GLY 18 CO 0.31 0.35 1.55 -2.22 0.00 0.00 0.00 173.10 173.09 3ias h ILE 19 N -2.56 1.22 -0.58 0.90 2.04 -1.93 -2.22 117.51 114.37 3ias h ILE 19 Ca -0.56 -0.70 0.11 0.00 1.00 0.00 0.00 64.86 64.71 3ias h ILE 19 Cb 1.33 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 38.65 3ias h ILE 19 CO 0.48 0.21 0.12 0.25 0.00 0.00 0.00 178.15 179.21 3ias h LEU 20 N 0.10 -0.01 -0.01 1.44 5.85 -1.92 0.20 115.31 120.97 3ias h LEU 20 Ca 0.06 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3ias h LEU 20 Cb 0.29 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3ias h LEU 20 CO 0.00 0.01 -0.02 0.15 -0.34 0.00 0.00 178.44 178.24 3ias h PHE 21 N 0.25 0.03 0.06 1.25 3.57 -1.78 -3.11 116.94 117.21 3ias h PHE 21 Ca 0.30 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.80 3ias h PHE 21 Cb 0.44 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 3ias h PHE 21 CO -0.25 0.64 -0.52 1.15 -2.23 0.00 0.00 178.31 177.11 3ias h THR 22 N -0.58 0.00 -0.16 4.41 2.02 -0.75 -0.60 112.91 117.25 3ias h THR 22 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3ias h THR 22 Cb 0.64 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3ias h THR 22 CO 0.00 0.00 0.13 0.74 0.37 0.00 0.00 175.52 176.76 3ias h THR 23 N -0.69 0.81 0.61 3.16 2.02 -0.77 0.37 112.91 118.42 3ias h THR 23 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3ias h THR 23 Cb 0.71 0.91 0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3ias h THR 23 CO -0.31 0.00 -0.29 -0.07 0.37 0.00 0.00 175.52 175.21 3ias h LEU 24 N 0.00 -0.69 -2.58 2.58 4.07 -1.33 -2.28 115.31 115.08 3ias h LEU 24 Ca 0.08 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 3ias h LEU 24 Cb 0.33 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.25 3ias h LEU 24 CO -0.00 -0.41 -0.01 1.05 -1.08 0.00 0.00 178.44 177.99 3ias h GLU 25 N -0.98 0.00 0.00 1.13 4.11 -0.22 0.30 114.58 118.92 3ias h GLU 25 Ca -0.08 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.27 3ias h GLU 25 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3ias h GLU 25 CO 0.14 0.01 -0.38 0.87 0.07 0.00 0.00 179.01 179.72 3ias h LYS 26 N 0.00 0.00 0.16 1.06 1.57 -0.30 -1.41 116.57 117.65 3ias h LYS 26 Ca -0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 3ias h LYS 26 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.45 3ias h LYS 26 CO 0.00 0.38 -1.34 -0.07 -0.57 0.00 0.00 179.45 177.84 3ias h LEU 27 N 0.00 0.54 0.24 2.94 4.07 -0.12 -2.95 115.31 120.04 3ias h LEU 27 Ca -0.00 -0.91 0.01 0.00 0.08 0.00 0.00 57.88 57.05 3ias h LEU 27 Cb 1.29 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.83 3ias h LEU 27 CO 0.05 1.62 -0.28 0.58 -1.08 0.00 0.00 178.44 179.32 3ias h VAL 28 N -0.15 0.40 0.08 1.22 2.07 -0.58 0.40 116.25 119.69 3ias h VAL 28 Ca -0.26 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3ias h VAL 28 Cb 1.88 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3ias h VAL 28 CO 0.15 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.57 3ias h ALA 29 N 0.05 -0.27 -0.63 1.67 0.00 -1.40 0.20 119.26 118.88 3ias h ALA 29 Ca -0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.07 3ias h ALA 29 Cb 0.54 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3ias h ALA 29 CO -0.08 -0.69 0.57 2.35 0.00 0.00 0.00 179.25 181.40 3ias h TRP 30 N -0.32 0.00 0.00 0.00 2.91 -1.31 0.35 115.95 117.59 3ias h TRP 30 Ca 0.03 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3ias h TRP 30 Cb 0.35 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.00 3ias h TRP 30 CO -0.18 0.00 0.00 0.41 -1.03 0.00 0.00 178.44 177.64 3ias n GLY 31 N -1.59 -1.90 0.00 2.65 0.00 0.66 -3.12 105.19 101.89 3ias n GLY 31 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 3ias n GLY 31 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ias n ARG 32 N -1.50 0.36 0.09 1.61 1.85 -0.94 -0.67 116.66 117.46 3ias n ARG 32 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.94 3ias n ARG 32 Cb 0.00 -1.46 0.41 0.00 -1.05 0.00 0.00 32.46 30.36 3ias n ARG 32 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3ias n SER 33 N -0.96 0.40 0.00 2.89 2.88 0.08 -3.23 113.62 115.68 3ias n SER 33 Ca 0.08 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 3ias n SER 33 Cb 0.04 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 3ias n SER 33 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3ias n ASN 34 N -1.98 4.20 -1.06 -3.46 4.13 0.15 -4.59 115.26 112.65 3ias n ASN 34 Ca 0.01 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.25 3ias n ASN 34 Cb 0.14 0.78 0.02 0.00 -1.54 0.00 0.00 39.78 39.18 3ias n ASN 34 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3ias n SER 35 N -1.33 2.86 -4.68 6.41 3.41 -1.18 -4.88 113.62 114.24 3ias n SER 35 Ca 0.00 -2.15 -0.42 0.00 -0.26 0.00 0.00 58.87 56.04 3ias n SER 35 Cb 0.06 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 3ias n SER 35 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ias s LEU 36 N -0.31 4.30 -0.77 1.04 1.43 -1.22 -4.94 118.68 118.21 3ias s LEU 36 Ca 0.05 2.08 0.01 0.00 -1.03 0.00 0.00 54.13 55.25 3ias s LEU 36 Cb 0.05 -3.55 0.19 0.00 0.03 0.00 0.00 46.19 42.90 3ias s LEU 36 CO 0.01 -0.76 0.60 0.86 0.23 0.00 0.00 176.35 177.29 3ias s TRP 37 N 2.82 3.68 -0.41 0.29 -0.00 -1.26 -5.05 118.94 119.02 3ias s TRP 37 Ca 0.64 -3.16 -0.37 0.00 -0.00 0.00 0.00 56.10 53.22 3ias s TRP 37 Cb -0.30 -2.98 -0.13 0.00 -0.00 0.00 0.00 33.47 30.05 3ias s TRP 37 CO 0.25 -0.66 2.20 -2.30 -0.00 0.00 0.00 176.95 176.44 3ias n PRO 38 N 2.29 0.78 -3.62 5.86 -0.02 -1.26 -3.57 135.00 135.46 3ias n PRO 38 Ca 0.19 0.20 -0.37 0.00 -2.02 0.00 0.00 63.50 61.51 3ias n PRO 38 Cb 0.36 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 3ias n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ias s ALA 39 N 7.16 4.24 0.52 3.55 0.00 -0.59 -5.02 121.76 131.61 3ias s ALA 39 Ca 1.13 -3.80 -0.21 0.00 0.00 0.00 0.00 51.96 49.07 3ias s ALA 39 Cb -1.01 -2.86 -0.08 0.00 0.00 0.00 0.00 23.12 19.16 3ias s ALA 39 CO 0.53 -2.15 0.92 -2.37 0.00 0.00 0.00 175.76 172.69 3ias n THR 40 N 2.43 2.91 -3.20 0.00 5.66 -1.26 -3.33 114.28 117.49 3ias n THR 40 Ca 0.21 -0.50 -0.23 0.00 -3.05 0.00 0.00 64.05 60.48 3ias n THR 40 Cb 0.37 -1.09 -0.06 0.00 -1.55 0.00 0.00 70.33 68.00 3ias n THR 40 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3ias n PHE 41 N -1.16 0.17 -2.39 1.09 7.35 0.05 -4.80 117.46 117.76 3ias n PHE 41 Ca 0.11 -3.67 -0.33 0.00 -0.76 0.00 0.00 57.45 52.80 3ias n PHE 41 Cb 0.44 -0.38 -0.02 0.00 0.35 0.00 0.00 39.48 39.86 3ias n PHE 41 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3ias s GLY 42 N -1.59 2.29 0.00 7.13 0.00 -1.26 -3.38 107.32 110.51 3ias s GLY 42 Ca 0.37 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.53 3ias s GLY 42 CO -0.10 0.74 0.00 1.04 0.00 0.00 0.00 173.10 174.79 3ias n LEU 43 N -1.38 0.00 0.00 0.66 4.77 0.02 -4.91 117.00 116.16 3ias n LEU 43 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3ias n LEU 43 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3ias n LEU 43 CO 0.43 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.49 3ias n ALA 44 N -2.37 0.00 0.01 -1.18 0.00 -1.25 -4.66 120.51 111.05 3ias n ALA 44 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3ias n ALA 44 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 3ias n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ias h ALA 47 N 1.96 1.70 0.00 0.00 0.00 -1.41 -2.40 119.26 119.11 3ias h ALA 47 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ias h ALA 47 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ias h ALA 47 CO -0.00 0.05 -0.78 -0.89 0.00 0.00 0.00 179.25 177.63 3ias n ILE 48 N -4.15 0.19 0.40 0.00 5.41 -0.62 -3.57 119.36 117.02 3ias n ILE 48 Ca -0.03 -0.19 0.11 0.00 1.00 0.00 0.00 62.75 63.64 3ias n ILE 48 Cb 0.12 0.13 -0.07 0.00 -0.71 0.00 0.00 39.64 39.11 3ias n ILE 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3ias n GLU 49 N -1.89 0.40 0.15 0.38 4.07 -0.93 -3.88 120.64 118.94 3ias n GLU 49 Ca 0.03 -0.06 0.09 0.00 -0.06 0.00 0.00 57.16 57.16 3ias n GLU 49 Cb 0.41 -1.57 0.07 0.00 -0.06 0.00 0.00 31.44 30.29 3ias n GLU 49 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 3ias h MET 50 N 0.00 0.00 0.00 5.31 4.05 -1.58 -3.18 114.93 119.53 3ias h MET 50 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3ias h MET 50 Cb 0.81 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.61 3ias h MET 50 CO 0.00 0.12 0.00 -1.33 0.23 0.00 0.00 176.91 175.93 3ias n MET 51 N -2.98 0.41 -0.10 0.39 2.81 -1.23 -2.17 117.12 114.24 3ias n MET 51 Ca 0.01 0.06 0.11 0.00 -1.81 0.00 0.00 57.70 56.06 3ias n MET 51 Cb 0.61 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.77 3ias n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3ias n ALA 52 N -1.22 2.42 -0.03 3.04 0.00 -1.20 -3.50 120.51 120.02 3ias n ALA 52 Ca 0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 53.44 52.67 3ias n ALA 52 Cb 0.15 -0.75 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 3ias n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ias n SER 53 N 1.26 3.55 0.08 0.00 3.41 -0.92 -4.28 113.62 116.70 3ias n SER 53 Ca 0.15 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.87 3ias n SER 53 Cb 0.54 0.18 0.46 0.00 -0.26 0.00 0.00 64.21 65.14 3ias n SER 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ias n THR 54 N -2.50 0.52 -0.02 6.66 -1.04 -1.06 -2.83 114.28 113.99 3ias n THR 54 Ca -0.11 -0.11 -0.08 0.00 -2.04 0.00 0.00 64.05 61.71 3ias n THR 54 Cb 0.65 -0.68 -0.14 0.00 -1.82 0.00 0.00 70.33 68.35 3ias n THR 54 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3ias n ASP 55 N -2.04 0.77 -0.31 8.00 8.00 -1.23 -4.18 116.55 125.57 3ias n ASP 55 Ca 0.05 0.36 0.12 0.00 0.71 0.00 0.00 54.79 56.04 3ias n ASP 55 Cb 0.36 0.09 0.35 0.00 -0.02 0.00 0.00 41.12 41.91 3ias n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ias h ALA 56 N 1.05 1.77 -3.00 2.24 0.00 -1.71 -3.51 119.26 116.11 3ias h ALA 56 Ca -0.30 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ias h ALA 56 Cb 1.99 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.65 3ias h ALA 56 CO 0.07 -0.05 0.00 2.89 0.00 0.00 0.00 179.25 182.16 3ias n ARG 57 N -4.61 0.00 0.00 0.00 -4.01 -1.25 -5.12 116.66 101.66 3ias n ARG 57 Ca 0.19 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.00 3ias n ARG 57 Cb 0.50 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.92 3ias n ARG 57 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 3ias n GLN 74 N 0.00 0.00 -4.48 2.89 1.13 -1.26 -5.13 117.38 110.54 3ias n GLN 74 Ca 0.00 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 3ias n GLN 74 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.20 3ias n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ias s ALA 75 N 0.00 0.95 0.56 -1.58 0.00 -1.26 -4.97 121.76 115.46 3ias s ALA 75 Ca 0.00 -0.52 0.08 0.00 0.00 0.00 0.00 51.96 51.52 3ias s ALA 75 Cb 0.00 -0.23 0.07 0.00 0.00 0.00 0.00 23.12 22.96 3ias s ALA 75 CO 0.00 0.23 0.62 0.16 0.00 0.00 0.00 175.76 176.77 3ias s ASP 76 N -0.35 4.90 -0.38 0.00 -4.77 -1.23 -4.39 116.67 110.44 3ias s ASP 76 Ca 0.04 -1.02 -0.15 0.00 -3.30 0.00 0.00 52.55 48.13 3ias s ASP 76 Cb -0.05 0.34 0.02 0.00 -1.09 0.00 0.00 42.92 42.14 3ias s ASP 76 CO -0.00 -1.23 0.44 0.52 0.70 0.00 0.00 175.17 175.59 3ias n VAL 77 N -2.03 -9.93 -3.26 2.11 0.31 -1.21 -3.85 118.33 100.46 3ias n VAL 77 Ca 0.08 1.00 -0.39 0.00 -0.01 0.00 0.00 64.34 65.02 3ias n VAL 77 Cb 0.63 -6.51 -0.06 0.00 -0.91 0.00 0.00 33.84 26.99 3ias n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ias s MET 78 N -2.28 4.26 -0.33 5.55 0.23 -0.32 -1.54 119.30 124.87 3ias s MET 78 Ca 0.20 0.67 -0.08 0.00 -1.03 0.00 0.00 55.69 55.45 3ias s MET 78 Cb -0.05 -3.32 0.02 0.00 -1.53 0.00 0.00 34.83 29.96 3ias s MET 78 CO 0.75 0.43 0.13 0.42 -2.03 0.00 0.00 175.02 174.71 3ias s ILE 79 N -0.36 4.09 -0.42 3.16 1.01 -1.21 -2.59 121.20 124.88 3ias s ILE 79 Ca 0.29 -0.89 -0.26 0.00 0.00 0.00 0.00 60.65 59.79 3ias s ILE 79 Cb -0.18 -3.23 0.02 0.00 0.01 0.00 0.00 42.46 39.08 3ias s ILE 79 CO 0.16 -0.10 0.94 -0.69 0.00 0.00 0.00 174.94 175.25 3ias s VAL 80 N 1.48 4.50 -0.52 2.92 1.01 -0.73 -0.77 120.40 128.29 3ias s VAL 80 Ca 0.01 0.99 0.04 0.00 0.00 0.00 0.00 61.98 63.02 3ias s VAL 80 Cb -0.19 -4.40 0.13 0.00 0.00 0.00 0.00 36.38 31.93 3ias s VAL 80 CO 0.04 -0.71 0.28 0.00 0.00 0.00 0.00 175.10 174.70 3ias s ALA 81 N 3.69 3.10 0.00 5.51 0.00 -1.22 0.12 121.76 132.96 3ias s ALA 81 Ca 0.38 -3.18 0.00 0.00 0.00 0.00 0.00 51.96 49.16 3ias s ALA 81 Cb -0.11 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.91 3ias s ALA 81 CO 0.23 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.37 3ias n GLY 82 N 3.09 0.99 3.65 0.00 0.00 -1.24 -0.80 105.19 110.87 3ias n GLY 82 Ca 0.07 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 3ias n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ias s ARG 83 N -1.10 3.98 -0.63 1.61 3.03 -1.26 -3.47 118.95 121.10 3ias s ARG 83 Ca 0.00 2.07 -0.22 0.00 2.03 0.00 0.00 55.73 59.61 3ias s ARG 83 Cb 0.00 -4.05 0.08 0.00 -1.03 0.00 0.00 34.95 29.95 3ias s ARG 83 CO 0.00 -1.09 0.89 -1.17 -1.13 0.00 0.00 175.30 172.80 3ias s LEU 84 N 4.77 4.64 0.92 -1.89 1.98 -1.26 -4.73 118.68 123.10 3ias s LEU 84 Ca 0.77 -1.07 -0.11 0.00 -2.89 0.00 0.00 54.13 50.83 3ias s LEU 84 Cb -0.32 -2.41 0.15 0.00 0.66 0.00 0.00 46.19 44.27 3ias s LEU 84 CO 0.31 -1.34 1.12 -0.55 -1.89 0.00 0.00 176.35 174.00 3ias s SER 85 N 3.60 2.99 0.31 3.68 0.15 -1.26 -2.12 113.70 121.05 3ias s SER 85 Ca 0.20 1.98 0.14 0.00 0.70 0.00 0.00 55.95 58.97 3ias s SER 85 Cb -0.19 -2.50 0.46 0.00 -1.71 0.00 0.00 66.02 62.09 3ias s SER 85 CO 0.10 -3.02 1.65 0.11 1.20 0.00 0.00 173.24 173.27 3ias h LYS 86 N -1.81 0.00 -0.29 5.44 1.57 -1.85 -2.18 116.57 117.44 3ias h LYS 86 Ca -0.46 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.19 3ias h LYS 86 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 3ias h LYS 86 CO 0.45 0.52 -0.31 -0.22 -0.57 0.00 0.00 179.45 179.33 3ias h LYS 87 N 0.00 0.73 0.00 3.15 3.64 -1.91 -2.96 116.57 119.22 3ias h LYS 87 Ca -0.01 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3ias h LYS 87 Cb 1.04 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3ias h LYS 87 CO 0.07 1.01 0.00 1.98 -2.27 0.00 0.00 179.45 180.24 3ias h MET 88 N 0.48 0.00 0.81 1.90 4.05 -1.89 -3.36 114.93 116.92 3ias h MET 88 Ca 0.04 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.43 3ias h MET 88 Cb 0.89 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 3ias h MET 88 CO 0.08 0.00 -0.43 0.00 0.23 0.00 0.00 176.91 176.79 3ias h ALA 89 N 2.13 -1.29 0.00 0.39 0.00 -1.21 -2.02 119.26 117.26 3ias h ALA 89 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ias h ALA 89 Cb 0.50 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ias h ALA 89 CO 0.00 -1.22 0.00 -0.35 0.00 0.00 0.00 179.25 177.68 3ias n PRO 90 N -5.20 0.04 -0.08 0.00 -0.04 -1.26 -1.60 135.00 126.86 3ias n PRO 90 Ca -0.14 0.51 -0.13 0.00 -0.04 0.00 0.00 63.50 63.70 3ias n PRO 90 Cb 0.46 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 3ias n PRO 90 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ias h VAL 91 N 0.00 0.97 -0.29 0.52 2.07 -1.61 -3.20 116.25 114.70 3ias h VAL 91 Ca 0.00 -1.89 0.08 0.00 0.82 0.00 0.00 66.70 65.70 3ias h VAL 91 Cb 0.02 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3ias h VAL 91 CO 0.00 0.33 0.20 -0.03 0.02 0.00 0.00 177.57 178.09 3ias h MET 92 N -1.00 0.04 0.03 1.57 1.85 -0.89 -2.17 114.93 114.36 3ias h MET 92 Ca -0.12 -0.00 0.03 0.00 -0.61 0.00 0.00 59.70 58.99 3ias h MET 92 Cb 0.88 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.86 3ias h MET 92 CO -0.07 0.03 -0.24 -0.09 -0.40 0.00 0.00 176.91 176.14 3ias h ARG 93 N 0.04 -0.37 -0.70 0.39 9.65 -1.39 -2.02 114.38 119.98 3ias h ARG 93 Ca 0.13 0.03 0.02 0.00 -1.10 0.00 0.00 59.98 59.06 3ias h ARG 93 Cb 0.49 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.11 3ias h ARG 93 CO -0.01 -0.25 0.45 0.00 2.80 0.00 0.00 179.97 182.96 3ias h ARG 94 N -0.39 0.87 -0.69 0.20 3.08 -1.39 -1.83 114.38 114.23 3ias h ARG 94 Ca 0.05 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.14 3ias h ARG 94 Cb 0.45 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 3ias h ARG 94 CO -0.19 0.57 0.46 0.28 -1.07 0.00 0.00 179.97 180.02 3ias h VAL 95 N 0.89 0.94 0.01 2.04 2.07 -1.17 -1.82 116.25 119.21 3ias h VAL 95 Ca 0.27 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3ias h VAL 95 Cb -0.04 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3ias h VAL 95 CO -0.09 0.11 -0.01 -0.25 0.02 0.00 0.00 177.57 177.35 3ias h TRP 96 N 0.58 -0.02 -0.20 1.57 7.01 -0.73 -3.32 115.95 120.84 3ias h TRP 96 Ca 0.31 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.37 3ias h TRP 96 Cb 0.46 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.45 3ias h TRP 96 CO -0.00 0.67 -0.37 0.93 -2.79 0.00 0.00 178.44 176.87 3ias h GLU 97 N -0.73 -0.39 -3.86 2.65 5.08 -1.01 -3.07 114.58 113.26 3ias h GLU 97 Ca -0.00 0.03 -0.70 0.00 -1.00 0.00 0.00 59.36 57.68 3ias h GLU 97 Cb 0.69 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3ias h GLU 97 CO 0.00 -0.26 3.24 1.04 -1.00 0.00 0.00 179.01 182.04 3ias n GLN 98 N -5.42 2.97 -4.08 2.33 6.02 -0.71 -4.80 117.38 113.69 3ias n GLN 98 Ca -0.03 -2.54 -0.09 0.00 -0.01 0.00 0.00 57.00 54.33 3ias n GLN 98 Cb 0.35 -3.22 -0.09 0.00 1.02 0.00 0.00 30.24 28.30 3ias n GLN 98 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3ias s MET 99 N 3.05 0.98 1.25 -1.09 1.75 -1.16 -4.91 119.30 119.17 3ias s MET 99 Ca 0.50 -1.34 -0.19 0.00 -1.25 0.00 0.00 55.69 53.42 3ias s MET 99 Cb 0.15 0.29 0.29 0.00 2.84 0.00 0.00 34.83 38.39 3ias s MET 99 CO -0.09 -0.31 0.65 -0.35 -0.65 0.00 0.00 175.02 174.28 3ias n PRO 100 N -0.12 -3.69 -0.02 4.11 -0.04 -1.26 -4.98 135.00 128.99 3ias n PRO 100 Ca -0.07 -1.09 -0.21 0.00 -0.04 0.00 0.00 63.50 62.09 3ias n PRO 100 Cb 0.63 -1.70 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 3ias n PRO 100 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3ias n ASP 101 N -3.66 2.10 -4.56 3.54 -0.08 -1.26 -4.55 116.55 108.07 3ias n ASP 101 Ca 0.10 0.14 -0.35 0.00 -1.51 0.00 0.00 54.79 53.17 3ias n ASP 101 Cb 0.46 -0.77 -0.04 0.00 2.34 0.00 0.00 41.12 43.11 3ias n ASP 101 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 3ias s PRO 102 N -2.55 3.00 0.09 -0.67 0.02 -1.26 -4.91 135.00 128.72 3ias s PRO 102 Ca -0.25 -0.40 -0.02 0.00 0.02 0.00 0.00 61.00 60.35 3ias s PRO 102 Cb 0.07 -4.91 -0.04 0.00 0.02 0.00 0.00 34.50 29.64 3ias s PRO 102 CO 0.73 -2.70 0.03 -1.59 -0.33 0.00 0.00 177.00 173.13 3ias s LYS 103 N 6.16 0.77 0.07 5.54 -2.85 -1.26 -4.72 119.74 123.45 3ias s LYS 103 Ca 0.56 -1.29 -0.08 0.00 -1.00 0.00 0.00 55.97 54.17 3ias s LYS 103 Cb -0.06 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 35.94 3ias s LYS 103 CO 0.02 -0.19 0.16 -1.58 0.10 0.00 0.00 175.35 173.86 3ias s TRP 104 N -3.97 0.19 -0.20 1.78 0.51 -1.26 -4.54 118.94 111.45 3ias s TRP 104 Ca 0.14 -0.60 -0.01 0.00 -2.12 0.00 0.00 56.10 53.51 3ias s TRP 104 Cb 0.07 -0.10 0.05 0.00 -0.81 0.00 0.00 33.47 32.68 3ias s TRP 104 CO -0.05 -0.49 -0.02 0.08 -0.51 0.00 0.00 176.95 175.95 3ias s VAL 105 N -3.60 1.06 0.18 4.03 1.01 -1.26 -1.18 120.40 120.64 3ias s VAL 105 Ca 0.03 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 3ias s VAL 105 Cb 0.04 -1.37 -0.07 0.00 0.00 0.00 0.00 36.38 34.98 3ias s VAL 105 CO -0.09 -0.05 0.54 -0.63 0.00 0.00 0.00 175.10 174.86 3ias s ILE 106 N 1.63 4.91 -0.17 2.22 1.01 -1.07 -0.71 121.20 129.02 3ias s ILE 106 Ca -0.02 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.28 3ias s ILE 106 Cb -0.17 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3ias s ILE 106 CO -0.07 0.12 -0.15 -0.94 0.00 0.00 0.00 174.94 173.89 3ias s SER 107 N -1.99 3.59 -0.35 3.58 1.04 -0.21 -1.78 113.70 117.58 3ias s SER 107 Ca 0.41 -0.51 -0.18 0.00 0.48 0.00 0.00 55.95 56.16 3ias s SER 107 Cb -0.13 -1.56 -0.00 0.00 0.10 0.00 0.00 66.02 64.42 3ias s SER 107 CO 0.20 0.05 0.48 -0.32 0.98 0.00 0.00 173.24 174.64 3ias s MET 108 N 1.00 3.58 0.30 4.02 1.75 0.32 -1.07 119.30 129.19 3ias s MET 108 Ca -0.02 -0.24 0.00 0.00 -1.25 0.00 0.00 55.69 54.18 3ias s MET 108 Cb -0.15 -3.82 0.00 0.00 2.84 0.00 0.00 34.83 33.70 3ias s MET 108 CO -0.03 -0.64 0.00 0.41 -0.65 0.00 0.00 175.02 174.11 3ias n GLY 109 N 4.84 -2.07 0.37 2.11 0.00 0.11 -3.71 105.19 106.85 3ias n GLY 109 Ca -0.06 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 3ias n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias h ALA 110 N -0.49 -0.61 -0.89 4.61 0.00 -1.65 0.19 119.26 120.42 3ias h ALA 110 Ca 0.01 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.93 3ias h ALA 110 Cb 0.43 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 3ias h ALA 110 CO 0.00 -0.91 0.55 0.00 0.00 0.00 0.00 179.25 178.90 3ias h ALA 112 N 1.43 -0.42 -0.02 0.00 0.00 -1.56 -3.40 119.26 115.29 3ias h ALA 112 Ca 0.39 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.25 3ias h ALA 112 Cb 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ias h ALA 112 CO -0.19 -0.40 -0.11 0.77 0.00 0.00 0.00 179.25 179.32 3ias h SER 113 N -0.58 -0.34 -2.60 0.00 0.02 -0.87 -2.61 113.55 106.56 3ias h SER 113 Ca -0.03 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3ias h SER 113 Cb 0.19 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3ias h SER 113 CO 0.04 -0.10 0.00 -1.54 -1.14 0.00 0.00 176.83 174.09 3ias n SER 114 N -3.13 0.40 0.00 3.07 3.41 0.57 -4.06 113.62 113.88 3ias n SER 114 Ca -0.01 -0.40 0.08 0.00 -0.26 0.00 0.00 58.87 58.27 3ias n SER 114 Cb 0.08 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.50 3ias n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ias n GLY 115 N 5.00 -0.62 7.00 5.00 0.00 0.49 -4.17 105.19 117.89 3ias n GLY 115 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3ias n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ias n GLY 116 N 0.22 2.01 0.87 -0.02 0.00 -0.97 -2.84 105.19 104.46 3ias n GLY 116 Ca 0.12 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.70 3ias n GLY 116 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3ias n MET 117 N 9.22 2.22 -3.65 1.61 0.00 -1.26 -4.71 117.12 120.55 3ias n MET 117 Ca 0.00 -2.01 -0.38 0.00 0.00 0.00 0.00 57.70 55.31 3ias n MET 117 Cb 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 33.22 31.76 3ias n MET 117 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3ias s PHE 118 N -1.19 3.51 -1.03 3.17 0.08 -1.13 -4.98 117.98 116.42 3ias s PHE 118 Ca 0.29 -2.64 -0.02 0.00 0.12 0.00 0.00 56.93 54.68 3ias s PHE 118 Cb 0.17 -3.30 0.31 0.00 -0.57 0.00 0.00 43.02 39.63 3ias s PHE 118 CO 0.23 -0.85 1.54 -1.71 -0.10 0.00 0.00 175.22 174.33 3ias n ASN 119 N 3.41 6.53 -0.96 1.36 2.85 -1.26 -4.77 115.26 122.42 3ias n ASN 119 Ca 0.10 -3.51 0.00 0.00 -0.11 0.00 0.00 54.58 51.06 3ias n ASN 119 Cb 0.39 -1.19 0.00 0.00 1.24 0.00 0.00 39.78 40.22 3ias n ASN 119 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 3ias n ASN 120 N 0.82 0.00 0.22 1.20 0.23 -1.26 -5.05 115.26 111.41 3ias n ASN 120 Ca 0.33 -0.96 0.06 0.00 -0.53 0.00 0.00 54.58 53.48 3ias n ASN 120 Cb 0.31 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.50 3ias n ASN 120 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 3ias h TYR 121 N 0.96 0.00 0.00 -2.53 -0.00 -2.04 -3.29 116.97 110.08 3ias h TYR 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3ias h TYR 121 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 3ias h TYR 121 CO 0.00 0.26 -0.16 0.00 -0.00 0.00 0.00 178.16 178.26 3ias n ALA 122 N -2.41 2.48 -2.71 0.10 0.00 -1.26 -4.85 120.51 111.86 3ias n ALA 122 Ca -0.02 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 3ias n ALA 122 Cb 0.33 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.28 3ias n ALA 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ias s ILE 123 N -3.10 0.66 0.13 0.00 1.01 -1.24 -2.86 121.20 115.80 3ias s ILE 123 Ca 0.10 -1.28 -0.28 0.00 0.00 0.00 0.00 60.65 59.19 3ias s ILE 123 Cb 0.13 -0.88 -0.07 0.00 0.01 0.00 0.00 42.46 41.66 3ias s ILE 123 CO 0.62 -0.45 0.89 -0.69 0.00 0.00 0.00 174.94 175.31 3ias s VAL 124 N -1.78 4.46 -1.74 2.92 1.01 -0.90 -4.72 120.40 119.65 3ias s VAL 124 Ca -0.05 1.93 0.27 0.00 0.00 0.00 0.00 61.98 64.13 3ias s VAL 124 Cb -0.07 -4.25 0.35 0.00 0.00 0.00 0.00 36.38 32.40 3ias s VAL 124 CO -0.00 0.39 1.68 0.00 0.00 0.00 0.00 175.10 177.17 3ias n GLN 125 N 2.40 0.81 -3.64 2.72 1.13 -1.26 -4.58 117.38 114.96 3ias n GLN 125 Ca -0.01 -0.42 -0.07 0.00 -1.94 0.00 0.00 57.00 54.57 3ias n GLN 125 Cb 0.49 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.28 3ias n GLN 125 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3ias s ASN 126 N -2.47 -0.74 0.59 1.08 3.84 -1.26 -0.38 114.94 115.60 3ias s ASN 126 Ca 0.26 1.23 0.39 0.00 0.21 0.00 0.00 52.86 54.95 3ias s ASN 126 Cb 0.20 1.29 1.93 0.00 -0.55 0.00 0.00 41.25 44.12 3ias s ASN 126 CO 0.50 -0.20 2.17 0.58 -2.79 0.00 0.00 177.10 177.35 3ias h VAL 127 N 4.75 0.00 0.00 -5.21 2.07 -1.61 0.10 116.25 116.36 3ias h VAL 127 Ca -0.29 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3ias h VAL 127 Cb 1.21 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3ias h VAL 127 CO 0.15 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 177.07 3ias n ASP 128 N -2.98 0.04 0.20 0.57 2.03 -1.22 -1.11 116.55 114.08 3ias n ASP 128 Ca -0.01 0.52 0.07 0.00 0.52 0.00 0.00 54.79 55.89 3ias n ASP 128 Cb 0.15 -0.52 0.32 0.00 -0.72 0.00 0.00 41.12 40.35 3ias n ASP 128 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3ias h SER 129 N 0.00 0.00 0.00 1.67 0.02 -1.20 -3.37 113.55 110.66 3ias h SER 129 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3ias h SER 129 Cb 0.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3ias h SER 129 CO 0.00 0.31 -1.04 1.33 -1.14 0.00 0.00 176.83 176.29 3ias n VAL 130 N -3.37 0.04 -4.22 2.27 0.24 -0.33 -5.06 118.33 107.91 3ias n VAL 130 Ca 0.01 -0.02 -0.17 0.00 -2.04 0.00 0.00 64.34 62.12 3ias n VAL 130 Cb 0.52 -0.64 -0.13 0.00 -1.47 0.00 0.00 33.84 32.12 3ias n VAL 130 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3ias s VAL 131 N -2.01 0.78 -0.03 3.34 -7.23 -0.26 -4.95 120.40 110.04 3ias s VAL 131 Ca -0.01 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.00 3ias s VAL 131 Cb 0.00 -0.74 -0.05 0.00 0.56 0.00 0.00 36.38 36.15 3ias s VAL 131 CO 0.02 -0.10 1.47 -2.84 -0.31 0.00 0.00 175.10 173.34 3ias s PRO 132 N -1.07 4.24 -0.15 4.82 0.02 -1.26 -3.39 135.00 138.22 3ias s PRO 132 Ca -0.02 2.02 -0.13 0.00 0.02 0.00 0.00 61.00 62.89 3ias s PRO 132 Cb -0.07 -3.69 -0.05 0.00 0.02 0.00 0.00 34.50 30.71 3ias s PRO 132 CO 0.01 -0.67 0.27 0.08 -0.33 0.00 0.00 177.00 176.35 3ias s VAL 133 N 2.93 5.32 -0.20 3.83 1.01 -1.26 -4.18 120.40 127.84 3ias s VAL 133 Ca 0.66 0.49 0.07 0.00 0.00 0.00 0.00 61.98 63.20 3ias s VAL 133 Cb -0.31 -3.60 -0.21 0.00 0.00 0.00 0.00 36.38 32.26 3ias s VAL 133 CO 0.26 0.43 0.03 0.47 0.00 0.00 0.00 175.10 176.30 3ias n ASP 134 N 3.28 1.28 -3.89 3.32 8.00 0.11 -4.93 116.55 123.72 3ias n ASP 134 Ca -0.13 0.01 -0.16 0.00 0.71 0.00 0.00 54.79 55.21 3ias n ASP 134 Cb 0.52 -0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.47 3ias n ASP 134 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ias s VAL 135 N -2.52 0.28 -0.03 2.53 1.01 -1.19 -4.98 120.40 115.49 3ias s VAL 135 Ca -0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 3ias s VAL 135 Cb 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3ias s VAL 135 CO 0.72 0.12 0.15 -0.31 0.00 0.00 0.00 175.10 175.77 3ias s TYR 136 N 0.36 3.49 -0.28 5.22 1.51 -1.26 -1.05 117.35 125.35 3ias s TYR 136 Ca -0.04 0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.38 3ias s TYR 136 Cb -0.07 -1.83 0.08 0.00 -0.11 0.00 0.00 41.96 40.04 3ias s TYR 136 CO -0.01 0.64 0.04 0.54 -1.11 0.00 0.00 175.55 175.66 3ias s VAL 137 N -1.23 1.25 0.79 0.71 0.11 -0.23 -4.92 120.40 116.88 3ias s VAL 137 Ca 0.24 -1.41 -0.12 0.00 -2.93 0.00 0.00 61.98 57.75 3ias s VAL 137 Cb -0.12 -1.80 0.07 0.00 -1.53 0.00 0.00 36.38 32.99 3ias s VAL 137 CO 0.15 -0.45 1.14 -2.16 -3.33 0.00 0.00 175.10 170.44 3ias s PRO 138 N 1.46 1.95 0.00 1.54 0.04 -1.26 0.08 135.00 138.81 3ias s PRO 138 Ca 0.04 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.53 3ias s PRO 138 Cb -0.18 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3ias s PRO 138 CO -0.15 -1.92 0.00 0.41 0.04 0.00 0.00 177.00 175.38 3ias n GLY 139 N -0.33 3.05 2.93 0.56 0.00 -1.26 -4.55 105.19 105.60 3ias n GLY 139 Ca 0.11 -1.92 -0.00 0.00 0.00 0.00 0.00 46.02 44.20 3ias n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ias s PRO 141 N 1.58 4.01 0.32 0.00 0.04 -1.26 -5.07 135.00 134.62 3ias s PRO 141 Ca 0.19 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 3ias s PRO 141 Cb 0.01 -2.27 -0.12 0.00 0.04 0.00 0.00 34.50 32.16 3ias s PRO 141 CO -0.09 -0.06 1.35 -0.35 0.04 0.00 0.00 177.00 177.89 3ias n PRO 142 N -0.98 2.18 -1.44 0.56 -0.04 -1.25 -4.90 135.00 129.12 3ias n PRO 142 Ca 0.05 0.77 -0.38 0.00 -0.04 0.00 0.00 63.50 63.90 3ias n PRO 142 Cb 0.54 -2.39 0.04 0.00 -0.04 0.00 0.00 33.50 31.65 3ias n PRO 142 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3ias n ARG 143 N 1.00 0.50 -0.11 0.54 0.63 -1.26 -4.81 116.66 113.16 3ias n ARG 143 Ca 0.06 0.20 -0.08 0.00 -0.92 0.00 0.00 57.85 57.11 3ias n ARG 143 Cb 0.35 -1.75 -0.00 0.00 0.45 0.00 0.00 32.46 31.51 3ias n ARG 143 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3ias h PRO 144 N 0.15 0.43 0.00 -0.14 0.11 -1.91 -1.11 132.00 129.53 3ias h PRO 144 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ias h PRO 144 Cb 1.39 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3ias h PRO 144 CO 0.46 0.28 0.07 0.93 -0.21 0.00 0.00 178.00 179.54 3ias h GLU 145 N 0.44 0.00 0.00 1.05 3.07 -1.94 0.12 114.58 117.32 3ias h GLU 145 Ca 0.14 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.82 3ias h GLU 145 Cb -0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 3ias h GLU 145 CO -0.06 0.00 -1.28 0.00 -1.40 0.00 0.00 179.01 176.28 3ias h ALA 146 N 1.83 0.65 -0.04 3.43 0.00 -1.54 -2.99 119.26 120.60 3ias h ALA 146 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 54.91 53.92 3ias h ALA 146 Cb 0.15 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ias h ALA 146 CO 0.00 0.99 -0.51 1.25 0.00 0.00 0.00 179.25 180.99 3ias h LEU 147 N 0.00 0.11 0.47 0.00 7.12 -0.45 -1.20 115.31 121.36 3ias h LEU 147 Ca -0.14 -0.06 -0.02 0.00 0.13 0.00 0.00 57.88 57.79 3ias h LEU 147 Cb 1.63 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.73 3ias h LEU 147 CO 0.06 0.60 -0.25 0.40 -0.13 0.00 0.00 178.44 179.12 3ias h ILE 148 N 0.08 0.00 -0.89 4.05 5.03 -1.48 -2.44 117.51 121.87 3ias h ILE 148 Ca 0.00 0.00 0.26 0.00 -0.12 0.00 0.00 64.86 65.00 3ias h ILE 148 Cb 0.92 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.68 3ias h ILE 148 CO 0.07 0.00 0.70 0.22 -0.68 0.00 0.00 178.15 178.46 3ias h TYR 149 N -0.66 0.00 -0.29 1.37 5.03 -1.48 -0.25 116.97 120.69 3ias h TYR 149 Ca -0.06 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.14 3ias h TYR 149 Cb 0.52 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.80 3ias h TYR 149 CO 0.05 0.00 -0.24 0.00 -1.32 0.00 0.00 178.16 176.65 3ias h ALA 150 N 1.44 0.41 0.00 1.82 0.00 -0.87 -2.05 119.26 120.02 3ias h ALA 150 Ca 0.42 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3ias h ALA 150 Cb 1.81 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 3ias h ALA 150 CO -0.00 0.39 -0.71 -0.39 0.00 0.00 0.00 179.25 178.54 3ias h VAL 151 N 0.41 1.50 -0.91 0.00 -1.51 -0.61 -2.20 116.25 112.93 3ias h VAL 151 Ca 0.05 -2.44 0.09 0.00 -1.23 0.00 0.00 66.70 63.17 3ias h VAL 151 Cb 0.80 2.32 -0.06 0.00 -2.13 0.00 0.00 31.29 32.22 3ias h VAL 151 CO 0.06 0.70 0.59 0.24 -1.23 0.00 0.00 177.57 177.92 3ias h MET 152 N 0.00 0.91 0.08 5.19 2.07 -1.10 1.04 114.93 123.12 3ias h MET 152 Ca -0.01 -0.05 -0.00 0.00 -2.07 0.00 0.00 59.70 57.56 3ias h MET 152 Cb 1.26 -0.21 0.00 0.00 -1.87 0.00 0.00 31.60 30.79 3ias h MET 152 CO 0.09 0.60 -0.04 0.37 1.07 0.00 0.00 176.91 179.01 3ias h GLN 153 N 0.94 -0.10 -0.34 1.72 5.75 -0.96 -0.48 115.11 121.64 3ias h GLN 153 Ca 0.41 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.99 3ias h GLN 153 Cb 0.35 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.84 3ias h GLN 153 CO -0.17 0.23 -0.27 1.25 -2.65 0.00 0.00 178.83 177.21 3ias h LEU 154 N -0.45 -0.89 -0.17 -2.39 5.85 -0.59 -2.32 115.31 114.37 3ias h LEU 154 Ca -0.01 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3ias h LEU 154 Cb 0.38 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3ias h LEU 154 CO 0.02 -0.29 -0.26 -0.61 -0.34 0.00 0.00 178.44 176.96 3ias h GLN 155 N -0.23 -0.19 -0.41 1.25 4.15 0.11 -1.14 115.11 118.65 3ias h GLN 155 Ca 0.17 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3ias h GLN 155 Cb 0.49 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.23 3ias h GLN 155 CO -0.47 -0.13 0.00 1.63 -1.93 0.00 0.00 178.83 177.93 3ias n LYS 156 N -3.93 0.50 0.00 1.69 5.02 -0.20 -1.90 118.16 119.34 3ias n LYS 156 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3ias n LYS 156 Cb 0.16 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3ias n LYS 156 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ias n LYS 157 N 0.12 2.78 0.27 1.97 4.81 -0.51 -3.33 118.16 124.26 3ias n LYS 157 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 3ias n LYS 157 Cb 0.10 -0.96 0.70 0.00 0.02 0.00 0.00 35.03 34.89 3ias n LYS 157 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 3ias h VAL 158 N 0.00 0.26 0.00 3.15 -1.51 -0.64 0.36 116.25 117.87 3ias h VAL 158 Ca 0.00 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 3ias h VAL 158 Cb 0.92 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 3ias h VAL 158 CO 0.00 0.08 0.00 0.03 -1.23 0.00 0.00 177.57 176.45 3ias h ARG 159 N 0.00 0.00 -1.34 5.19 3.08 -1.76 -3.43 114.38 116.11 3ias h ARG 159 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 3ias h ARG 159 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 3ias h ARG 159 CO 0.01 0.00 -0.23 0.41 -1.07 0.00 0.00 179.97 179.09 3ias n GLY 160 N -0.27 0.03 1.00 0.04 0.00 0.13 -4.85 105.19 101.27 3ias n GLY 160 Ca 0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 3ias n GLY 160 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ias n GLN 161 N -1.86 1.80 -3.85 1.61 7.27 -1.22 -4.84 117.38 116.28 3ias n GLN 161 Ca -0.10 -3.20 -0.13 0.00 0.07 0.00 0.00 57.00 53.64 3ias n GLN 161 Cb 0.57 -1.76 -0.15 0.00 2.41 0.00 0.00 30.24 31.31 3ias n GLN 161 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ias s ALA 162 N -3.23 0.05 0.26 1.69 0.00 -1.21 -4.83 121.76 114.49 3ias s ALA 162 Ca 0.43 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.53 3ias s ALA 162 Cb 0.39 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.36 3ias s ALA 162 CO -0.02 -0.04 -0.01 0.71 0.00 0.00 0.00 175.76 176.41 3ias s TYR 163 N 0.38 1.74 0.63 0.00 1.51 -1.26 -1.71 117.35 118.64 3ias s TYR 163 Ca -0.03 -0.87 0.01 0.00 -1.01 0.00 0.00 57.07 55.17 3ias s TYR 163 Cb -0.05 -1.03 0.12 0.00 -0.11 0.00 0.00 41.96 40.89 3ias s TYR 163 CO -0.01 0.06 0.86 0.27 -1.11 0.00 0.00 175.55 175.62 3ias n ASN 164 N -0.51 1.24 -0.29 2.29 0.23 -1.15 -4.92 115.26 112.14 3ias n ASN 164 Ca -0.05 -2.02 -0.03 0.00 -0.53 0.00 0.00 54.58 51.94 3ias n ASN 164 Cb 0.64 -0.55 0.12 0.00 -2.08 0.00 0.00 39.78 37.91 3ias n ASN 164 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3ias h GLU 165 N 0.00 1.16 -0.04 -3.83 4.39 -2.02 -0.44 114.58 113.79 3ias h GLU 165 Ca -0.29 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.27 3ias h GLU 165 Cb 1.07 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3ias h GLU 165 CO 0.31 0.87 0.04 0.00 -1.16 0.00 0.00 179.01 179.08 3ias h ARG 166 N 1.16 0.00 0.00 2.33 3.08 -2.07 -3.46 114.38 115.42 3ias h ARG 166 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3ias h ARG 166 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3ias h ARG 166 CO -0.04 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.27 3ias n GLY 167 N -1.38 1.47 3.88 0.04 0.00 -0.18 -5.11 105.19 103.92 3ias n GLY 167 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3ias n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ias s GLU 168 N -0.33 3.62 0.23 1.61 2.02 -1.26 -4.86 118.70 119.74 3ias s GLU 168 Ca 0.00 -0.01 -0.30 0.00 0.02 0.00 0.00 54.97 54.68 3ias s GLU 168 Cb 0.00 -3.07 -0.09 0.00 0.10 0.00 0.00 34.13 31.07 3ias s GLU 168 CO 0.00 0.64 1.29 0.50 0.02 0.00 0.00 175.26 177.70 3ias s ARG 169 N -1.75 4.41 -0.17 1.61 3.52 -1.26 -2.95 118.95 122.35 3ias s ARG 169 Ca 0.28 2.06 -0.06 0.00 -0.13 0.00 0.00 55.73 57.88 3ias s ARG 169 Cb -0.13 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 3ias s ARG 169 CO 0.16 -0.20 0.03 -0.51 -0.81 0.00 0.00 175.30 173.98 3ias s LEU 170 N -0.57 3.65 0.20 -0.88 1.43 -0.70 -4.98 118.68 116.83 3ias s LEU 170 Ca 0.54 0.03 -0.33 0.00 -1.03 0.00 0.00 54.13 53.34 3ias s LEU 170 Cb -0.37 -1.91 -0.13 0.00 0.03 0.00 0.00 46.19 43.81 3ias s LEU 170 CO 0.41 0.18 1.59 -0.81 0.23 0.00 0.00 176.35 177.95 3ias n PRO 171 N 3.49 2.35 -0.06 1.29 -0.04 -1.26 -4.72 135.00 136.04 3ias n PRO 171 Ca -0.17 0.84 -0.02 0.00 -0.04 0.00 0.00 63.50 64.11 3ias n PRO 171 Cb 0.52 -2.62 0.22 0.00 -0.04 0.00 0.00 33.50 31.59 3ias n PRO 171 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3ias h PRO 172 N 5.71 0.67 -6.14 0.54 0.11 -1.89 -3.43 132.00 127.58 3ias h PRO 172 Ca -0.45 -0.16 -0.67 0.00 0.11 0.00 0.00 66.00 64.83 3ias h PRO 172 Cb 1.24 -0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.12 3ias h PRO 172 CO 0.87 0.68 -0.65 0.08 -0.21 0.00 0.00 178.00 178.78 3ias s VAL 173 N -4.99 4.12 -1.01 3.15 1.01 -1.26 -4.58 120.40 116.84 3ias s VAL 173 Ca -0.09 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 3ias s VAL 173 Cb 0.15 -2.81 0.08 0.00 0.00 0.00 0.00 36.38 33.80 3ias s VAL 173 CO 0.79 0.43 1.36 0.00 0.00 0.00 0.00 175.10 177.67 3ias s ALA 174 N -1.03 2.97 0.00 5.51 0.00 -1.26 -5.13 121.76 122.82 3ias s ALA 174 Ca 0.18 -2.47 0.00 0.00 0.00 0.00 0.00 51.96 49.67 3ias s ALA 174 Cb -0.11 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.63 3ias s ALA 174 CO 0.08 -3.38 0.00 0.00 0.00 0.00 0.00 175.76 172.46