#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m9s h ARG 16 N 0.00 0.04 -0.71 3.49 1.12 -2.03 0.55 114.38 116.84 3m9s h ARG 16 Ca 0.00 -0.00 -0.44 0.00 -1.11 0.00 0.00 59.98 58.42 3m9s h ARG 16 Cb 0.00 -0.01 -0.26 0.00 -0.01 0.00 0.00 29.97 29.69 3m9s h ARG 16 CO 0.00 0.03 0.12 -1.91 -3.11 0.00 0.00 179.97 175.09 3m9s n GLU 17 N -4.27 2.50 -4.47 0.20 4.07 -1.26 -4.43 120.64 112.99 3m9s n GLU 17 Ca 0.38 -3.41 -0.34 0.00 -0.06 0.00 0.00 57.16 53.73 3m9s n GLU 17 Cb 1.63 -2.10 -0.10 0.00 -0.06 0.00 0.00 31.44 30.81 3m9s n GLU 17 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3m9s s GLY 18 N -2.40 1.78 0.25 8.31 0.00 0.19 -4.94 107.32 110.50 3m9s s GLY 18 Ca 0.53 -0.84 0.06 0.00 0.00 0.00 0.00 44.72 44.47 3m9s s GLY 18 CO 0.02 -0.54 1.20 4.51 0.00 0.00 0.00 173.10 178.29 3m9s n ILE 19 N 2.36 -0.32 0.12 0.90 3.06 -1.26 -0.76 119.36 123.47 3m9s n ILE 19 Ca -0.18 1.64 -0.05 0.00 -2.50 0.00 0.00 62.75 61.66 3m9s n ILE 19 Cb 0.53 -2.47 -0.03 0.00 0.54 0.00 0.00 39.64 38.21 3m9s n ILE 19 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 3m9s h LEU 20 N 0.00 -0.32 -0.08 9.51 5.85 -1.94 0.63 115.31 128.96 3m9s h LEU 20 Ca 0.52 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.26 3m9s h LEU 20 Cb 1.18 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3m9s h LEU 20 CO -0.68 -0.21 -0.14 0.15 -0.34 0.00 0.00 178.44 177.22 3m9s h PHE 21 N -0.34 -0.43 -0.96 1.25 3.57 -1.20 -1.67 116.94 117.16 3m9s h PHE 21 Ca -0.03 0.02 0.29 0.00 3.53 0.00 0.00 57.97 61.78 3m9s h PHE 21 Cb 0.26 0.20 -0.18 0.00 2.79 0.00 0.00 35.95 39.02 3m9s h PHE 21 CO 0.09 -0.13 0.12 2.41 -2.23 0.00 0.00 178.31 178.57 3m9s n THR 22 N -3.35 -0.40 1.16 4.41 -1.04 -0.81 0.64 114.28 114.88 3m9s n THR 22 Ca -0.01 2.09 0.12 0.00 -2.04 0.00 0.00 64.05 64.21 3m9s n THR 22 Cb 0.09 -3.12 0.62 0.00 -1.82 0.00 0.00 70.33 66.10 3m9s n THR 22 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3m9s n THR 23 N -5.38 0.22 -0.08 12.58 -1.04 0.21 -1.27 114.28 119.51 3m9s n THR 23 Ca 0.25 0.05 -0.12 0.00 -2.04 0.00 0.00 64.05 62.20 3m9s n THR 23 Cb 0.84 -0.65 -0.06 0.00 -1.82 0.00 0.00 70.33 68.64 3m9s n THR 23 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3m9s h LEU 24 N 0.00 0.00 -1.24 -4.42 4.07 0.96 -3.26 115.31 111.42 3m9s h LEU 24 Ca 0.00 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.67 3m9s h LEU 24 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 3m9s h LEU 24 CO 0.00 1.05 0.00 -1.84 -1.08 0.00 0.00 178.44 176.57 3m9s n GLU 25 N -4.56 0.13 0.06 1.13 0.28 -0.69 0.57 120.64 117.56 3m9s n GLU 25 Ca -0.17 0.61 0.02 0.00 -0.16 0.00 0.00 57.16 57.46 3m9s n GLU 25 Cb 0.42 -1.91 -0.05 0.00 1.43 0.00 0.00 31.44 31.34 3m9s n GLU 25 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3m9s h LYS 26 N 0.00 0.00 0.03 3.44 1.57 -1.35 -2.91 116.57 117.34 3m9s h LYS 26 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3m9s h LYS 26 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3m9s h LYS 26 CO 0.00 0.31 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.10 3m9s h LEU 27 N 0.00 -0.04 -0.69 2.94 4.07 0.09 -2.76 115.31 118.92 3m9s h LEU 27 Ca -0.11 -0.67 0.14 0.00 0.08 0.00 0.00 57.88 57.31 3m9s h LEU 27 Cb 1.49 0.01 -0.10 0.00 1.08 0.00 0.00 40.66 43.14 3m9s h LEU 27 CO 0.05 0.72 0.19 0.58 -1.08 0.00 0.00 178.44 178.89 3m9s h VAL 28 N -0.86 0.59 0.18 1.22 2.07 -0.28 0.15 116.25 119.32 3m9s h VAL 28 Ca -0.00 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3m9s h VAL 28 Cb 0.71 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3m9s h VAL 28 CO 0.01 0.06 -0.08 0.00 0.02 0.00 0.00 177.57 177.57 3m9s h ALA 29 N 1.55 -0.24 -0.17 1.67 0.00 -1.61 -0.53 119.26 119.94 3m9s h ALA 29 Ca 0.38 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.24 3m9s h ALA 29 Cb 0.60 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3m9s h ALA 29 CO -0.45 -0.57 0.15 2.35 0.00 0.00 0.00 179.25 180.73 3m9s h TRP 30 N -0.36 0.00 0.22 0.00 2.91 -1.26 0.28 115.95 117.74 3m9s h TRP 30 Ca -0.02 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 3m9s h TRP 30 Cb 0.28 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.93 3m9s h TRP 30 CO -0.03 0.00 -0.10 0.78 -1.03 0.00 0.00 178.44 178.06 3m9s h GLY 31 N 0.00 -0.31 -0.15 2.65 0.00 0.27 -3.16 103.07 102.37 3m9s h GLY 31 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3m9s h GLY 31 CO -0.00 -0.11 0.00 -0.96 0.00 0.00 0.00 176.54 175.47 3m9s n ARG 32 N -3.01 0.94 0.13 4.80 1.85 -0.30 -1.88 116.66 119.19 3m9s n ARG 32 Ca -0.04 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.94 3m9s n ARG 32 Cb 0.12 -1.07 0.44 0.00 -1.05 0.00 0.00 32.46 30.89 3m9s n ARG 32 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3m9s h SER 33 N 0.01 0.00 0.00 2.89 0.87 -0.40 -3.29 113.55 113.63 3m9s h SER 33 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3m9s h SER 33 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3m9s h SER 33 CO 0.00 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.89 3m9s n ASN 34 N -2.34 0.01 -2.04 6.23 4.13 -0.79 -4.57 115.26 115.90 3m9s n ASN 34 Ca 0.04 -0.48 -0.10 0.00 1.68 0.00 0.00 54.58 55.72 3m9s n ASN 34 Cb 0.36 0.93 0.27 0.00 -1.54 0.00 0.00 39.78 39.79 3m9s n ASN 34 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3m9s n SER 35 N -0.93 4.52 -4.71 6.41 3.41 -1.18 -4.95 113.62 116.19 3m9s n SER 35 Ca 0.00 -3.27 -0.42 0.00 -0.26 0.00 0.00 58.87 54.92 3m9s n SER 35 Cb 0.00 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.16 3m9s n SER 35 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3m9s s LEU 36 N -2.94 4.36 -0.55 1.04 1.43 -1.24 -4.93 118.68 115.85 3m9s s LEU 36 Ca 0.54 2.37 0.04 0.00 -1.03 0.00 0.00 54.13 56.05 3m9s s LEU 36 Cb 0.43 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 43.21 3m9s s LEU 36 CO 0.13 -0.73 0.29 0.86 0.23 0.00 0.00 176.35 177.13 3m9s s TRP 37 N 1.54 3.24 0.32 0.29 -0.00 -1.21 -5.03 118.94 118.09 3m9s s TRP 37 Ca 0.67 -3.20 -0.29 0.00 -0.00 0.00 0.00 56.10 53.27 3m9s s TRP 37 Cb -0.38 -2.80 -0.12 0.00 -0.00 0.00 0.00 33.47 30.18 3m9s s TRP 37 CO 0.30 -0.71 1.54 -2.30 -0.00 0.00 0.00 176.95 175.78 3m9s n PRO 38 N 2.93 2.65 -3.82 5.86 -0.02 -1.24 -2.92 135.00 138.44 3m9s n PRO 38 Ca 0.07 0.94 -0.29 0.00 -2.02 0.00 0.00 63.50 62.20 3m9s n PRO 38 Cb 0.32 -2.69 -0.13 0.00 -0.02 0.00 0.00 33.50 30.98 3m9s n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m9s s ALA 39 N -0.44 2.86 0.63 3.55 0.00 -0.75 -4.95 121.76 122.66 3m9s s ALA 39 Ca 0.60 -3.07 -0.18 0.00 0.00 0.00 0.00 51.96 49.31 3m9s s ALA 39 Cb -0.50 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 3m9s s ALA 39 CO 0.54 -2.05 1.15 -2.37 0.00 0.00 0.00 175.76 173.03 3m9s n THR 40 N 3.07 4.44 -3.19 0.00 5.66 -1.26 -2.94 114.28 120.05 3m9s n THR 40 Ca 0.10 -0.50 -0.23 0.00 -3.05 0.00 0.00 64.05 60.37 3m9s n THR 40 Cb 0.34 -1.34 -0.06 0.00 -1.55 0.00 0.00 70.33 67.72 3m9s n THR 40 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3m9s n PHE 41 N -1.86 -0.15 -1.84 1.09 7.35 0.07 -4.83 117.46 117.28 3m9s n PHE 41 Ca 0.15 -3.63 -0.41 0.00 -0.76 0.00 0.00 57.45 52.81 3m9s n PHE 41 Cb 0.48 -0.37 -0.00 0.00 0.35 0.00 0.00 39.48 39.94 3m9s n PHE 41 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3m9s s GLY 42 N -1.46 2.95 0.00 7.13 0.00 -1.26 -2.77 107.32 111.92 3m9s s GLY 42 Ca 0.36 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.62 3m9s s GLY 42 CO -0.10 2.22 0.00 1.04 0.00 0.00 0.00 173.10 176.25 3m9s n LEU 43 N 0.50 0.00 0.00 0.66 4.77 0.07 -4.92 117.00 118.07 3m9s n LEU 43 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3m9s n LEU 43 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3m9s n LEU 43 CO 0.63 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.69 3m9s n ALA 44 N -3.00 0.00 -0.18 -1.18 0.00 -1.25 -4.68 120.51 110.22 3m9s n ALA 44 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3m9s n ALA 44 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 3m9s n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m9s h ALA 47 N 1.73 1.57 0.00 0.00 0.00 0.99 -2.27 119.26 121.28 3m9s h ALA 47 Ca 0.11 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3m9s h ALA 47 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3m9s h ALA 47 CO -0.01 0.18 -0.98 0.82 0.00 0.00 0.00 179.25 179.26 3m9s h ILE 48 N 0.95 1.16 0.00 0.00 2.04 -1.68 -3.10 117.51 116.88 3m9s h ILE 48 Ca 0.49 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 63.61 3m9s h ILE 48 Cb 0.53 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 3m9s h ILE 48 CO -0.26 0.66 -0.03 1.21 0.00 0.00 0.00 178.15 179.73 3m9s n GLU 49 N -3.21 0.17 0.02 2.37 4.07 -0.90 -2.64 120.64 120.52 3m9s n GLU 49 Ca -0.03 0.13 -0.04 0.00 -0.06 0.00 0.00 57.16 57.17 3m9s n GLU 49 Cb 0.87 -1.69 -0.10 0.00 -0.06 0.00 0.00 31.44 30.47 3m9s n GLU 49 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 3m9s h MET 50 N 0.00 0.00 -1.08 5.31 4.05 -1.46 -3.32 114.93 118.43 3m9s h MET 50 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3m9s h MET 50 Cb 0.65 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 3m9s h MET 50 CO 0.00 0.44 0.00 -1.33 0.23 0.00 0.00 176.91 176.25 3m9s n MET 51 N -3.01 0.90 0.00 0.39 2.81 -1.08 -1.24 117.12 115.89 3m9s n MET 51 Ca -0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 3m9s n MET 51 Cb 0.92 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 32.33 3m9s n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3m9s n ALA 52 N 0.49 1.19 -0.05 3.04 0.00 -1.25 -4.40 120.51 119.53 3m9s n ALA 52 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3m9s n ALA 52 Cb 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.74 3m9s n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3m9s n SER 53 N -0.65 0.89 0.12 0.00 3.41 -0.37 -3.83 113.62 113.19 3m9s n SER 53 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 3m9s n SER 53 Cb 0.00 1.32 0.12 0.00 -0.26 0.00 0.00 64.21 65.39 3m9s n SER 53 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3m9s h THR 54 N 0.00 1.47 0.00 6.66 2.02 -1.63 -3.18 112.91 118.25 3m9s h THR 54 Ca -0.25 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.58 3m9s h THR 54 Cb 1.49 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 70.18 3m9s h THR 54 CO 0.01 0.67 -0.27 0.47 0.37 0.00 0.00 175.52 176.77 3m9s n ASP 55 N -3.69 0.34 0.01 4.18 9.92 -1.26 -4.03 116.55 122.03 3m9s n ASP 55 Ca -0.01 0.17 -0.03 0.00 -0.53 0.00 0.00 54.79 54.39 3m9s n ASP 55 Cb 0.68 -0.16 -0.10 0.00 -0.64 0.00 0.00 41.12 40.90 3m9s n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3m9s h ALA 56 N 2.90 0.70 -3.00 2.24 0.00 -1.65 -3.50 119.26 116.95 3m9s h ALA 56 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.84 3m9s h ALA 56 Cb 0.55 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3m9s h ALA 56 CO 0.00 1.16 0.00 2.89 0.00 0.00 0.00 179.25 183.30 3m9s n ARG 57 N -2.96 0.00 0.00 0.00 -4.01 -1.25 -5.11 116.66 103.33 3m9s n ARG 57 Ca -0.12 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.69 3m9s n ARG 57 Cb 0.92 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.34 3m9s n ARG 57 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 3m9s n GLN 74 N 0.00 0.00 -4.34 2.89 1.13 -1.26 -5.13 117.38 110.67 3m9s n GLN 74 Ca 0.00 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.87 3m9s n GLN 74 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.21 3m9s n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3m9s s ALA 75 N 0.00 0.89 0.06 -1.58 0.00 -1.26 -4.96 121.76 114.91 3m9s s ALA 75 Ca 0.00 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.41 3m9s s ALA 75 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3m9s s ALA 75 CO 0.00 0.18 -0.05 0.16 0.00 0.00 0.00 175.76 176.05 3m9s s ASP 76 N -0.71 4.72 0.00 0.00 -4.77 -1.15 -4.55 116.67 110.22 3m9s s ASP 76 Ca 0.01 -0.22 0.00 0.00 -3.30 0.00 0.00 52.55 49.04 3m9s s ASP 76 Cb -0.06 -1.06 0.00 0.00 -1.09 0.00 0.00 42.92 40.71 3m9s s ASP 76 CO 0.00 0.21 0.00 0.52 0.70 0.00 0.00 175.17 176.61 3m9s n VAL 77 N 0.95 -0.76 -2.60 2.11 0.31 -1.20 -3.28 118.33 113.86 3m9s n VAL 77 Ca -0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.78 3m9s n VAL 77 Cb 0.52 -2.15 -0.03 0.00 -0.91 0.00 0.00 33.84 31.28 3m9s n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m9s s MET 78 N -2.14 4.45 -0.33 5.55 0.23 -0.60 -1.81 119.30 124.64 3m9s s MET 78 Ca 0.00 1.52 -0.13 0.00 -1.03 0.00 0.00 55.69 56.05 3m9s s MET 78 Cb 0.00 -3.49 -0.02 0.00 -1.53 0.00 0.00 34.83 29.79 3m9s s MET 78 CO 0.00 -0.25 0.26 0.42 -2.03 0.00 0.00 175.02 173.42 3m9s s ILE 79 N 1.59 5.26 -0.36 3.16 1.01 -1.15 -1.33 121.20 129.39 3m9s s ILE 79 Ca 0.53 -0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.88 3m9s s ILE 79 Cb -0.22 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3m9s s ILE 79 CO 0.24 0.02 0.79 -0.69 0.00 0.00 0.00 174.94 175.30 3m9s s VAL 80 N 1.81 4.73 -0.61 2.92 1.01 0.46 -0.75 120.40 129.96 3m9s s VAL 80 Ca 0.08 0.91 0.04 0.00 0.00 0.00 0.00 61.98 63.01 3m9s s VAL 80 Cb -0.17 -4.21 0.16 0.00 0.00 0.00 0.00 36.38 32.16 3m9s s VAL 80 CO 0.11 -0.43 0.43 0.00 0.00 0.00 0.00 175.10 175.20 3m9s s ALA 81 N 3.11 3.20 0.00 5.51 0.00 -1.11 0.23 121.76 132.70 3m9s s ALA 81 Ca 0.32 -3.44 0.00 0.00 0.00 0.00 0.00 51.96 48.84 3m9s s ALA 81 Cb -0.13 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.95 3m9s s ALA 81 CO 0.17 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.27 3m9s n GLY 82 N 2.35 2.23 3.67 0.00 0.00 -1.25 -0.75 105.19 111.43 3m9s n GLY 82 Ca 0.19 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 3m9s n GLY 82 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3m9s n ARG 83 N -1.89 2.72 -3.07 1.61 0.00 -1.26 -4.01 116.66 110.77 3m9s n ARG 83 Ca 0.00 1.00 -0.43 0.00 -0.00 0.00 0.00 57.85 58.42 3m9s n ARG 83 Cb 0.00 -2.93 -0.06 0.00 -0.00 0.00 0.00 32.46 29.47 3m9s n ARG 83 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3m9s s LEU 84 N 4.28 4.59 0.83 2.89 1.98 -1.26 -4.67 118.68 127.32 3m9s s LEU 84 Ca 0.89 -0.55 -0.10 0.00 -2.89 0.00 0.00 54.13 51.48 3m9s s LEU 84 Cb -0.49 -2.65 0.09 0.00 0.66 0.00 0.00 46.19 43.80 3m9s s LEU 84 CO 0.44 -0.92 1.11 -0.55 -1.89 0.00 0.00 176.35 174.54 3m9s s SER 85 N 2.44 3.89 0.28 3.68 0.15 -1.26 -2.43 113.70 120.45 3m9s s SER 85 Ca 0.21 1.92 0.13 0.00 0.70 0.00 0.00 55.95 58.91 3m9s s SER 85 Cb -0.16 -2.52 0.32 0.00 -1.71 0.00 0.00 66.02 61.96 3m9s s SER 85 CO 0.16 -2.44 1.57 0.11 1.20 0.00 0.00 173.24 173.84 3m9s h LYS 86 N -1.41 0.00 -0.24 5.44 1.57 -1.83 -1.39 116.57 118.71 3m9s h LYS 86 Ca -0.44 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.14 3m9s h LYS 86 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3m9s h LYS 86 CO 0.48 0.60 -0.64 -0.22 -0.57 0.00 0.00 179.45 179.10 3m9s h LYS 87 N 0.00 0.85 0.00 3.15 3.64 -1.92 -3.19 116.57 119.10 3m9s h LYS 87 Ca -0.01 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 3m9s h LYS 87 Cb 1.19 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3m9s h LYS 87 CO 0.08 1.22 0.00 1.98 -2.27 0.00 0.00 179.45 180.46 3m9s h MET 88 N 0.62 0.00 0.47 1.90 4.05 -1.90 -3.38 114.93 116.70 3m9s h MET 88 Ca -0.01 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 3m9s h MET 88 Cb 1.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 3m9s h MET 88 CO 0.14 0.00 -0.23 0.00 0.23 0.00 0.00 176.91 177.05 3m9s h ALA 89 N 2.04 -0.64 -0.44 0.39 0.00 -1.24 -2.70 119.26 116.68 3m9s h ALA 89 Ca 0.00 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.89 3m9s h ALA 89 Cb 0.64 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3m9s h ALA 89 CO 0.00 -0.84 0.35 -1.00 0.00 0.00 0.00 179.25 177.76 3m9s h PRO 90 N -0.68 0.00 0.60 0.00 0.13 -1.77 -1.24 132.00 129.05 3m9s h PRO 90 Ca -0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 3m9s h PRO 90 Cb 0.51 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.64 3m9s h PRO 90 CO 0.11 0.00 -0.29 0.28 -0.23 0.00 0.00 178.00 177.87 3m9s h VAL 91 N 0.00 0.00 -0.10 1.56 2.07 -1.72 -2.94 116.25 115.13 3m9s h VAL 91 Ca 0.21 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.51 3m9s h VAL 91 Cb 0.90 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3m9s h VAL 91 CO -0.00 0.00 0.32 -0.03 0.02 0.00 0.00 177.57 177.88 3m9s h MET 92 N -1.06 0.00 0.94 1.57 1.85 -1.16 -0.76 114.93 116.30 3m9s h MET 92 Ca -0.08 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 58.96 3m9s h MET 92 Cb 0.62 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.66 3m9s h MET 92 CO 0.14 0.00 -0.46 -0.09 -0.40 0.00 0.00 176.91 176.09 3m9s h ARG 93 N 0.00 -1.23 -0.74 0.39 9.65 -1.10 -2.49 114.38 118.86 3m9s h ARG 93 Ca 0.05 0.08 0.03 0.00 -1.10 0.00 0.00 59.98 59.04 3m9s h ARG 93 Cb 0.69 0.28 -0.04 0.00 -1.39 0.00 0.00 29.97 29.50 3m9s h ARG 93 CO -0.00 -0.82 0.47 0.00 2.80 0.00 0.00 179.97 182.42 3m9s h ARG 94 N -1.28 0.89 -0.93 0.20 3.08 -0.99 -1.26 114.38 114.10 3m9s h ARG 94 Ca -0.13 -0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.04 3m9s h ARG 94 Cb 0.98 -0.20 -0.10 0.00 0.08 0.00 0.00 29.97 30.73 3m9s h ARG 94 CO 0.20 0.59 0.52 0.28 -1.07 0.00 0.00 179.97 180.50 3m9s h VAL 95 N 0.92 0.70 0.02 2.04 2.07 -1.42 -1.14 116.25 119.43 3m9s h VAL 95 Ca 0.29 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 3m9s h VAL 95 Cb 0.00 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 3m9s h VAL 95 CO -0.11 0.12 -0.01 -0.25 0.02 0.00 0.00 177.57 177.35 3m9s h TRP 96 N 0.68 -0.03 -0.32 1.57 7.01 -0.94 -3.32 115.95 120.61 3m9s h TRP 96 Ca 0.53 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.60 3m9s h TRP 96 Cb 0.81 0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 27.81 3m9s h TRP 96 CO -0.05 0.68 -0.19 0.93 -2.79 0.00 0.00 178.44 177.01 3m9s h GLU 97 N -0.78 -0.15 -2.42 2.65 5.08 -1.00 -3.14 114.58 114.81 3m9s h GLU 97 Ca -0.00 0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 58.02 3m9s h GLU 97 Cb 0.71 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 3m9s h GLU 97 CO 0.00 -0.10 1.18 1.04 -1.00 0.00 0.00 179.01 180.13 3m9s n GLN 98 N -5.36 2.51 -4.42 2.33 6.02 -0.45 -4.81 117.38 113.19 3m9s n GLN 98 Ca 0.01 -1.39 -0.21 0.00 -0.01 0.00 0.00 57.00 55.40 3m9s n GLN 98 Cb 0.27 -2.27 -0.10 0.00 1.02 0.00 0.00 30.24 29.16 3m9s n GLN 98 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3m9s s MET 99 N 1.55 1.57 0.07 -1.09 1.75 -1.19 -4.97 119.30 117.00 3m9s s MET 99 Ca 0.65 -1.85 -0.01 0.00 -1.25 0.00 0.00 55.69 53.23 3m9s s MET 99 Cb 0.25 -0.89 0.02 0.00 2.84 0.00 0.00 34.83 37.05 3m9s s MET 99 CO -0.02 -0.12 0.05 -0.35 -0.65 0.00 0.00 175.02 173.92 3m9s n PRO 100 N -0.62 -1.92 -0.08 4.11 -0.04 -1.26 -5.04 135.00 130.15 3m9s n PRO 100 Ca -0.03 -0.08 -0.17 0.00 -0.04 0.00 0.00 63.50 63.18 3m9s n PRO 100 Cb 0.65 -0.09 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 3m9s n PRO 100 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3m9s n ASP 101 N -3.13 1.30 -4.55 3.54 -0.08 -1.26 -4.68 116.55 107.68 3m9s n ASP 101 Ca 0.01 0.22 -0.37 0.00 -1.51 0.00 0.00 54.79 53.14 3m9s n ASP 101 Cb 0.03 -0.53 -0.03 0.00 2.34 0.00 0.00 41.12 42.93 3m9s n ASP 101 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 3m9s s PRO 102 N -2.36 2.28 0.02 -0.67 0.02 -1.26 -4.86 135.00 128.18 3m9s s PRO 102 Ca -0.23 1.26 -0.07 0.00 0.02 0.00 0.00 61.00 61.98 3m9s s PRO 102 Cb 0.08 -4.52 -0.00 0.00 0.02 0.00 0.00 34.50 30.07 3m9s s PRO 102 CO 0.30 -3.08 0.12 -1.59 -0.33 0.00 0.00 177.00 172.42 3m9s s LYS 103 N 7.86 0.56 0.05 5.54 -2.85 -1.26 -4.82 119.74 124.81 3m9s s LYS 103 Ca 0.90 -0.59 0.02 0.00 -1.00 0.00 0.00 55.97 55.30 3m9s s LYS 103 Cb -0.17 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.80 3m9s s LYS 103 CO 0.25 -0.14 -0.06 -1.58 0.10 0.00 0.00 175.35 173.92 3m9s s TRP 104 N -2.10 0.62 -0.09 1.78 0.51 -1.26 -4.56 118.94 113.84 3m9s s TRP 104 Ca -0.09 -0.59 0.03 0.00 -2.12 0.00 0.00 56.10 53.33 3m9s s TRP 104 Cb -0.04 -0.38 -0.01 0.00 -0.81 0.00 0.00 33.47 32.23 3m9s s TRP 104 CO -0.02 -0.13 -0.20 0.08 -0.51 0.00 0.00 176.95 176.17 3m9s s VAL 105 N -1.84 2.46 -0.10 4.03 1.01 -1.26 -1.56 120.40 123.13 3m9s s VAL 105 Ca -0.07 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 3m9s s VAL 105 Cb -0.07 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3m9s s VAL 105 CO -0.01 0.56 -0.01 -0.63 0.00 0.00 0.00 175.10 175.00 3m9s s ILE 106 N 0.09 4.18 -0.18 2.22 1.01 -0.44 -1.06 121.20 127.03 3m9s s ILE 106 Ca -0.09 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 3m9s s ILE 106 Cb -0.15 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 3m9s s ILE 106 CO 0.06 0.57 -0.00 -0.94 0.00 0.00 0.00 174.94 174.63 3m9s s SER 107 N -0.55 5.02 -0.35 3.58 1.04 -0.70 -0.40 113.70 121.34 3m9s s SER 107 Ca 0.09 -0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.31 3m9s s SER 107 Cb -0.12 -1.84 -0.00 0.00 0.10 0.00 0.00 66.02 64.16 3m9s s SER 107 CO 0.02 0.14 0.22 -0.32 0.98 0.00 0.00 173.24 174.28 3m9s s MET 108 N 0.55 3.27 0.20 4.02 1.75 0.14 -1.26 119.30 127.97 3m9s s MET 108 Ca -0.01 -0.79 0.00 0.00 -1.25 0.00 0.00 55.69 53.64 3m9s s MET 108 Cb -0.14 -3.75 0.00 0.00 2.84 0.00 0.00 34.83 33.78 3m9s s MET 108 CO 0.02 -0.52 0.00 0.41 -0.65 0.00 0.00 175.02 174.28 3m9s n GLY 109 N 5.06 -1.87 0.23 2.11 0.00 0.16 -3.95 105.19 106.92 3m9s n GLY 109 Ca -0.13 -1.33 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 3m9s n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m9s h ALA 110 N -0.69 0.27 -0.06 4.61 0.00 -1.39 -2.25 119.26 119.76 3m9s h ALA 110 Ca -0.01 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3m9s h ALA 110 Cb 0.67 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3m9s h ALA 110 CO 0.01 -0.48 -0.18 0.00 0.00 0.00 0.00 179.25 178.61 3m9s h ALA 112 N 1.73 0.02 -0.11 0.00 0.00 -1.65 -3.40 119.26 115.86 3m9s h ALA 112 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3m9s h ALA 112 Cb 0.37 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3m9s h ALA 112 CO 0.03 0.08 0.00 0.43 0.00 0.00 0.00 179.25 179.79 3m9s n SER 113 N -4.65 0.00 -1.16 0.00 7.64 -0.86 -1.47 113.62 113.11 3m9s n SER 113 Ca -0.08 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.78 3m9s n SER 113 Cb 0.32 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 3m9s n SER 113 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3m9s n SER 114 N -2.36 0.26 0.00 6.43 3.41 -0.35 -4.29 113.62 116.71 3m9s n SER 114 Ca 0.00 -0.58 0.12 0.00 -0.26 0.00 0.00 58.87 58.15 3m9s n SER 114 Cb 0.00 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 64.63 3m9s n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m9s n GLY 115 N 5.00 -0.85 7.00 5.00 0.00 -0.45 -4.12 105.19 116.77 3m9s n GLY 115 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3m9s n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m9s n GLY 116 N 0.57 -0.33 0.00 -0.02 0.00 -1.14 -2.89 105.19 101.37 3m9s n GLY 116 Ca 0.16 -1.06 0.10 0.00 0.00 0.00 0.00 46.02 45.22 3m9s n GLY 116 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3m9s n MET 117 N 0.00 0.43 -3.41 1.61 0.00 -1.26 -4.47 117.12 110.02 3m9s n MET 117 Ca 0.00 0.06 -0.44 0.00 0.00 0.00 0.00 57.70 57.32 3m9s n MET 117 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 31.69 3m9s n MET 117 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3m9s s PHE 118 N -2.34 3.88 -0.63 3.17 0.08 -1.14 -4.99 117.98 116.01 3m9s s PHE 118 Ca 0.24 -2.39 -0.07 0.00 0.12 0.00 0.00 56.93 54.82 3m9s s PHE 118 Cb 0.14 -3.69 0.16 0.00 -0.57 0.00 0.00 43.02 39.06 3m9s s PHE 118 CO 0.27 -0.93 0.50 1.21 -0.10 0.00 0.00 175.22 176.16 3m9s s ASN 119 N 1.50 5.76 0.08 1.36 3.84 -1.26 -4.77 114.94 121.45 3m9s s ASN 119 Ca 0.23 -2.54 -0.16 0.00 0.21 0.00 0.00 52.86 50.59 3m9s s ASN 119 Cb -0.11 -1.99 0.06 0.00 -0.55 0.00 0.00 41.25 38.66 3m9s s ASN 119 CO -0.08 -0.51 0.76 -0.46 -2.79 0.00 0.00 177.10 174.01 3m9s n ASN 120 N 4.02 -1.06 0.28 -4.21 0.23 -1.26 -5.04 115.26 108.22 3m9s n ASN 120 Ca 0.05 -1.47 0.18 0.00 -0.53 0.00 0.00 54.58 52.81 3m9s n ASN 120 Cb 0.41 1.70 0.95 0.00 -2.08 0.00 0.00 39.78 40.76 3m9s n ASN 120 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 3m9s h TYR 121 N 1.67 0.00 -0.01 -2.53 -0.00 -2.05 -3.20 116.97 110.85 3m9s h TYR 121 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.56 3m9s h TYR 121 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.54 3m9s h TYR 121 CO 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 178.16 177.54 3m9s n ALA 122 N -2.20 3.85 -3.08 0.10 0.00 -1.26 -4.93 120.51 112.99 3m9s n ALA 122 Ca -0.01 -0.56 -0.26 0.00 0.00 0.00 0.00 53.44 52.61 3m9s n ALA 122 Cb 0.22 -0.68 -0.16 0.00 0.00 0.00 0.00 19.45 18.82 3m9s n ALA 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3m9s s ILE 123 N -2.46 1.33 0.22 0.00 1.01 -1.21 -2.36 121.20 117.73 3m9s s ILE 123 Ca 0.12 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 3m9s s ILE 123 Cb 0.15 -1.17 -0.10 0.00 0.01 0.00 0.00 42.46 41.36 3m9s s ILE 123 CO 0.62 0.39 1.45 -0.69 0.00 0.00 0.00 174.94 176.71 3m9s s VAL 124 N 0.23 2.75 -2.02 2.92 1.01 -1.02 -4.71 120.40 119.56 3m9s s VAL 124 Ca -0.07 0.60 0.12 0.00 0.00 0.00 0.00 61.98 62.62 3m9s s VAL 124 Cb -0.13 -3.38 0.33 0.00 0.00 0.00 0.00 36.38 33.20 3m9s s VAL 124 CO 0.03 0.08 1.29 0.00 0.00 0.00 0.00 175.10 176.49 3m9s n GLN 125 N 2.83 1.82 0.00 2.72 1.13 -1.26 -4.36 117.38 120.25 3m9s n GLN 125 Ca 0.09 -1.27 0.00 0.00 -1.94 0.00 0.00 57.00 53.87 3m9s n GLN 125 Cb 0.40 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.47 3m9s n GLN 125 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3m9s n ASN 126 N 0.53 0.00 0.23 1.08 2.85 -1.26 -1.34 115.26 117.35 3m9s n ASN 126 Ca 0.12 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.73 3m9s n ASN 126 Cb 0.30 0.00 0.75 0.00 1.24 0.00 0.00 39.78 42.07 3m9s n ASN 126 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3m9s h VAL 127 N 0.00 0.00 0.00 3.44 2.07 -1.45 0.28 116.25 120.59 3m9s h VAL 127 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3m9s h VAL 127 Cb 0.00 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3m9s h VAL 127 CO 0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 3m9s n ASP 128 N -2.52 0.00 0.23 0.57 2.03 -1.23 -0.87 116.55 114.76 3m9s n ASP 128 Ca -0.02 0.33 0.09 0.00 0.52 0.00 0.00 54.79 55.72 3m9s n ASP 128 Cb 0.13 -0.38 0.52 0.00 -0.72 0.00 0.00 41.12 40.67 3m9s n ASP 128 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3m9s h SER 129 N 0.00 0.00 0.00 1.67 0.02 -0.84 -3.35 113.55 111.05 3m9s h SER 129 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3m9s h SER 129 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3m9s h SER 129 CO 0.00 0.24 -1.00 1.33 -1.14 0.00 0.00 176.83 176.26 3m9s n VAL 130 N -3.62 0.00 -3.85 2.27 0.24 -0.44 -5.06 118.33 107.87 3m9s n VAL 130 Ca -0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 3m9s n VAL 130 Cb 0.37 -0.82 -0.14 0.00 -1.47 0.00 0.00 33.84 31.78 3m9s n VAL 130 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3m9s s VAL 131 N -2.00 -0.01 -0.28 3.34 -7.23 -0.04 -5.00 120.40 109.18 3m9s s VAL 131 Ca 0.00 0.03 -0.28 0.00 -1.81 0.00 0.00 61.98 59.92 3m9s s VAL 131 Cb 0.00 -0.06 -0.06 0.00 0.56 0.00 0.00 36.38 36.82 3m9s s VAL 131 CO 0.00 0.01 2.27 -2.65 -0.31 0.00 0.00 175.10 174.42 3m9s n PRO 132 N 3.21 1.73 -2.82 4.82 -0.02 -1.26 -3.54 135.00 137.12 3m9s n PRO 132 Ca -0.14 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 3m9s n PRO 132 Cb 0.59 -3.27 -0.03 0.00 -0.02 0.00 0.00 33.50 30.77 3m9s n PRO 132 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3m9s s VAL 133 N 9.19 4.87 -0.15 -1.45 1.01 -1.26 -4.14 120.40 128.47 3m9s s VAL 133 Ca 1.01 1.80 -0.17 0.00 0.00 0.00 0.00 61.98 64.63 3m9s s VAL 133 Cb -0.31 -4.21 -0.24 0.00 0.00 0.00 0.00 36.38 31.62 3m9s s VAL 133 CO 0.34 0.06 0.40 0.44 0.00 0.00 0.00 175.10 176.34 3m9s h ASP 134 N 7.11 0.23 -4.31 3.32 3.32 -1.46 -3.48 116.42 121.15 3m9s h ASP 134 Ca -0.33 -0.76 -0.44 0.00 0.02 0.00 0.00 57.03 55.53 3m9s h ASP 134 Cb 1.16 -0.08 -0.25 0.00 0.22 0.00 0.00 39.33 40.38 3m9s h ASP 134 CO 0.82 1.59 -0.79 -0.69 -1.72 0.00 0.00 179.24 178.45 3m9s s VAL 135 N -2.44 1.07 -0.11 -1.35 1.01 -1.11 -5.02 120.40 112.45 3m9s s VAL 135 Ca -0.24 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 60.84 3m9s s VAL 135 Cb 0.05 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 3m9s s VAL 135 CO 0.70 0.03 -0.19 -0.31 0.00 0.00 0.00 175.10 175.33 3m9s s TYR 136 N -0.79 2.66 -0.30 5.22 1.51 -1.26 -1.72 117.35 122.68 3m9s s TYR 136 Ca 0.02 -0.80 0.02 0.00 -1.01 0.00 0.00 57.07 55.31 3m9s s TYR 136 Cb -0.07 -1.75 0.07 0.00 -0.11 0.00 0.00 41.96 40.10 3m9s s TYR 136 CO 0.01 -0.28 -0.03 0.54 -1.11 0.00 0.00 175.55 174.68 3m9s s VAL 137 N 0.23 2.36 0.59 0.71 0.11 -0.39 -4.97 120.40 119.05 3m9s s VAL 137 Ca -0.12 -1.87 -0.20 0.00 -2.93 0.00 0.00 61.98 56.87 3m9s s VAL 137 Cb -0.16 -2.52 -0.03 0.00 -1.53 0.00 0.00 36.38 32.14 3m9s s VAL 137 CO 0.07 -0.26 1.28 -2.16 -3.33 0.00 0.00 175.10 170.69 3m9s s PRO 138 N 1.05 2.91 0.00 1.54 0.04 -1.26 -0.67 135.00 138.62 3m9s s PRO 138 Ca -0.01 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.05 3m9s s PRO 138 Cb -0.20 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3m9s s PRO 138 CO -0.05 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.09 3m9s n GLY 139 N 0.70 4.47 2.49 0.56 0.00 -1.26 -4.61 105.19 107.55 3m9s n GLY 139 Ca 0.13 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 3m9s n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m9s s PRO 141 N 0.12 2.64 0.25 0.00 0.04 -1.26 -5.07 135.00 131.72 3m9s s PRO 141 Ca 0.32 -0.73 -0.30 0.00 0.04 0.00 0.00 61.00 60.34 3m9s s PRO 141 Cb 0.08 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 3m9s s PRO 141 CO -0.15 -0.63 1.11 -1.25 0.04 0.00 0.00 177.00 176.11 3m9s s PRO 142 N -4.73 4.62 0.82 0.56 0.04 -1.25 -4.98 135.00 130.07 3m9s s PRO 142 Ca 0.56 1.79 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 3m9s s PRO 142 Cb -0.10 -3.22 -0.11 0.00 0.04 0.00 0.00 34.50 31.11 3m9s s PRO 142 CO 0.38 0.15 -0.26 -2.13 0.04 0.00 0.00 177.00 175.18 3m9s n ARG 143 N 1.60 0.02 -0.21 4.56 0.63 -1.26 -4.82 116.66 117.18 3m9s n ARG 143 Ca 0.00 0.02 -0.08 0.00 -0.92 0.00 0.00 57.85 56.88 3m9s n ARG 143 Cb 0.45 -1.24 0.03 0.00 0.45 0.00 0.00 32.46 32.15 3m9s n ARG 143 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3m9s h PRO 144 N -0.69 0.93 0.00 -0.14 0.11 -1.94 -2.85 132.00 127.41 3m9s h PRO 144 Ca -0.43 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.48 3m9s h PRO 144 Cb 1.35 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3m9s h PRO 144 CO 0.33 0.82 0.00 0.39 -0.21 0.00 0.00 178.00 179.32 3m9s n GLU 145 N -4.41 0.03 -0.02 1.05 4.71 -1.26 -2.13 120.64 118.60 3m9s n GLU 145 Ca 0.03 0.27 -0.11 0.00 -0.01 0.00 0.00 57.16 57.34 3m9s n GLU 145 Cb 0.20 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 28.99 3m9s n GLU 145 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3m9s n ALA 146 N -1.46 1.39 0.26 0.62 0.00 -1.08 -3.55 120.51 116.68 3m9s n ALA 146 Ca 0.03 -0.74 0.14 0.00 0.00 0.00 0.00 53.44 52.87 3m9s n ALA 146 Cb 0.14 -0.82 0.61 0.00 0.00 0.00 0.00 19.45 19.38 3m9s n ALA 146 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3m9s h LEU 147 N 0.01 0.00 -0.01 0.00 7.12 -1.42 -0.94 115.31 120.07 3m9s h LEU 147 Ca -0.31 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.70 3m9s h LEU 147 Cb 2.02 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 42.15 3m9s h LEU 147 CO 0.08 0.10 -0.00 0.40 -0.13 0.00 0.00 178.44 178.89 3m9s h ILE 148 N 0.00 1.30 -0.52 4.05 5.03 -1.61 -2.87 117.51 122.89 3m9s h ILE 148 Ca -0.00 -0.90 0.10 0.00 -0.12 0.00 0.00 64.86 63.94 3m9s h ILE 148 Cb 0.58 1.90 -0.03 0.00 -3.03 0.00 0.00 36.82 36.24 3m9s h ILE 148 CO 0.01 0.23 0.36 0.22 -0.68 0.00 0.00 178.15 178.29 3m9s h TYR 149 N -0.37 0.32 -0.56 1.37 5.03 -1.52 -2.17 116.97 119.08 3m9s h TYR 149 Ca 0.00 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.26 3m9s h TYR 149 Cb 0.38 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 3m9s h TYR 149 CO 0.06 0.15 0.11 0.00 -1.32 0.00 0.00 178.16 177.16 3m9s h ALA 150 N 1.73 1.14 0.00 1.82 0.00 -0.97 -2.17 119.26 120.81 3m9s h ALA 150 Ca 0.24 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3m9s h ALA 150 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3m9s h ALA 150 CO -0.05 0.57 -1.14 -0.39 0.00 0.00 0.00 179.25 178.24 3m9s h VAL 151 N 0.84 0.32 0.00 0.00 -1.51 -1.29 -2.86 116.25 111.74 3m9s h VAL 151 Ca 0.18 -1.60 -0.03 0.00 -1.23 0.00 0.00 66.70 64.02 3m9s h VAL 151 Cb 0.35 1.86 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3m9s h VAL 151 CO 0.00 0.18 -0.14 0.24 -1.23 0.00 0.00 177.57 176.63 3m9s h MET 152 N 0.00 0.00 0.29 5.19 2.07 -1.21 0.53 114.93 121.79 3m9s h MET 152 Ca -0.08 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.53 3m9s h MET 152 Cb 1.33 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.06 3m9s h MET 152 CO 0.03 0.14 -0.14 0.37 1.07 0.00 0.00 176.91 178.38 3m9s h GLN 153 N 0.00 -0.37 0.00 1.72 5.75 -1.30 -1.99 115.11 118.92 3m9s h GLN 153 Ca -0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3m9s h GLN 153 Cb 0.37 0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.00 3m9s h GLN 153 CO 0.02 -0.25 0.02 1.25 -2.65 0.00 0.00 178.83 177.22 3m9s h LEU 154 N -1.00 0.00 0.29 -2.39 5.85 -1.40 -0.00 115.31 116.66 3m9s h LEU 154 Ca -0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3m9s h LEU 154 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3m9s h LEU 154 CO 0.06 0.00 -0.14 -0.61 -0.34 0.00 0.00 178.44 177.41 3m9s h GLN 155 N 0.00 -0.38 0.00 1.25 4.15 0.06 -2.80 115.11 117.40 3m9s h GLN 155 Ca 0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3m9s h GLN 155 Cb 0.05 0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3m9s h GLN 155 CO 0.00 -0.25 0.00 1.17 -1.93 0.00 0.00 178.83 177.82 3m9s n LYS 156 N -3.95 0.03 -0.05 1.69 0.00 -0.75 -2.11 118.16 113.01 3m9s n LYS 156 Ca -0.05 0.17 -0.15 0.00 0.00 0.00 0.00 58.31 58.28 3m9s n LYS 156 Cb 0.15 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.54 3m9s n LYS 156 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3m9s n LYS 157 N -1.17 0.69 0.20 1.64 4.81 -0.09 -1.89 118.16 122.35 3m9s n LYS 157 Ca 0.01 0.19 0.13 0.00 -0.87 0.00 0.00 58.31 57.77 3m9s n LYS 157 Cb 0.01 -1.65 0.37 0.00 0.02 0.00 0.00 35.03 33.78 3m9s n LYS 157 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 3m9s h VAL 158 N 0.02 0.00 0.00 3.15 -1.51 -1.15 0.21 116.25 116.97 3m9s h VAL 158 Ca -0.45 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 3m9s h VAL 158 Cb 2.05 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 32.88 3m9s h VAL 158 CO 0.03 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.91 3m9s n ARG 159 N -2.82 0.05 -2.67 5.19 1.74 -1.07 -4.57 116.66 112.50 3m9s n ARG 159 Ca 0.03 0.19 -0.11 0.00 -0.77 0.00 0.00 57.85 57.20 3m9s n ARG 159 Cb 0.43 -1.57 0.02 0.00 -1.02 0.00 0.00 32.46 30.31 3m9s n ARG 159 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m9s n GLY 160 N 0.61 0.14 0.71 -0.13 0.00 0.75 -4.84 105.19 102.43 3m9s n GLY 160 Ca 0.05 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.76 3m9s n GLY 160 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3m9s n GLN 161 N -2.32 1.72 -4.49 1.61 7.27 -0.79 -4.88 117.38 115.50 3m9s n GLN 161 Ca -0.04 -3.11 -0.22 0.00 0.07 0.00 0.00 57.00 53.70 3m9s n GLN 161 Cb 0.55 -1.68 -0.16 0.00 2.41 0.00 0.00 30.24 31.37 3m9s n GLN 161 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3m9s s ALA 162 N -3.15 1.02 0.14 1.69 0.00 -1.24 -4.90 121.76 115.32 3m9s s ALA 162 Ca 0.39 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.02 3m9s s ALA 162 Cb 0.36 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 3m9s s ALA 162 CO -0.02 0.17 -0.18 0.71 0.00 0.00 0.00 175.76 176.44 3m9s s TYR 163 N 0.19 1.70 0.43 0.00 1.51 -1.26 0.13 117.35 120.05 3m9s s TYR 163 Ca -0.04 -0.48 -0.07 0.00 -1.01 0.00 0.00 57.07 55.47 3m9s s TYR 163 Cb -0.10 -0.87 0.10 0.00 -0.11 0.00 0.00 41.96 40.98 3m9s s TYR 163 CO 0.01 0.26 0.56 0.27 -1.11 0.00 0.00 175.55 175.53 3m9s n ASN 164 N 0.51 -0.15 0.04 2.29 0.23 -0.81 -4.93 115.26 112.44 3m9s n ASN 164 Ca -0.15 -1.15 0.12 0.00 -0.53 0.00 0.00 54.58 52.87 3m9s n ASN 164 Cb 0.56 -0.44 0.48 0.00 -2.08 0.00 0.00 39.78 38.31 3m9s n ASN 164 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3m9s n GLU 165 N -2.30 0.09 0.14 -3.83 -0.58 -1.26 -2.56 120.64 110.34 3m9s n GLU 165 Ca 0.07 0.16 0.03 0.00 -0.42 0.00 0.00 57.16 57.00 3m9s n GLU 165 Cb 0.25 -1.62 0.03 0.00 -0.57 0.00 0.00 31.44 29.53 3m9s n GLU 165 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3m9s h ARG 166 N 0.00 0.00 0.00 3.49 3.08 -2.06 -3.47 114.38 115.42 3m9s h ARG 166 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m9s h ARG 166 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3m9s h ARG 166 CO 0.00 0.46 0.00 0.41 -1.07 0.00 0.00 179.97 179.77 3m9s n GLY 167 N 1.22 1.14 3.76 0.04 0.00 -1.06 -5.11 105.19 105.17 3m9s n GLY 167 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3m9s n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m9s s GLU 168 N -0.16 4.73 0.20 1.61 2.02 -1.26 -4.84 118.70 121.00 3m9s s GLU 168 Ca 0.00 1.65 -0.30 0.00 0.02 0.00 0.00 54.97 56.34 3m9s s GLU 168 Cb 0.00 -3.21 -0.08 0.00 0.10 0.00 0.00 34.13 30.93 3m9s s GLU 168 CO 0.00 0.35 1.18 0.50 0.02 0.00 0.00 175.26 177.31 3m9s s ARG 169 N -1.35 4.51 -0.16 1.61 3.52 -1.26 -1.93 118.95 123.89 3m9s s ARG 169 Ca 0.43 1.86 -0.08 0.00 -0.13 0.00 0.00 55.73 57.82 3m9s s ARG 169 Cb -0.29 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 3m9s s ARG 169 CO 0.36 -0.04 0.10 -0.51 -0.81 0.00 0.00 175.30 174.40 3m9s s LEU 170 N -0.41 4.07 0.08 -0.88 1.43 0.12 -4.94 118.68 118.15 3m9s s LEU 170 Ca 0.52 0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 53.55 3m9s s LEU 170 Cb -0.32 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 3m9s s LEU 170 CO 0.37 0.26 1.87 -2.16 0.23 0.00 0.00 176.35 176.92 3m9s s PRO 171 N -0.13 4.14 0.21 1.29 0.04 -1.26 -4.70 135.00 134.59 3m9s s PRO 171 Ca 0.09 2.57 -0.10 0.00 0.04 0.00 0.00 61.00 63.60 3m9s s PRO 171 Cb -0.12 -3.84 0.28 0.00 0.04 0.00 0.00 34.50 30.87 3m9s s PRO 171 CO 0.01 -0.88 1.72 -1.35 0.04 0.00 0.00 177.00 176.53 3m9s h PRO 172 N 9.41 0.28 -6.28 0.56 0.11 -1.91 -3.40 132.00 130.78 3m9s h PRO 172 Ca -0.47 -0.02 -0.69 0.00 0.11 0.00 0.00 66.00 64.94 3m9s h PRO 172 Cb 1.22 -0.06 -0.21 0.00 0.11 0.00 0.00 31.00 32.06 3m9s h PRO 172 CO 0.94 0.19 -0.74 0.08 -0.21 0.00 0.00 178.00 178.26 3m9s s VAL 173 N -6.11 3.33 -1.34 3.15 1.01 -1.26 -4.49 120.40 114.69 3m9s s VAL 173 Ca -0.13 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 3m9s s VAL 173 Cb 0.17 -2.35 0.11 0.00 0.00 0.00 0.00 36.38 34.31 3m9s s VAL 173 CO 0.74 0.55 1.94 0.00 0.00 0.00 0.00 175.10 178.33 3m9s n ALA 174 N 2.13 5.06 -1.68 5.51 0.00 -1.26 -5.12 120.51 125.15 3m9s n ALA 174 Ca -0.17 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.17 3m9s n ALA 174 Cb 0.52 -3.27 0.00 0.00 0.00 0.00 0.00 19.45 16.71 3m9s n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50