#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rty n ASP 23 N 0.00 -9.33 -0.14 4.39 2.03 -1.26 -4.41 116.55 107.83 1rty n ASP 23 Ca 0.00 1.53 -0.09 0.00 0.52 0.00 0.00 54.79 56.75 1rty n ASP 23 Cb 0.00 -5.24 -0.01 0.00 -0.72 0.00 0.00 41.12 35.15 1rty n ASP 23 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1rty h SER 24 N 4.46 0.57 -0.84 1.67 0.87 -2.04 -2.43 113.55 115.81 1rty h SER 24 Ca 0.00 -0.18 0.07 0.00 -1.23 0.00 0.00 61.79 60.45 1rty h SER 24 Cb 0.00 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 61.75 1rty h SER 24 CO 0.00 0.60 0.50 -0.07 -0.53 0.00 0.00 176.83 177.33 1rty h LEU 25 N 0.51 0.77 -0.06 2.23 3.38 -1.97 0.75 115.31 120.91 1rty h LEU 25 Ca 0.13 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1rty h LEU 25 Cb 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1rty h LEU 25 CO -0.01 0.47 -0.24 -0.09 0.09 0.00 0.00 178.44 178.66 1rty h ARG 26 N 0.89 0.27 -0.62 1.13 2.43 -1.84 -2.60 114.38 114.04 1rty h ARG 26 Ca 0.38 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1rty h ARG 26 Cb 0.25 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1rty h ARG 26 CO -0.20 0.85 0.15 0.28 -1.51 0.00 0.00 179.97 179.54 1rty h VAL 27 N -0.24 1.25 -0.48 0.20 2.07 -1.09 -1.60 116.25 116.35 1rty h VAL 27 Ca -0.01 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1rty h VAL 27 Cb 0.88 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1rty h VAL 27 CO 0.05 0.34 0.21 -0.08 0.02 0.00 0.00 177.57 178.11 1rty h GLU 28 N 0.93 0.67 -0.06 1.57 4.57 0.50 -0.98 114.58 121.78 1rty h GLU 28 Ca 0.20 -0.08 -0.16 0.00 -1.18 0.00 0.00 59.36 58.14 1rty h GLU 28 Cb 0.33 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1rty h GLU 28 CO -0.00 0.54 -0.58 0.77 -1.18 0.00 0.00 179.01 178.56 1rty h SER 29 N 0.67 0.62 -0.52 1.04 0.02 -1.03 -2.03 113.55 112.32 1rty h SER 29 Ca 0.17 -0.69 -0.01 0.00 -0.84 0.00 0.00 61.79 60.42 1rty h SER 29 Cb 0.10 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1rty h SER 29 CO -0.02 1.21 0.30 0.22 -1.14 0.00 0.00 176.83 177.40 1rty h TYR 30 N 0.07 0.71 -0.47 3.45 5.03 -1.08 -1.87 116.97 122.81 1rty h TYR 30 Ca -0.05 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.16 1rty h TYR 30 Cb 1.25 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 39.28 1rty h TYR 30 CO 0.12 0.51 -0.05 0.78 -1.32 0.00 0.00 178.16 178.20 1rty h GLY 31 N 0.70 0.88 2.00 1.82 0.00 -1.21 -1.23 103.07 106.02 1rty h GLY 31 Ca 0.19 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 1rty h GLY 31 CO -0.03 0.58 -0.36 -0.84 0.00 0.00 0.00 176.54 175.89 1rty h THR 32 N 0.75 0.81 0.06 4.70 2.02 -1.20 0.95 112.91 121.00 1rty h THR 32 Ca 0.14 -1.51 -0.24 0.00 0.77 0.00 0.00 66.41 65.57 1rty h THR 32 Cb 0.53 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1rty h THR 32 CO 0.03 0.35 -1.06 0.40 0.37 0.00 0.00 175.52 175.61 1rty h ILE 33 N 0.00 1.46 -0.20 3.11 2.04 -0.98 -1.06 117.51 121.88 1rty h ILE 33 Ca -0.00 -2.74 -0.08 0.00 1.00 0.00 0.00 64.86 63.03 1rty h ILE 33 Cb 0.92 2.66 -0.00 0.00 -0.74 0.00 0.00 36.82 39.65 1rty h ILE 33 CO 0.05 0.81 -0.20 -0.78 0.00 0.00 0.00 178.15 178.03 1rty h ASP 34 N 0.14 0.52 -0.37 1.72 3.58 -0.97 0.11 116.42 121.15 1rty h ASP 34 Ca -0.10 -0.48 0.05 0.00 0.42 0.00 0.00 57.03 56.93 1rty h ASP 34 Cb 1.74 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 42.59 1rty h ASP 34 CO 0.18 0.89 0.10 -0.08 -2.88 0.00 0.00 179.24 177.45 1rty h GLU 35 N 0.16 0.23 -0.07 0.28 4.81 -0.78 -0.64 114.58 118.57 1rty h GLU 35 Ca 0.03 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1rty h GLU 35 Cb 0.74 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1rty h GLU 35 CO 0.05 0.15 -0.07 1.25 -0.73 0.00 0.00 179.01 179.66 1rty h LEU 36 N 0.24 -0.23 -1.12 1.64 7.12 -1.02 -1.98 115.31 119.96 1rty h LEU 36 Ca 0.18 0.05 0.17 0.00 0.13 0.00 0.00 57.88 58.40 1rty h LEU 36 Cb 0.18 0.11 -0.09 0.00 -0.53 0.00 0.00 40.66 40.33 1rty h LEU 36 CO -0.21 -0.10 0.61 -1.13 -0.13 0.00 0.00 178.44 177.48 1rty h ASN 37 N -0.10 0.75 0.46 1.25 -1.24 -0.02 -1.46 115.58 115.23 1rty h ASN 37 Ca 0.05 0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 1rty h ASN 37 Cb 0.17 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1rty h ASN 37 CO -0.13 0.33 -0.22 0.28 -1.29 0.00 0.00 177.43 176.40 1rty h SER 38 N 0.77 -0.52 -0.59 1.15 0.02 -0.41 -0.42 113.55 113.55 1rty h SER 38 Ca 0.53 -0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.59 1rty h SER 38 Cb 0.81 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 1rty h SER 38 CO -0.30 -0.31 0.41 -0.26 -1.14 0.00 0.00 176.83 175.24 1rty h PHE 39 N -0.70 0.22 -0.48 3.45 -1.00 -0.85 0.76 116.94 118.35 1rty h PHE 39 Ca -0.06 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.62 1rty h PHE 39 Cb 0.51 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1rty h PHE 39 CO -0.02 0.09 -0.12 0.82 -1.61 0.00 0.00 178.31 177.47 1rty h ILE 40 N 0.20 1.26 -0.95 -0.55 2.04 -0.73 -0.28 117.51 118.51 1rty h ILE 40 Ca 0.28 -1.23 0.06 0.00 1.00 0.00 0.00 64.86 64.97 1rty h ILE 40 Cb 0.85 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 1rty h ILE 40 CO -0.05 0.43 0.61 1.23 0.00 0.00 0.00 178.15 180.36 1rty h GLY 41 N 0.96 1.43 1.06 5.37 0.00 0.22 0.14 103.07 112.24 1rty h GLY 41 Ca 0.13 -0.45 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 1rty h GLY 41 CO 0.04 0.33 -0.46 -2.00 0.00 0.00 0.00 176.54 174.45 1rty h LEU 42 N 1.11 0.87 -0.91 3.11 5.85 -0.82 -1.35 115.31 123.17 1rty h LEU 42 Ca 0.40 -0.53 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1rty h LEU 42 Cb 0.14 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1rty h LEU 42 CO -0.16 1.23 0.01 0.00 -0.34 0.00 0.00 178.44 179.18 1rty h ALA 43 N 0.66 1.10 -0.39 1.25 0.00 -0.37 -1.67 119.26 119.85 1rty h ALA 43 Ca 0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1rty h ALA 43 Cb 1.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1rty h ALA 43 CO 0.10 0.57 -0.16 1.25 0.00 0.00 0.00 179.25 181.02 1rty h LEU 44 N 0.76 0.81 -0.57 0.00 6.46 -0.70 0.20 115.31 122.27 1rty h LEU 44 Ca 0.15 -0.39 0.04 0.00 -0.12 0.00 0.00 57.88 57.56 1rty h LEU 44 Cb 0.44 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 1rty h LEU 44 CO 0.02 1.02 0.32 0.00 -0.62 0.00 0.00 178.44 179.17 1rty h ALA 45 N 0.82 0.73 0.22 1.25 0.00 -0.91 0.13 119.26 121.50 1rty h ALA 45 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1rty h ALA 45 Cb 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1rty h ALA 45 CO 0.05 0.00 -0.10 1.49 0.00 0.00 0.00 179.25 180.69 1rty h GLU 46 N 0.61 -0.28 -0.48 0.00 4.57 -1.08 -3.13 114.58 114.79 1rty h GLU 46 Ca 0.24 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.52 1rty h GLU 46 Cb 0.10 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 1rty h GLU 46 CO -0.14 -0.00 0.33 -0.07 -1.18 0.00 0.00 179.01 177.95 1rty h LEU 47 N -0.55 0.28 0.00 1.64 3.38 -0.34 -0.69 115.31 119.03 1rty h LEU 47 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1rty h LEU 47 Cb 0.41 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1rty h LEU 47 CO 0.05 0.18 0.00 -1.20 0.09 0.00 0.00 178.44 177.56 1rty n SER 48 N -4.47 0.00 0.04 -0.43 7.64 0.01 -2.30 113.62 114.11 1rty n SER 48 Ca 0.07 0.38 0.12 0.00 1.01 0.00 0.00 58.87 60.45 1rty n SER 48 Cb 0.32 -0.43 0.21 0.00 -1.01 0.00 0.00 64.21 63.30 1rty n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rty n GLY 49 N -0.42 -1.37 3.33 0.23 0.00 -0.27 -4.89 105.19 101.81 1rty n GLY 49 Ca 0.03 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1rty n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rty s GLN 50 N -3.11 1.66 0.71 1.61 1.11 -0.97 -5.14 119.66 115.52 1rty s GLN 50 Ca 0.08 -1.11 -0.11 0.00 0.01 0.00 0.00 55.36 54.22 1rty s GLN 50 Cb 0.15 -1.87 0.02 0.00 -1.01 0.00 0.00 33.01 30.29 1rty s GLN 50 CO 0.71 0.48 1.08 -1.25 0.01 0.00 0.00 175.29 176.32 1rty s PRO 51 N -1.35 2.84 0.00 2.91 0.04 -1.26 -4.25 135.00 133.93 1rty s PRO 51 Ca 0.11 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1rty s PRO 51 Cb -0.10 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1rty s PRO 51 CO 0.03 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.39 1rty n GLY 52 N -2.64 0.59 0.96 0.56 0.00 -1.26 -4.93 105.19 98.47 1rty n GLY 52 Ca 0.07 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.58 1rty n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1rty n PHE 53 N -2.71 0.00 -0.25 1.61 3.72 -1.26 -4.86 117.46 113.72 1rty n PHE 53 Ca 0.00 -0.52 -0.00 0.00 -0.05 0.00 0.00 57.45 56.88 1rty n PHE 53 Cb 0.00 -0.13 0.22 0.00 -0.94 0.00 0.00 39.48 38.62 1rty n PHE 53 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1rty h GLU 54 N 0.62 1.05 -0.07 -1.08 3.07 -1.91 0.16 114.58 116.42 1rty h GLU 54 Ca -0.11 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 1rty h GLU 54 Cb 1.56 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1rty h GLU 54 CO 0.05 0.70 -0.01 0.38 -1.40 0.00 0.00 179.01 178.73 1rty h ASP 55 N 1.08 0.13 -0.92 1.42 -0.00 -2.00 -2.31 116.42 113.82 1rty h ASP 55 Ca 0.29 -0.36 -0.01 0.00 -0.00 0.00 0.00 57.03 56.95 1rty h ASP 55 Cb -0.11 -0.04 -0.04 0.00 -0.00 0.00 0.00 39.33 39.14 1rty h ASP 55 CO -0.06 0.46 0.54 -0.07 -0.00 0.00 0.00 179.24 180.11 1rty h LEU 56 N -0.20 1.12 0.19 0.15 3.38 -1.85 -2.41 115.31 115.68 1rty h LEU 56 Ca 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1rty h LEU 56 Cb 0.40 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1rty h LEU 56 CO 0.01 0.87 -0.09 0.74 0.09 0.00 0.00 178.44 180.05 1rty h THR 57 N 1.27 0.83 -0.51 0.22 2.02 -0.93 -1.03 112.91 114.78 1rty h THR 57 Ca 0.33 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 1rty h THR 57 Cb -0.03 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1rty h THR 57 CO -0.06 0.01 0.26 0.00 0.37 0.00 0.00 175.52 176.11 1rty h ALA 58 N 0.52 1.51 0.11 6.16 0.00 -1.34 -2.54 119.26 123.69 1rty h ALA 58 Ca -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1rty h ALA 58 Cb 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1rty h ALA 58 CO 0.04 0.40 -0.06 0.93 0.00 0.00 0.00 179.25 180.57 1rty h GLU 59 N 0.71 -0.15 -0.87 0.00 5.08 -1.11 -1.97 114.58 116.27 1rty h GLU 59 Ca 0.18 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.68 1rty h GLU 59 Cb 0.05 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 1rty h GLU 59 CO -0.03 0.17 0.57 -0.07 -1.00 0.00 0.00 179.01 178.64 1rty h LEU 60 N -0.47 0.66 -0.72 1.33 3.38 -1.04 0.66 115.31 119.11 1rty h LEU 60 Ca -0.02 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1rty h LEU 60 Cb 0.38 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1rty h LEU 60 CO 0.03 0.35 -0.04 0.25 0.09 0.00 0.00 178.44 179.11 1rty h LEU 61 N 0.71 0.92 -0.38 1.67 5.85 -1.28 -0.48 115.31 122.32 1rty h LEU 61 Ca 0.43 -0.26 -0.14 0.00 0.84 0.00 0.00 57.88 58.75 1rty h LEU 61 Cb 0.66 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1rty h LEU 61 CO -0.19 1.00 -0.32 0.74 -0.34 0.00 0.00 178.44 179.33 1rty h THR 62 N 0.86 1.28 -0.78 1.05 2.02 0.07 -2.81 112.91 114.59 1rty h THR 62 Ca 0.15 -1.49 -0.00 0.00 0.77 0.00 0.00 66.41 65.84 1rty h THR 62 Cb 0.56 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 1rty h THR 62 CO 0.03 0.50 0.48 0.40 0.37 0.00 0.00 175.52 177.29 1rty h ILE 63 N 0.69 1.22 -0.84 3.11 2.04 0.52 -1.05 117.51 123.20 1rty h ILE 63 Ca 0.07 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1rty h ILE 63 Cb 0.91 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1rty h ILE 63 CO 0.08 0.23 0.56 1.56 0.00 0.00 0.00 178.15 180.57 1rty h GLN 64 N 1.08 1.10 -0.29 2.37 4.20 -0.85 0.18 115.11 122.90 1rty h GLN 64 Ca 0.28 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1rty h GLN 64 Cb -0.05 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 1rty h GLN 64 CO -0.05 0.73 0.09 0.45 -0.67 0.00 0.00 178.83 179.37 1rty h HIS 65 N 1.13 0.47 -0.39 2.96 3.86 -1.21 -0.98 115.15 120.99 1rty h HIS 65 Ca 0.31 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1rty h HIS 65 Cb -0.11 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 1rty h HIS 65 CO -0.01 0.50 -0.04 0.93 0.86 0.00 0.00 177.93 180.17 1rty h GLU 66 N 0.31 0.63 -0.24 2.45 5.08 -0.57 -0.91 114.58 121.33 1rty h GLU 66 Ca 0.09 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1rty h GLU 66 Cb 0.25 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1rty h GLU 66 CO -0.00 0.68 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.33 1rty h LEU 67 N 0.59 0.48 -0.28 1.33 3.38 -0.50 0.36 115.31 120.67 1rty h LEU 67 Ca 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1rty h LEU 67 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1rty h LEU 67 CO 0.02 0.75 0.16 0.15 0.09 0.00 0.00 178.44 179.62 1rty h PHE 68 N 0.41 0.37 -0.67 1.13 3.57 -0.22 -0.82 116.94 120.72 1rty h PHE 68 Ca 0.06 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1rty h PHE 68 Cb 0.71 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1rty h PHE 68 CO 0.02 0.29 0.39 -0.44 -2.23 0.00 0.00 178.31 176.34 1rty h ASP 69 N 0.35 0.82 -0.05 0.41 3.45 -0.39 -1.70 116.42 119.31 1rty h ASP 69 Ca 0.10 -0.08 0.04 0.00 0.43 0.00 0.00 57.03 57.51 1rty h ASP 69 Cb 0.03 -0.21 -0.05 0.00 -0.56 0.00 0.00 39.33 38.55 1rty h ASP 69 CO -0.02 0.66 -0.22 0.00 -1.57 0.00 0.00 179.24 178.10 1rty h GLY 71 N -0.32 -0.65 0.33 0.00 0.00 -0.92 -1.52 103.07 99.99 1rty h GLY 71 Ca 0.07 0.38 0.14 0.00 0.00 0.00 0.00 47.33 47.93 1rty h GLY 71 CO -0.23 -0.25 0.53 -1.33 0.00 0.00 0.00 176.54 175.25 1rty h GLY 72 N -0.57 1.51 1.78 4.60 0.00 -0.93 0.21 103.07 109.67 1rty h GLY 72 Ca 0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1rty h GLY 72 CO -0.17 0.04 -0.03 -0.55 0.00 0.00 0.00 176.54 175.83 1rty h ASP 73 N 0.78 0.26 0.90 0.19 3.32 0.41 -1.34 116.42 120.94 1rty h ASP 73 Ca 0.48 -0.04 -0.22 0.00 0.02 0.00 0.00 57.03 57.28 1rty h ASP 73 Cb 0.60 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1rty h ASP 73 CO -0.32 0.34 -1.16 -0.07 -1.72 0.00 0.00 179.24 176.31 1rty h LEU 74 N 0.27 0.00 -1.38 1.55 3.38 -0.10 -3.25 115.31 115.78 1rty h LEU 74 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1rty h LEU 74 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1rty h LEU 74 CO 0.01 0.94 -0.31 0.00 0.09 0.00 0.00 178.44 179.17 1rty h ALA 75 N 1.06 1.45 -2.78 1.53 0.00 0.12 -3.44 119.26 117.21 1rty h ALA 75 Ca -0.09 -0.28 -0.53 0.00 0.00 0.00 0.00 54.91 54.01 1rty h ALA 75 Cb 1.79 -0.05 0.08 0.00 0.00 0.00 0.00 17.79 19.62 1rty h ALA 75 CO 0.11 0.39 0.89 -0.89 0.00 0.00 0.00 179.25 179.75 1rty n ILE 76 N -4.12 0.99 -2.43 0.00 5.41 -0.58 -4.90 119.36 113.73 1rty n ILE 76 Ca -0.02 -0.25 0.01 0.00 1.00 0.00 0.00 62.75 63.49 1rty n ILE 76 Cb 0.36 -1.97 0.01 0.00 -0.71 0.00 0.00 39.64 37.32 1rty n ILE 76 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1rty n VAL 77 N 2.21 0.15 0.00 1.39 0.24 -1.26 -5.03 118.33 116.02 1rty n VAL 77 Ca 0.09 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 1rty n VAL 77 Cb 0.37 0.92 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 1rty n VAL 77 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1rty n THR 78 N 0.17 0.00 -2.72 3.34 5.66 -1.26 -5.29 114.28 114.18 1rty n THR 78 Ca -0.03 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.76 1rty n THR 78 Cb 0.99 -0.51 0.03 0.00 -1.55 0.00 0.00 70.33 69.29 1rty n THR 78 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1rty s ASP 82 N -1.80 5.38 0.56 1.09 2.15 -1.26 -5.34 116.67 117.45 1rty s ASP 82 Ca 0.00 -0.01 -0.08 0.00 0.43 0.00 0.00 52.55 52.89 1rty s ASP 82 Cb 0.00 -0.94 -0.03 0.00 -0.30 0.00 0.00 42.92 41.65 1rty s ASP 82 CO 0.00 -1.05 0.92 -0.31 -0.17 0.00 0.00 175.17 174.55 1rty s TYR 83 N -2.70 3.57 -0.26 -5.34 2.02 -1.26 -5.04 117.35 108.34 1rty s TYR 83 Ca 0.56 1.03 -0.06 0.00 -0.37 0.00 0.00 57.07 58.23 1rty s TYR 83 Cb -0.10 -2.55 -0.16 0.00 -0.40 0.00 0.00 41.96 38.75 1rty s TYR 83 CO 0.38 -0.54 -0.22 1.63 -1.57 0.00 0.00 175.55 175.23 1rty n LYS 84 N -2.54 0.63 -1.70 -0.62 5.02 -1.26 -4.97 118.16 112.72 1rty n LYS 84 Ca 0.04 0.22 -0.41 0.00 -2.02 0.00 0.00 58.31 56.14 1rty n LYS 84 Cb 0.55 -1.53 0.01 0.00 -0.02 0.00 0.00 35.03 34.03 1rty n LYS 84 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1rty n LEU 85 N -3.71 3.99 -4.43 -0.35 7.94 -1.26 -5.00 117.00 114.18 1rty n LEU 85 Ca -0.48 1.12 -0.26 0.00 -1.11 0.00 0.00 56.01 55.28 1rty n LEU 85 Cb 0.94 -1.50 -0.11 0.00 0.53 0.00 0.00 43.42 43.28 1rty n LEU 85 CO 0.18 -0.62 -0.52 0.28 -1.11 0.00 0.00 177.39 175.60 1rty s THR 86 N -1.19 2.34 0.36 1.96 -1.32 -1.26 -5.02 115.64 111.52 1rty s THR 86 Ca 0.60 -2.08 0.29 0.00 -1.21 0.00 0.00 61.69 59.29 1rty s THR 86 Cb -0.51 -2.14 0.31 0.00 -1.51 0.00 0.00 72.50 68.65 1rty s THR 86 CO 0.58 -0.17 2.05 -0.33 -2.21 0.00 0.00 174.62 174.55 1rty h GLU 87 N 3.07 0.00 -0.67 7.08 4.39 -1.95 -2.80 114.58 123.69 1rty h GLU 87 Ca -0.45 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 1rty h GLU 87 Cb 1.22 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.83 1rty h GLU 87 CO 0.50 0.11 0.38 0.93 -1.16 0.00 0.00 179.01 179.77 1rty h GLU 88 N 0.00 0.91 -0.82 2.33 3.07 -1.99 -2.01 114.58 116.07 1rty h GLU 88 Ca -0.00 -0.09 0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1rty h GLU 88 Cb 0.38 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 1rty h GLU 88 CO 0.01 0.66 0.54 0.77 -1.40 0.00 0.00 179.01 179.59 1rty h SER 89 N 0.93 0.93 -0.14 1.42 0.02 -1.92 0.27 113.55 115.06 1rty h SER 89 Ca 0.24 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1rty h SER 89 Cb -0.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1rty h SER 89 CO -0.04 0.67 -0.21 0.58 -1.14 0.00 0.00 176.83 176.69 1rty h VAL 90 N 1.10 1.26 -0.08 2.27 2.07 -1.50 -2.60 116.25 118.77 1rty h VAL 90 Ca 0.30 -1.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 1rty h VAL 90 Cb -0.12 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1rty h VAL 90 CO -0.07 0.40 -0.18 0.28 0.02 0.00 0.00 177.57 178.02 1rty h SER 91 N 0.50 0.30 -0.67 0.57 0.02 -0.77 -3.08 113.55 110.43 1rty h SER 91 Ca 0.08 -0.57 0.13 0.00 -0.84 0.00 0.00 61.79 60.59 1rty h SER 91 Cb 0.64 -0.09 -0.10 0.00 0.14 0.00 0.00 62.40 63.00 1rty h SER 91 CO 0.05 0.81 0.15 0.15 -1.14 0.00 0.00 176.83 176.85 1rty h PHE 92 N -0.21 0.24 0.12 3.45 3.57 -0.43 -1.89 116.94 121.80 1rty h PHE 92 Ca 0.00 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1rty h PHE 92 Cb 0.77 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 1rty h PHE 92 CO 0.11 -0.05 -0.30 -0.07 -2.23 0.00 0.00 178.31 175.77 1rty h LEU 93 N 0.27 -0.87 -0.69 0.59 4.07 -1.45 -1.77 115.31 115.47 1rty h LEU 93 Ca 0.36 0.10 0.13 0.00 0.08 0.00 0.00 57.88 58.55 1rty h LEU 93 Cb 0.57 0.33 -0.09 0.00 1.08 0.00 0.00 40.66 42.55 1rty h LEU 93 CO -0.45 -0.39 0.22 -0.33 -1.08 0.00 0.00 178.44 176.40 1rty h GLU 94 N -0.52 0.34 0.13 1.13 5.08 -1.29 0.49 114.58 119.94 1rty h GLU 94 Ca 0.03 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1rty h GLU 94 Cb 0.55 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1rty h GLU 94 CO -0.18 0.23 -0.21 1.15 -1.00 0.00 0.00 179.01 179.01 1rty h THR 95 N 0.35 0.54 -0.15 1.13 2.02 -0.99 0.00 112.91 115.81 1rty h THR 95 Ca 0.37 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.51 1rty h THR 95 Cb 0.56 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1rty h THR 95 CO -0.41 0.00 -0.10 0.03 0.37 0.00 0.00 175.52 175.41 1rty h ARG 96 N -0.40 0.23 -0.73 6.66 2.47 -0.35 0.53 114.38 122.80 1rty h ARG 96 Ca 0.02 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.65 1rty h ARG 96 Cb 0.41 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 1rty h ARG 96 CO -0.10 0.34 0.28 0.82 0.56 0.00 0.00 179.97 181.87 1rty h ILE 97 N 0.22 1.25 0.10 2.04 2.04 0.69 -0.59 117.51 123.28 1rty h ILE 97 Ca 0.05 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1rty h ILE 97 Cb 0.32 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1rty h ILE 97 CO 0.02 0.32 -0.05 0.44 0.00 0.00 0.00 178.15 178.88 1rty h ASP 98 N 1.05 -0.12 -0.82 1.72 3.32 0.27 0.13 116.42 121.97 1rty h ASP 98 Ca 0.24 -0.42 0.20 0.00 0.02 0.00 0.00 57.03 57.07 1rty h ASP 98 Cb 0.23 0.03 -0.13 0.00 0.22 0.00 0.00 39.33 39.68 1rty h ASP 98 CO -0.02 0.41 0.13 0.00 -1.72 0.00 0.00 179.24 178.04 1rty h ALA 99 N 0.08 1.04 -0.10 3.45 0.00 -0.87 0.26 119.26 123.11 1rty h ALA 99 Ca -0.01 0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 1rty h ALA 99 Cb 0.53 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1rty h ALA 99 CO 0.02 -0.43 -0.67 1.88 0.00 0.00 0.00 179.25 180.05 1rty h TYR 100 N 0.17 0.86 -0.74 0.00 0.99 -1.09 -1.76 116.97 115.40 1rty h TYR 100 Ca 0.48 -0.40 0.01 0.00 2.00 0.00 0.00 58.73 60.82 1rty h TYR 100 Cb 0.91 -0.13 -0.04 0.00 1.00 0.00 0.00 36.73 38.47 1rty h TYR 100 CO -0.33 1.21 0.49 1.15 -0.00 0.00 0.00 178.16 180.67 1rty h THR 101 N 0.27 1.19 0.12 -2.88 2.02 0.73 -1.27 112.91 113.10 1rty h THR 101 Ca -0.06 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1rty h THR 101 Cb 1.32 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1rty h THR 101 CO 0.14 0.18 -0.06 0.00 0.37 0.00 0.00 175.52 176.15 1rty h ALA 102 N 1.53 -0.17 -0.93 6.16 0.00 -0.55 -3.25 119.26 122.06 1rty h ALA 102 Ca 0.27 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 55.13 1rty h ALA 102 Cb -0.11 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 1rty h ALA 102 CO -0.06 -0.33 0.60 1.49 0.00 0.00 0.00 179.25 180.95 1rty h GLU 103 N -0.69 0.56 -7.13 0.00 4.81 -1.07 -3.41 114.58 107.65 1rty h GLU 103 Ca -0.02 -0.03 -0.46 0.00 -0.13 0.00 0.00 59.36 58.72 1rty h GLU 103 Cb 0.52 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1rty h GLU 103 CO 0.03 0.37 0.36 0.00 -0.73 0.00 0.00 179.01 179.04 1rty s ALA 104 N -5.61 3.05 0.14 2.92 0.00 -0.50 -4.99 121.76 116.77 1rty s ALA 104 Ca -0.09 0.30 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 1rty s ALA 104 Cb 0.23 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.12 1rty s ALA 104 CO 0.79 -0.07 1.50 -1.25 0.00 0.00 0.00 175.76 176.73 1rty s PRO 105 N -3.62 4.26 0.09 0.00 0.04 -1.26 -4.90 135.00 129.60 1rty s PRO 105 Ca 0.61 2.24 -0.37 0.00 0.04 0.00 0.00 61.00 63.52 1rty s PRO 105 Cb -0.10 -3.22 -0.16 0.00 0.04 0.00 0.00 34.50 31.06 1rty s PRO 105 CO 0.22 -0.54 1.37 -0.85 0.04 0.00 0.00 177.00 177.24 1rty n GLU 106 N 4.05 1.24 -3.45 4.56 0.28 -1.26 -4.94 120.64 121.13 1rty n GLU 106 Ca 0.13 0.45 -0.32 0.00 -0.16 0.00 0.00 57.16 57.26 1rty n GLU 106 Cb 0.40 -2.10 -0.05 0.00 1.43 0.00 0.00 31.44 31.11 1rty n GLU 106 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 1rty s LEU 107 N 0.59 4.19 -0.04 -1.84 2.34 -1.26 -4.99 118.68 117.67 1rty s LEU 107 Ca 0.84 0.89 0.06 0.00 0.06 0.00 0.00 54.13 55.98 1rty s LEU 107 Cb -0.93 -3.62 0.09 0.00 -0.56 0.00 0.00 46.19 41.17 1rty s LEU 107 CO 0.46 -0.05 0.95 0.29 -1.06 0.00 0.00 176.35 176.94 1rty n LYS 108 N -0.06 0.97 -3.51 1.48 5.02 -1.26 -5.07 118.16 115.73 1rty n LYS 108 Ca -0.00 -1.48 -0.11 0.00 -2.02 0.00 0.00 58.31 54.70 1rty n LYS 108 Cb 0.52 -0.90 -0.02 0.00 -0.02 0.00 0.00 35.03 34.61 1rty n LYS 108 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1rty s LYS 109 N -1.06 1.31 0.21 1.97 2.47 -1.26 -5.14 119.74 118.24 1rty s LYS 109 Ca 0.10 -0.57 -0.30 0.00 -1.56 0.00 0.00 55.97 53.63 1rty s LYS 109 Cb 0.08 0.57 -0.10 0.00 -1.46 0.00 0.00 37.83 36.93 1rty s LYS 109 CO 0.01 -0.57 1.42 -0.06 0.16 0.00 0.00 175.35 176.31 1rty s PHE 110 N -3.78 3.10 -0.00 4.03 0.08 -1.26 -4.98 117.98 115.17 1rty s PHE 110 Ca 0.03 1.01 -0.01 0.00 0.12 0.00 0.00 56.93 58.08 1rty s PHE 110 Cb -0.01 -3.77 -0.04 0.00 -0.57 0.00 0.00 43.02 38.63 1rty s PHE 110 CO -0.10 -2.56 0.13 0.42 -0.10 0.00 0.00 175.22 173.01 1rty s ILE 111 N 0.28 5.03 0.03 0.64 1.01 -1.26 -2.97 121.20 123.96 1rty s ILE 111 Ca 0.61 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.93 1rty s ILE 111 Cb -0.40 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1rty s ILE 111 CO 0.39 0.32 0.13 -0.76 0.00 0.00 0.00 174.94 175.02 1rty s LEU 112 N -1.88 4.08 0.17 2.97 1.43 0.69 -4.96 118.68 121.18 1rty s LEU 112 Ca 0.25 0.18 -0.32 0.00 -1.03 0.00 0.00 54.13 53.22 1rty s LEU 112 Cb -0.12 -2.55 -0.11 0.00 0.03 0.00 0.00 46.19 43.44 1rty s LEU 112 CO 0.17 0.22 1.76 -2.84 0.23 0.00 0.00 176.35 175.89 1rty s PRO 113 N -2.10 4.13 0.00 1.29 0.02 -1.26 -4.33 135.00 132.74 1rty s PRO 113 Ca 0.28 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.90 1rty s PRO 113 Cb -0.12 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1rty s PRO 113 CO 0.20 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 1rty n GLY 114 N 4.08 0.29 0.00 0.52 0.00 -1.26 -5.01 105.19 103.81 1rty n GLY 114 Ca 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1rty n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rty n GLY 115 N 0.00 0.60 3.72 -0.02 0.00 -1.26 -4.16 105.19 104.06 1rty n GLY 115 Ca 0.00 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1rty n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rty s SER 116 N -4.00 3.00 0.21 1.61 1.04 -1.26 -4.81 113.70 109.49 1rty s SER 116 Ca 0.00 1.15 -0.08 0.00 0.48 0.00 0.00 55.95 57.50 1rty s SER 116 Cb 0.00 -1.79 0.14 0.00 0.10 0.00 0.00 66.02 64.47 1rty s SER 116 CO 0.00 -2.89 1.74 0.11 0.98 0.00 0.00 173.24 173.17 1rty h LYS 117 N -1.73 1.15 0.21 4.02 1.57 -1.99 -1.25 116.57 118.54 1rty h LYS 117 Ca -0.53 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 57.98 1rty h LYS 117 Cb 1.32 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1rty h LYS 117 CO 0.59 0.99 -0.10 0.00 -0.57 0.00 0.00 179.45 180.36 1rty h ALA 119 N 0.49 1.94 -0.27 0.00 0.00 -1.80 -0.98 119.26 118.64 1rty h ALA 119 Ca -0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1rty h ALA 119 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1rty h ALA 119 CO 0.05 0.05 -0.40 0.77 0.00 0.00 0.00 179.25 179.71 1rty h SER 120 N 0.16 0.70 -0.29 0.00 0.02 -0.75 -2.08 113.55 111.31 1rty h SER 120 Ca 0.06 -0.31 -0.17 0.00 -0.84 0.00 0.00 61.79 60.53 1rty h SER 120 Cb 0.03 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1rty h SER 120 CO -0.01 1.02 -0.47 -0.07 -1.14 0.00 0.00 176.83 176.15 1rty h LEU 121 N 0.54 0.91 -1.35 5.07 3.38 -0.48 -2.01 115.31 121.37 1rty h LEU 121 Ca 0.04 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 1rty h LEU 121 Cb 0.93 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1rty h LEU 121 CO 0.08 1.26 -0.06 -0.07 0.09 0.00 0.00 178.44 179.74 1rty h LEU 122 N 0.59 0.34 -0.56 1.67 3.38 -1.16 -0.24 115.31 119.32 1rty h LEU 122 Ca 0.02 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1rty h LEU 122 Cb 1.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1rty h LEU 122 CO 0.11 0.45 -0.53 0.45 0.09 0.00 0.00 178.44 179.01 1rty h HIS 123 N 0.35 0.66 -0.30 1.13 3.86 -1.23 -1.13 115.15 118.48 1rty h HIS 123 Ca 0.07 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.03 1rty h HIS 123 Cb 0.33 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1rty h HIS 123 CO 0.01 0.94 0.08 0.82 0.86 0.00 0.00 177.93 180.64 1rty h ILE 124 N 0.41 1.21 -0.87 2.45 2.04 -0.67 -1.70 117.51 120.38 1rty h ILE 124 Ca 0.01 -0.70 0.12 0.00 1.00 0.00 0.00 64.86 65.29 1rty h ILE 124 Cb 1.06 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 38.17 1rty h ILE 124 CO 0.10 0.23 0.56 0.00 0.00 0.00 0.00 178.15 179.04 1rty h ALA 125 N 0.91 1.75 0.02 1.87 0.00 -0.75 -0.79 119.26 122.27 1rty h ALA 125 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rty h ALA 125 Cb 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rty h ALA 125 CO -0.00 0.05 -0.01 -0.09 0.00 0.00 0.00 179.25 179.20 1rty h ARG 126 N 0.77 -0.02 -0.49 0.00 2.43 -0.38 0.93 114.38 117.62 1rty h ARG 126 Ca 0.42 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.50 1rty h ARG 126 Cb 0.56 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1rty h ARG 126 CO -0.18 0.10 -0.08 1.79 -1.51 0.00 0.00 179.97 180.09 1rty h THR 127 N -0.14 1.26 -0.25 0.20 1.35 -0.46 -0.96 112.91 113.90 1rty h THR 127 Ca -0.00 -1.17 -0.12 0.00 -0.55 0.00 0.00 66.41 64.57 1rty h THR 127 Cb 0.14 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 1rty h THR 127 CO 0.00 0.41 -0.34 0.40 -0.25 0.00 0.00 175.52 175.74 1rty h ILE 128 N 0.79 1.29 -0.63 6.82 1.08 -1.13 -1.09 117.51 124.64 1rty h ILE 128 Ca 0.13 -1.46 -0.00 0.00 -0.39 0.00 0.00 64.86 63.14 1rty h ILE 128 Cb 0.59 1.47 -0.03 0.00 -3.07 0.00 0.00 36.82 35.78 1rty h ILE 128 CO 0.04 0.46 0.38 0.74 -0.69 0.00 0.00 178.15 179.08 1rty h THR 129 N 0.46 1.18 -0.71 -0.27 2.02 -0.23 0.11 112.91 115.46 1rty h THR 129 Ca 0.05 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1rty h THR 129 Cb 0.81 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1rty h THR 129 CO 0.07 0.18 0.43 0.03 0.37 0.00 0.00 175.52 176.60 1rty h ARG 130 N 0.85 0.96 -0.20 6.66 2.47 -0.63 0.69 114.38 125.18 1rty h ARG 130 Ca 0.22 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.84 1rty h ARG 130 Cb -0.03 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.08 1rty h ARG 130 CO -0.04 0.67 0.03 -0.09 0.56 0.00 0.00 179.97 181.10 1rty h ARG 131 N 0.98 0.32 -0.62 0.04 2.43 -0.36 -1.06 114.38 116.12 1rty h ARG 131 Ca 0.26 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1rty h ARG 131 Cb -0.04 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1rty h ARG 131 CO -0.05 0.48 0.40 0.00 -1.51 0.00 0.00 179.97 179.29 1rty h ALA 132 N 0.83 1.55 -0.05 2.80 0.00 -0.04 -2.02 119.26 122.34 1rty h ALA 132 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1rty h ALA 132 Cb 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rty h ALA 132 CO 0.00 0.42 0.01 1.49 0.00 0.00 0.00 179.25 181.17 1rty h GLU 133 N 0.84 0.07 -1.00 0.00 4.81 -0.45 -1.13 114.58 117.72 1rty h GLU 133 Ca 0.23 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.56 1rty h GLU 133 Cb -0.08 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.20 1rty h GLU 133 CO -0.05 0.26 0.63 0.00 -0.73 0.00 0.00 179.01 179.12 1rty h ARG 134 N -0.12 0.95 -0.37 1.92 3.08 -0.59 0.32 114.38 119.57 1rty h ARG 134 Ca 0.02 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1rty h ARG 134 Cb 0.22 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1rty h ARG 134 CO -0.00 0.63 -0.13 0.00 -1.07 0.00 0.00 179.97 179.40 1rty h ARG 135 N 0.98 0.74 -0.59 0.04 2.47 -1.16 -1.01 114.38 115.86 1rty h ARG 135 Ca 0.50 -0.30 -0.07 0.00 -1.26 0.00 0.00 59.98 58.85 1rty h ARG 135 Cb 0.51 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 1rty h ARG 135 CO -0.27 0.90 0.08 0.28 0.56 0.00 0.00 179.97 181.52 1rty h VAL 136 N 0.53 1.26 -0.10 2.04 2.07 -0.03 -0.40 116.25 121.62 1rty h VAL 136 Ca 0.09 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.63 1rty h VAL 136 Cb 0.66 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1rty h VAL 136 CO 0.04 0.37 -0.16 0.58 0.02 0.00 0.00 177.57 178.42 1rty h VAL 137 N 0.88 0.58 -0.14 2.57 2.07 -0.19 -0.47 116.25 121.56 1rty h VAL 137 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1rty h VAL 137 Cb 0.45 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1rty h VAL 137 CO 0.01 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.64 1rty h ALA 138 N 0.80 1.79 0.00 1.67 0.00 -0.99 -2.35 119.26 120.19 1rty h ALA 138 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rty h ALA 138 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rty h ALA 138 CO -0.23 0.16 0.00 -0.11 0.00 0.00 0.00 179.25 179.08 1rty n LEU 139 N -4.45 0.60 0.00 0.00 7.94 -0.18 -3.30 117.00 117.61 1rty n LEU 139 Ca -0.01 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.59 1rty n LEU 139 Cb 0.13 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 43.92 1rty n LEU 139 CO 0.35 0.11 0.00 0.29 -1.11 0.00 0.00 177.39 177.04 1rty n LYS 141 N 0.56 0.00 0.02 1.96 5.02 -0.88 -1.52 118.16 123.32 1rty n LYS 141 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1rty n LYS 141 Cb 0.11 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.03 1rty n LYS 141 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1rty h SER 142 N 0.00 0.00 -5.13 4.39 4.64 -1.85 -3.49 113.55 112.11 1rty h SER 142 Ca 0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 1rty h SER 142 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1rty h SER 142 CO 0.00 0.67 0.40 -1.83 -0.87 0.00 0.00 176.83 175.19 1rty s GLU 143 N -2.86 1.32 0.31 4.77 -1.05 -0.58 -5.15 118.70 115.47 1rty s GLU 143 Ca -0.03 -0.69 -0.29 0.00 -0.15 0.00 0.00 54.97 53.81 1rty s GLU 143 Cb 0.08 0.47 -0.10 0.00 -0.44 0.00 0.00 34.13 34.15 1rty s GLU 143 CO 0.81 -0.60 1.32 -1.21 0.95 0.00 0.00 175.26 176.54 1rty s GLU 144 N -3.47 4.35 0.13 -4.83 0.41 -1.26 -4.98 118.70 109.04 1rty s GLU 144 Ca 0.10 2.22 -0.04 0.00 -0.41 0.00 0.00 54.97 56.84 1rty s GLU 144 Cb -0.03 -3.08 -0.03 0.00 -1.78 0.00 0.00 34.13 29.22 1rty s GLU 144 CO 0.01 -0.22 0.13 0.96 -0.49 0.00 0.00 175.26 175.65 1rty s ILE 145 N -0.94 0.11 -0.73 -1.63 -4.36 -1.26 -5.07 121.20 107.33 1rty s ILE 145 Ca 0.51 -1.67 -0.26 0.00 -0.26 0.00 0.00 60.65 58.97 1rty s ILE 145 Cb -0.40 -1.84 -0.03 0.00 1.25 0.00 0.00 42.46 41.44 1rty s ILE 145 CO 0.51 -0.50 1.88 -2.28 0.24 0.00 0.00 174.94 174.79 1rty s HIS 146 N -3.99 1.73 0.58 1.37 5.65 -1.26 -4.82 115.29 114.56 1rty s HIS 146 Ca 0.18 0.70 0.28 0.00 0.25 0.00 0.00 55.06 56.47 1rty s HIS 146 Cb 0.06 -4.09 1.53 0.00 -1.18 0.00 0.00 32.58 28.91 1rty s HIS 146 CO -0.02 -2.09 1.98 0.93 -0.65 0.00 0.00 174.74 174.89 1rty h GLU 147 N 13.45 0.00 -0.53 2.88 5.08 -2.00 -0.94 114.58 132.52 1rty h GLU 147 Ca -0.12 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1rty h GLU 147 Cb 1.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1rty h GLU 147 CO 1.22 0.00 0.36 1.15 -1.00 0.00 0.00 179.01 180.74 1rty h THR 148 N 0.00 0.89 -0.55 1.13 2.02 -1.96 -0.75 112.91 113.70 1rty h THR 148 Ca 0.17 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 1rty h THR 148 Cb 0.91 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1rty h THR 148 CO -0.00 0.06 0.13 0.58 0.37 0.00 0.00 175.52 176.66 1rty h VAL 149 N 0.33 1.25 -0.04 3.16 2.07 -1.56 0.83 116.25 122.29 1rty h VAL 149 Ca 0.25 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 1rty h VAL 149 Cb 0.53 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1rty h VAL 149 CO -0.06 0.32 -0.30 0.25 0.02 0.00 0.00 177.57 177.81 1rty h LEU 150 N 0.78 0.06 0.03 2.57 5.85 -1.27 -1.86 115.31 121.47 1rty h LEU 150 Ca 0.17 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1rty h LEU 150 Cb 0.34 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.37 1rty h LEU 150 CO 0.00 0.36 -0.47 0.03 -0.34 0.00 0.00 178.44 178.02 1rty h ARG 151 N 0.06 0.26 -0.35 1.25 3.08 -1.17 -2.65 114.38 114.86 1rty h ARG 151 Ca 0.01 -0.33 0.08 0.00 0.07 0.00 0.00 59.98 59.81 1rty h ARG 151 Cb 0.56 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.63 1rty h ARG 151 CO 0.04 1.06 -0.21 -0.92 -1.07 0.00 0.00 179.97 178.87 1rty h TYR 152 N -0.39 -0.55 -0.80 3.04 3.20 -0.68 -0.09 116.97 120.70 1rty h TYR 152 Ca -0.07 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.85 1rty h TYR 152 Cb 1.26 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.79 1rty h TYR 152 CO 0.18 -0.29 0.53 -0.07 -1.64 0.00 0.00 178.16 176.87 1rty h LEU 153 N -0.16 0.92 -1.18 2.82 3.38 -1.41 0.37 115.31 120.05 1rty h LEU 153 Ca 0.18 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1rty h LEU 153 Cb 0.44 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1rty h LEU 153 CO -0.45 0.66 0.25 -1.13 0.09 0.00 0.00 178.44 177.87 1rty h ASN 154 N 1.08 0.75 0.25 -0.43 -0.73 -0.68 -2.84 115.58 112.98 1rty h ASN 154 Ca 0.29 -0.08 -0.34 0.00 1.87 0.00 0.00 56.30 58.04 1rty h ASN 154 Cb -0.12 -0.19 0.04 0.00 0.27 0.00 0.00 38.32 38.31 1rty h ASN 154 CO -0.06 0.66 -1.48 0.03 -0.37 0.00 0.00 177.43 176.20 1rty h ARG 155 N 0.82 0.54 -0.69 6.67 -0.00 -0.67 -3.35 114.38 117.70 1rty h ARG 155 Ca 0.20 -0.92 0.15 0.00 -0.50 0.00 0.00 59.98 58.91 1rty h ARG 155 Cb 0.13 0.34 -0.12 0.00 0.00 0.00 0.00 29.97 30.32 1rty h ARG 155 CO -0.02 1.44 0.02 1.25 0.00 0.00 0.00 179.97 182.66 1rty h LEU 156 N 0.13 -0.27 -1.66 3.04 5.85 -0.71 0.41 115.31 122.10 1rty h LEU 156 Ca -0.26 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1rty h LEU 156 Cb 2.16 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 43.46 1rty h LEU 156 CO 0.27 -0.13 0.31 0.77 -0.34 0.00 0.00 178.44 179.32 1rty h SER 157 N 0.13 0.37 -0.15 1.25 4.64 -1.64 -0.24 113.55 117.91 1rty h SER 157 Ca 0.37 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.49 1rty h SER 157 Cb 0.62 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1rty h SER 157 CO -0.58 0.25 -0.69 0.44 -0.87 0.00 0.00 176.83 175.38 1rty h ASP 158 N 0.43 0.86 -0.48 4.97 3.45 -0.48 -2.38 116.42 122.79 1rty h ASP 158 Ca 0.20 -0.63 0.06 0.00 0.43 0.00 0.00 57.03 57.09 1rty h ASP 158 Cb 0.25 -0.25 -0.05 0.00 -0.56 0.00 0.00 39.33 38.72 1rty h ASP 158 CO -0.05 1.35 0.19 0.22 -1.57 0.00 0.00 179.24 179.38 1rty h TYR 159 N 0.43 0.34 -0.22 4.55 3.20 0.44 -0.14 116.97 125.57 1rty h TYR 159 Ca -0.04 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 1rty h TYR 159 Cb 1.32 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1rty h TYR 159 CO 0.09 0.14 -0.16 0.74 -1.64 0.00 0.00 178.16 177.33 1rty h PHE 160 N 0.38 0.40 -0.50 -3.82 0.04 -1.04 0.55 116.94 112.96 1rty h PHE 160 Ca 0.22 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 1rty h PHE 160 Cb 0.20 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1rty h PHE 160 CO -0.14 0.52 0.20 0.35 -0.60 0.00 0.00 178.31 178.64 1rty h PHE 161 N 0.35 0.76 -0.02 -0.55 3.57 -0.76 0.47 116.94 120.76 1rty h PHE 161 Ca 0.06 -0.06 -0.17 0.00 3.53 0.00 0.00 57.97 61.34 1rty h PHE 161 Cb 0.49 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1rty h PHE 161 CO 0.01 0.64 -0.74 0.00 -2.23 0.00 0.00 178.31 175.99 1rty h ALA 162 N 1.05 0.72 -0.04 2.41 0.00 -0.48 -2.46 119.26 120.45 1rty h ALA 162 Ca 0.17 -0.65 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 1rty h ALA 162 Cb 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1rty h ALA 162 CO -0.01 0.85 -0.83 0.78 0.00 0.00 0.00 179.25 180.04 1rty h GLY 163 N 1.84 0.45 1.61 0.00 0.00 0.37 -2.45 103.07 104.89 1rty h GLY 163 Ca -0.02 -0.71 -0.11 0.00 0.00 0.00 0.00 47.33 46.49 1rty h GLY 163 CO 0.11 0.63 -0.32 0.00 0.00 0.00 0.00 176.54 176.96 1rty h ALA 164 N 0.84 1.04 -0.07 3.60 0.00 0.05 -2.02 119.26 122.70 1rty h ALA 164 Ca -0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1rty h ALA 164 Cb 1.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1rty h ALA 164 CO 0.14 0.58 -0.21 0.00 0.00 0.00 0.00 179.25 179.77 1rty h ARG 165 N 0.39 0.27 -0.25 0.00 3.08 -1.43 -3.05 114.38 113.39 1rty h ARG 165 Ca 0.05 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 59.95 1rty h ARG 165 Cb 0.76 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.80 1rty h ARG 165 CO 0.06 0.81 -0.01 0.28 -1.07 0.00 0.00 179.97 180.04 1rty h VAL 166 N -0.22 0.82 -0.69 2.04 2.07 -1.38 -0.06 116.25 118.83 1rty h VAL 166 Ca -0.01 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 67.62 1rty h VAL 166 Cb 0.83 0.74 -0.09 0.00 -1.52 0.00 0.00 31.29 31.25 1rty h VAL 166 CO 0.05 0.01 0.25 0.58 0.02 0.00 0.00 177.57 178.47 1rty h VAL 167 N 0.07 0.68 -0.36 2.57 2.07 -1.42 0.90 116.25 120.75 1rty h VAL 167 Ca 0.12 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1rty h VAL 167 Cb 0.15 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1rty h VAL 167 CO -0.20 0.07 -0.09 0.78 0.02 0.00 0.00 177.57 178.15 1rty h ASN 168 N 0.40 0.70 0.43 0.57 2.35 -1.32 -0.40 115.58 118.31 1rty h ASN 168 Ca 0.37 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1rty h ASN 168 Cb 0.54 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1rty h ASN 168 CO -0.38 0.91 -0.35 0.00 -1.65 0.00 0.00 177.43 175.95 1rty h ALA 169 N 0.82 -0.80 -0.47 -0.83 0.00 0.75 0.36 119.26 119.09 1rty h ALA 169 Ca 0.09 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1rty h ALA 169 Cb 0.60 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1rty h ALA 169 CO 0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 179.25 178.29 1rty h ARG 170 N -0.78 0.09 -0.47 0.00 -0.00 0.81 0.32 114.38 114.35 1rty h ARG 170 Ca -0.04 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1rty h ARG 170 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.62 1rty h ARG 170 CO -0.02 0.06 0.00 -1.13 0.00 0.00 0.00 179.97 178.89 1rty n SER 171 N -5.24 0.47 -1.91 7.04 3.41 -0.16 -4.81 113.62 112.42 1rty n SER 171 Ca 0.05 -1.76 -0.11 0.00 -0.26 0.00 0.00 58.87 56.79 1rty n SER 171 Cb 0.25 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1rty n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rty n GLY 172 N 0.21 0.21 0.02 5.00 0.00 0.11 -4.86 105.19 105.88 1rty n GLY 172 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rty n GLY 172 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1rty h ILE 173 N 0.00 0.00 0.00 -0.61 1.08 -0.51 -3.49 117.51 113.98 1rty h ILE 173 Ca -0.23 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1rty h ILE 173 Cb 0.95 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.70 1rty h ILE 173 CO 0.31 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.38 1rty n GLY 174 N 1.80 3.32 3.75 5.37 0.00 -1.21 -5.01 105.19 113.21 1rty n GLY 174 Ca -0.00 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1rty n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rty s ASP 175 N 0.00 6.98 -0.37 1.61 -0.00 -1.26 -4.75 116.67 118.87 1rty s ASP 175 Ca 0.00 2.39 -0.29 0.00 -0.00 0.00 0.00 52.55 54.65 1rty s ASP 175 Cb 0.00 -2.62 0.01 0.00 -0.00 0.00 0.00 42.92 40.31 1rty s ASP 175 CO 0.00 -0.43 1.23 -0.69 -0.00 0.00 0.00 175.17 175.28 1rty s VAL 176 N -0.37 4.19 0.65 -1.27 1.01 -1.26 -4.99 120.40 118.35 1rty s VAL 176 Ca 0.52 1.29 -0.03 0.00 0.00 0.00 0.00 61.98 63.77 1rty s VAL 176 Cb -0.35 -4.34 0.06 0.00 0.00 0.00 0.00 36.38 31.74 1rty s VAL 176 CO 0.41 -0.68 0.92 -1.61 0.00 0.00 0.00 175.10 174.14 1rty s GLU 177 N 4.29 2.23 -1.10 2.72 2.02 -1.26 -0.22 118.70 127.37 1rty s GLU 177 Ca 0.53 -0.61 -0.17 0.00 0.02 0.00 0.00 54.97 54.73 1rty s GLU 177 Cb -0.12 -2.32 0.13 0.00 0.10 0.00 0.00 34.13 31.91 1rty s GLU 177 CO 0.26 -1.07 1.36 -0.47 0.02 0.00 0.00 175.26 175.36 1rty s TYR 178 N -3.04 3.15 -0.38 1.61 5.04 -1.16 -4.72 117.35 117.86 1rty s TYR 178 Ca 0.60 -1.64 -0.12 0.00 -2.44 0.00 0.00 57.07 53.46 1rty s TYR 178 Cb -0.10 -4.41 0.02 0.00 0.35 0.00 0.00 41.96 37.83 1rty s TYR 178 CO 0.42 -1.55 0.23 -1.21 -1.34 0.00 0.00 175.55 172.11 1rty s GLU 179 N 2.73 2.97 0.00 4.97 2.02 -1.26 -5.03 118.70 125.09 1rty s GLU 179 Ca 0.41 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.40 1rty s GLU 179 Cb -0.02 -3.80 0.00 0.00 0.10 0.00 0.00 34.13 30.41 1rty s GLU 179 CO -0.04 -0.67 0.00 -2.13 0.02 0.00 0.00 175.26 172.44 1rty n ARG 180 N 5.05 0.00 -3.50 1.61 0.00 -1.26 -4.82 116.66 113.74 1rty n ARG 180 Ca -0.12 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.49 1rty n ARG 180 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.94 1rty n ARG 180 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1rty n SER 181 N 0.00 -4.17 -0.03 6.15 3.41 -1.26 -5.27 113.62 112.45 1rty n SER 181 Ca 0.00 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1rty n SER 181 Cb 0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.61 1rty n SER 181 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88