#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgq n MET 2 N 0.00 1.33 0.00 2.61 2.81 -1.26 -4.19 117.12 118.42 1rgq n MET 2 Ca 0.00 0.34 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 1rgq n MET 2 Cb 0.00 -2.76 0.00 0.00 -0.71 0.00 0.00 33.22 29.75 1rgq n MET 2 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rgq n GLY 3 N 6.27 0.32 3.13 3.03 0.00 -1.16 -5.03 105.19 111.74 1rgq n GLY 3 Ca 0.38 -0.89 0.10 0.00 0.00 0.00 0.00 46.02 45.61 1rgq n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgq n ALA 4 N 1.35 -2.20 -2.03 4.61 0.00 -1.26 -4.73 120.51 116.25 1rgq n ALA 4 Ca 0.00 0.23 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 1rgq n ALA 4 Cb 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 1rgq n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rgq s PRO 5 N -1.27 3.95 -0.39 0.00 0.04 -1.26 -4.92 135.00 131.15 1rgq s PRO 5 Ca 0.00 0.74 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 1rgq s PRO 5 Cb 0.00 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.25 1rgq s PRO 5 CO 0.00 -0.05 1.21 0.42 0.04 0.00 0.00 177.00 178.62 1rgq s ILE 6 N -2.31 4.21 0.05 0.56 1.01 -1.26 -5.00 121.20 118.46 1rgq s ILE 6 Ca 0.56 1.31 0.05 0.00 0.00 0.00 0.00 60.65 62.57 1rgq s ILE 6 Cb -0.10 -4.39 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 1rgq s ILE 6 CO 0.25 -0.72 -0.14 0.42 0.00 0.00 0.00 174.94 174.75 1rgq s THR 7 N 4.41 1.13 0.04 2.92 -4.23 -1.26 -4.95 115.64 113.69 1rgq s THR 7 Ca 0.51 -1.06 -0.07 0.00 -1.18 0.00 0.00 61.69 59.89 1rgq s THR 7 Cb -0.12 -1.03 -0.00 0.00 1.34 0.00 0.00 72.50 72.69 1rgq s THR 7 CO 0.26 -0.03 0.14 0.00 -0.54 0.00 0.00 174.62 174.45 1rgq s ALA 8 N -0.93 -0.21 0.14 3.99 0.00 -1.26 -5.04 121.76 118.46 1rgq s ALA 8 Ca 0.01 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 51.61 1rgq s ALA 8 Cb -0.08 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1rgq s ALA 8 CO 0.01 -0.33 -0.11 1.52 0.00 0.00 0.00 175.76 176.85 1rgq s TYR 9 N -2.54 1.27 -0.03 0.00 -0.85 -1.26 -4.83 117.35 109.11 1rgq s TYR 9 Ca -0.05 -0.72 0.06 0.00 -0.52 0.00 0.00 57.07 55.83 1rgq s TYR 9 Cb -0.01 -0.65 -0.01 0.00 0.38 0.00 0.00 41.96 41.67 1rgq s TYR 9 CO -0.04 0.09 -0.21 0.00 -1.52 0.00 0.00 175.55 173.87 1rgq s ALA 10 N -3.11 1.76 -0.06 9.51 0.00 -1.26 -4.92 121.76 123.69 1rgq s ALA 10 Ca 0.15 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1rgq s ALA 10 Cb 0.01 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1rgq s ALA 10 CO 0.01 0.38 -0.09 -0.65 0.00 0.00 0.00 175.76 175.41 1rgq s GLN 11 N -0.27 1.42 -0.12 0.00 -0.21 -1.26 -5.10 119.66 114.12 1rgq s GLN 11 Ca 0.02 -0.31 -0.17 0.00 0.02 0.00 0.00 55.36 54.93 1rgq s GLN 11 Cb -0.10 -1.25 -0.04 0.00 1.00 0.00 0.00 33.01 32.62 1rgq s GLN 11 CO 0.01 -0.03 0.42 -1.14 -2.12 0.00 0.00 175.29 172.43 1rgq s GLN 12 N 0.82 4.28 -0.02 2.91 0.74 -1.26 -4.99 119.66 122.15 1rgq s GLN 12 Ca -0.12 0.35 0.15 0.00 0.05 0.00 0.00 55.36 55.79 1rgq s GLN 12 Cb -0.15 -3.42 -0.23 0.00 1.10 0.00 0.00 33.01 30.31 1rgq s GLN 12 CO 0.02 0.22 0.35 0.25 -0.55 0.00 0.00 175.29 175.58 1rgq n THR 13 N 3.49 0.00 -3.94 -0.34 -2.24 -1.26 -5.04 114.28 104.95 1rgq n THR 13 Ca -0.09 -0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 1rgq n THR 13 Cb 0.52 0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.86 1rgq n THR 13 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1rgq s ARG 14 N -3.00 0.51 0.56 -0.78 0.52 -1.26 -5.12 118.95 110.38 1rgq s ARG 14 Ca -0.05 -0.67 0.06 0.00 -0.52 0.00 0.00 55.73 54.55 1rgq s ARG 14 Cb 0.10 0.20 0.07 0.00 0.52 0.00 0.00 34.95 35.83 1rgq s ARG 14 CO 0.62 -0.12 0.77 0.20 0.02 0.00 0.00 175.30 176.80 1rgq s GLY 15 N -1.88 1.81 0.15 -3.53 0.00 -1.26 -4.91 107.32 97.70 1rgq s GLY 15 Ca -0.09 -1.84 -0.17 0.00 0.00 0.00 0.00 44.72 42.63 1rgq s GLY 15 CO -0.03 -1.45 1.70 -2.00 0.00 0.00 0.00 173.10 171.32 1rgq h LEU 16 N 0.15 -0.17 -0.73 0.66 6.46 -2.00 -1.39 115.31 118.29 1rgq h LEU 16 Ca -0.35 0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.38 1rgq h LEU 16 Cb 1.28 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 41.35 1rgq h LEU 16 CO 0.43 -0.05 -0.19 0.25 -0.62 0.00 0.00 178.44 178.26 1rgq h LEU 17 N 0.08 0.78 -0.87 2.25 5.85 -2.00 -2.52 115.31 118.87 1rgq h LEU 17 Ca 0.17 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 1rgq h LEU 17 Cb 0.23 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1rgq h LEU 17 CO -0.29 0.96 -0.07 1.23 -0.34 0.00 0.00 178.44 179.92 1rgq h GLY 18 N 0.97 0.81 0.97 3.75 0.00 -1.87 -2.88 103.07 104.82 1rgq h GLY 18 Ca 0.10 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1rgq h GLY 18 CO 0.05 0.54 -0.02 0.00 0.00 0.00 0.00 176.54 177.11 1rgq h ILE 20 N 0.60 1.22 -0.53 0.00 2.04 -1.35 -2.05 117.51 117.44 1rgq h ILE 20 Ca 0.12 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 1rgq h ILE 20 Cb 0.51 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1rgq h ILE 20 CO 0.03 0.25 0.10 0.40 0.00 0.00 0.00 178.15 178.93 1rgq h ILE 21 N 0.60 1.25 0.00 -0.67 2.04 -1.54 -2.64 117.51 116.56 1rgq h ILE 21 Ca 0.15 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1rgq h ILE 21 Cb 0.23 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1rgq h ILE 21 CO -0.01 0.33 0.00 1.07 0.00 0.00 0.00 178.15 179.55 1rgq n THR 22 N -4.39 0.09 0.09 -0.27 5.66 -1.14 -1.90 114.28 112.42 1rgq n THR 22 Ca 0.02 0.02 -0.20 0.00 -3.05 0.00 0.00 64.05 60.84 1rgq n THR 22 Cb 0.25 -0.55 -0.15 0.00 -1.55 0.00 0.00 70.33 68.33 1rgq n THR 22 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1rgq h SER 23 N 0.00 0.57 0.60 1.09 0.87 -1.02 -1.67 113.55 113.99 1rgq h SER 23 Ca 0.00 -0.73 -0.28 0.00 -1.23 0.00 0.00 61.79 59.55 1rgq h SER 23 Cb 0.40 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1rgq h SER 23 CO 0.00 1.60 -1.33 -0.07 -0.53 0.00 0.00 176.83 176.50 1rgq h LEU 24 N 0.10 0.37 0.02 2.23 3.38 -1.39 -3.32 115.31 116.70 1rgq h LEU 24 Ca -0.26 -0.43 -0.23 0.00 0.09 0.00 0.00 57.88 57.04 1rgq h LEU 24 Cb 2.07 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.68 1rgq h LEU 24 CO 0.20 1.35 -1.11 0.71 0.09 0.00 0.00 178.44 179.68 1rgq h THR 25 N 0.06 1.60 -0.09 0.22 1.35 -1.52 -3.47 112.91 111.07 1rgq h THR 25 Ca -0.16 -3.31 -0.04 0.00 -0.55 0.00 0.00 66.41 62.35 1rgq h THR 25 Cb 1.97 2.82 -0.01 0.00 -1.73 0.00 0.00 68.15 71.20 1rgq h THR 25 CO 0.18 0.92 -0.03 0.61 -0.25 0.00 0.00 175.52 176.95 1rgq n GLY 26 N 1.40 0.46 3.32 5.82 0.00 -0.63 -4.75 105.19 110.81 1rgq n GLY 26 Ca -0.03 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1rgq n GLY 26 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rgq s ARG 27 N -1.21 3.04 -0.30 1.61 3.52 -1.24 -2.45 118.95 121.93 1rgq s ARG 27 Ca 0.00 -0.88 0.03 0.00 -0.13 0.00 0.00 55.73 54.74 1rgq s ARG 27 Cb 0.00 -3.32 0.08 0.00 -1.56 0.00 0.00 34.95 30.15 1rgq s ARG 27 CO 0.00 -0.44 -0.00 0.34 -0.81 0.00 0.00 175.30 174.38 1rgq s ASP 28 N 1.47 4.42 0.01 -2.12 3.68 -0.59 -4.81 116.67 118.73 1rgq s ASP 28 Ca 0.02 -1.71 0.27 0.00 2.13 0.00 0.00 52.55 53.26 1rgq s ASP 28 Cb -0.17 -1.42 0.89 0.00 -1.45 0.00 0.00 42.92 40.76 1rgq s ASP 28 CO 0.02 -0.31 1.69 0.29 0.13 0.00 0.00 175.17 176.98 1rgq n LYS 29 N 4.45 0.01 -1.85 4.34 4.76 -1.26 -1.91 118.16 126.71 1rgq n LYS 29 Ca -0.04 0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 55.02 1rgq n LYS 29 Cb 0.42 -1.51 0.03 0.00 -1.84 0.00 0.00 35.03 32.14 1rgq n LYS 29 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1rgq s ASN 30 N -3.07 5.37 0.22 4.39 0.02 -1.26 -4.97 114.94 115.65 1rgq s ASN 30 Ca 0.12 2.70 -0.30 0.00 -1.02 0.00 0.00 52.86 54.36 1rgq s ASN 30 Cb 0.18 -2.63 -0.08 0.00 0.02 0.00 0.00 41.25 38.74 1rgq s ASN 30 CO 0.61 -1.49 1.00 -1.58 0.02 0.00 0.00 177.10 175.65 1rgq s GLN 31 N -2.89 4.75 -0.07 -0.60 0.74 -1.26 -4.94 119.66 115.39 1rgq s GLN 31 Ca 0.71 1.58 0.01 0.00 0.05 0.00 0.00 55.36 57.71 1rgq s GLN 31 Cb -0.39 -3.28 -0.03 0.00 1.10 0.00 0.00 33.01 30.42 1rgq s GLN 31 CO 0.46 0.35 -0.10 0.54 -0.55 0.00 0.00 175.29 175.99 1rgq s VAL 32 N -0.87 3.45 0.21 1.34 0.11 -1.26 -5.12 120.40 118.26 1rgq s VAL 32 Ca 0.44 -0.56 -0.01 0.00 -2.93 0.00 0.00 61.98 58.91 1rgq s VAL 32 Cb -0.27 -2.41 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 1rgq s VAL 32 CO 0.34 0.58 0.14 -1.61 -3.33 0.00 0.00 175.10 171.22 1rgq s GLU 33 N -0.58 1.23 0.00 1.54 2.02 -1.26 -4.02 118.70 117.63 1rgq s GLU 33 Ca 0.08 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 53.43 1rgq s GLU 33 Cb -0.12 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.39 1rgq s GLU 33 CO 0.02 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.30 1rgq n GLY 34 N -0.29 -1.38 0.13 -1.39 0.00 -1.26 -4.82 105.19 96.19 1rgq n GLY 34 Ca 0.02 -1.57 -0.19 0.00 0.00 0.00 0.00 46.02 44.29 1rgq n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rgq n GLU 35 N -1.49 0.69 -4.47 1.61 4.71 -1.26 -2.01 120.64 118.42 1rgq n GLU 35 Ca 0.00 0.18 -0.34 0.00 -0.01 0.00 0.00 57.16 57.00 1rgq n GLU 35 Cb 0.00 -1.58 -0.12 0.00 -1.01 0.00 0.00 31.44 28.72 1rgq n GLU 35 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1rgq s VAL 36 N -2.53 3.79 -0.10 2.62 1.01 -1.26 -1.66 120.40 122.26 1rgq s VAL 36 Ca -0.30 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1rgq s VAL 36 Cb 0.08 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1rgq s VAL 36 CO 0.66 0.51 -0.07 -1.10 0.00 0.00 0.00 175.10 175.10 1rgq s GLN 37 N 0.21 3.13 -0.42 2.72 -1.52 0.58 -4.97 119.66 119.39 1rgq s GLN 37 Ca -0.03 -0.57 -0.23 0.00 -1.95 0.00 0.00 55.36 52.58 1rgq s GLN 37 Cb -0.14 -2.68 0.02 0.00 -0.22 0.00 0.00 33.01 29.99 1rgq s GLN 37 CO 0.03 0.45 0.76 0.42 -0.25 0.00 0.00 175.29 176.71 1rgq s ILE 38 N -0.25 4.71 0.23 1.08 1.01 -1.26 -0.49 121.20 126.23 1rgq s ILE 38 Ca 0.03 0.54 0.07 0.00 0.00 0.00 0.00 60.65 61.29 1rgq s ILE 38 Cb -0.13 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 1rgq s ILE 38 CO 0.03 -0.59 0.15 0.68 0.00 0.00 0.00 174.94 175.20 1rgq s VAL 39 N 3.15 4.31 0.06 2.92 -7.23 -0.05 -4.99 120.40 118.56 1rgq s VAL 39 Ca 0.29 -1.38 -0.18 0.00 -1.81 0.00 0.00 61.98 58.90 1rgq s VAL 39 Cb -0.13 -3.28 0.04 0.00 0.56 0.00 0.00 36.38 33.57 1rgq s VAL 39 CO 0.20 -0.28 0.42 -0.55 -0.31 0.00 0.00 175.10 174.58 1rgq s SER 40 N -3.59 -0.29 -0.05 4.85 0.15 -1.26 -1.00 113.70 112.51 1rgq s SER 40 Ca 0.32 -0.03 0.08 0.00 0.70 0.00 0.00 55.95 57.02 1rgq s SER 40 Cb -0.08 0.44 0.12 0.00 -1.71 0.00 0.00 66.02 64.78 1rgq s SER 40 CO 0.24 -0.70 1.02 0.35 1.20 0.00 0.00 173.24 175.35 1rgq n THR 41 N 0.39 1.22 0.00 6.45 -2.24 -0.79 -5.00 114.28 114.31 1rgq n THR 41 Ca -0.18 -1.38 0.00 0.00 -2.27 0.00 0.00 64.05 60.22 1rgq n THR 41 Cb 0.60 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1rgq n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rgq n ALA 42 N -0.81 0.00 -0.02 6.98 0.00 -1.26 -4.61 120.51 120.79 1rgq n ALA 42 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 1rgq n ALA 42 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 1rgq n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rgq h THR 43 N 0.00 1.40 -4.39 0.00 1.03 -2.00 -3.46 112.91 105.48 1rgq h THR 43 Ca 0.00 -1.88 -0.60 0.00 -0.01 0.00 0.00 66.41 63.92 1rgq h THR 43 Cb 0.00 2.34 -0.30 0.00 -1.07 0.00 0.00 68.15 69.12 1rgq h THR 43 CO 0.00 0.56 -0.85 -1.10 -0.01 0.00 0.00 175.52 174.11 1rgq s GLN 44 N -3.53 1.69 -0.09 0.00 -0.21 -1.26 -5.14 119.66 111.12 1rgq s GLN 44 Ca -0.13 -0.73 0.04 0.00 0.02 0.00 0.00 55.36 54.55 1rgq s GLN 44 Cb 0.05 -1.62 0.00 0.00 1.00 0.00 0.00 33.01 32.44 1rgq s GLN 44 CO 0.82 0.43 -0.21 -0.08 -2.12 0.00 0.00 175.29 174.13 1rgq s THR 45 N -0.45 1.78 0.00 -0.19 -1.32 -1.26 -1.89 115.64 112.32 1rgq s THR 45 Ca 0.07 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 1rgq s THR 45 Cb -0.08 -1.56 0.00 0.00 -1.51 0.00 0.00 72.50 69.35 1rgq s THR 45 CO -0.01 0.50 0.00 2.22 -2.21 0.00 0.00 174.62 175.12 1rgq n PHE 46 N 3.58 0.00 -4.45 9.09 1.16 -0.17 -4.26 117.46 122.41 1rgq n PHE 46 Ca -0.20 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.14 1rgq n PHE 46 Cb 0.53 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.29 1rgq n PHE 46 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1rgq s LEU 47 N 0.00 2.56 -0.05 5.98 1.02 -0.32 -0.87 118.68 126.99 1rgq s LEU 47 Ca 0.00 -1.00 -0.02 0.00 0.02 0.00 0.00 54.13 53.13 1rgq s LEU 47 Cb 0.00 -1.07 0.03 0.00 0.02 0.00 0.00 46.19 45.18 1rgq s LEU 47 CO 0.00 0.03 0.11 0.00 0.02 0.00 0.00 176.35 176.51 1rgq s ALA 48 N -2.41 -0.18 -0.04 4.21 0.00 0.36 -4.13 121.76 119.57 1rgq s ALA 48 Ca 0.28 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.79 1rgq s ALA 48 Cb -0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1rgq s ALA 48 CO 0.13 -0.12 -0.18 0.99 0.00 0.00 0.00 175.76 176.58 1rgq s THR 49 N 0.93 2.78 -0.36 0.00 2.01 0.62 -0.31 115.64 121.30 1rgq s THR 49 Ca -0.07 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 60.93 1rgq s THR 49 Cb -0.10 -2.06 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 1rgq s THR 49 CO -0.04 0.58 0.39 0.00 -0.69 0.00 0.00 174.62 174.86 1rgq s ILE 51 N 2.07 0.48 -1.24 0.00 1.01 -0.75 -1.16 121.20 121.60 1rgq s ILE 51 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 1rgq s ILE 51 Cb -0.17 -0.57 0.01 0.00 0.01 0.00 0.00 42.46 41.75 1rgq s ILE 51 CO 0.12 0.25 0.99 0.59 0.00 0.00 0.00 174.94 176.89 1rgq n ASN 52 N 4.63 -5.90 0.00 3.58 3.02 -1.21 -2.93 115.26 116.45 1rgq n ASN 52 Ca -0.16 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 1rgq n ASN 52 Cb 0.50 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.12 1rgq n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rgq n GLY 53 N -1.80 0.47 3.02 7.41 0.00 -1.26 -5.02 105.19 108.01 1rgq n GLY 53 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1rgq n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rgq s VAL 54 N -2.05 0.84 -0.48 1.61 0.11 -1.15 -2.18 120.40 117.10 1rgq s VAL 54 Ca 0.00 -0.40 -0.23 0.00 -2.93 0.00 0.00 61.98 58.42 1rgq s VAL 54 Cb 0.00 -0.74 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1rgq s VAL 54 CO 0.00 0.26 0.78 0.00 -3.33 0.00 0.00 175.10 172.81 1rgq s TRP 56 N 3.30 3.36 0.31 0.00 0.52 0.76 -1.93 118.94 125.27 1rgq s TRP 56 Ca 0.27 0.15 -0.19 0.00 0.02 0.00 0.00 56.10 56.36 1rgq s TRP 56 Cb -0.13 -1.68 0.06 0.00 -1.15 0.00 0.00 33.47 30.57 1rgq s TRP 56 CO 0.20 0.55 0.85 -0.08 0.02 0.00 0.00 176.95 178.50 1rgq s THR 57 N -1.50 0.00 0.30 2.01 -1.32 -1.01 -0.28 115.64 113.84 1rgq s THR 57 Ca 0.32 -0.88 -0.26 0.00 -1.21 0.00 0.00 61.69 59.67 1rgq s THR 57 Cb -0.12 -2.70 -0.10 0.00 -1.51 0.00 0.00 72.50 68.07 1rgq s THR 57 CO 0.25 0.00 0.92 0.68 -2.21 0.00 0.00 174.62 174.27 1rgq s VAL 58 N -2.55 4.22 0.27 5.08 -7.23 -1.26 -1.92 120.40 117.00 1rgq s VAL 58 Ca 0.16 1.83 0.08 0.00 -1.81 0.00 0.00 61.98 62.24 1rgq s VAL 58 Cb -0.04 -4.06 -0.02 0.00 0.56 0.00 0.00 36.38 32.82 1rgq s VAL 58 CO 0.09 0.22 1.61 0.22 -0.31 0.00 0.00 175.10 176.92 1rgq h TYR 59 N 3.38 0.12 0.00 2.82 3.20 -1.72 -2.73 116.97 122.04 1rgq h TYR 59 Ca -0.47 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.36 1rgq h TYR 59 Cb 1.19 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1rgq h TYR 59 CO 0.62 0.66 0.00 -2.39 -1.64 0.00 0.00 178.16 175.41 1rgq n HIS 60 N -3.86 0.20 -0.09 -3.82 1.44 -1.26 -0.71 115.22 107.11 1rgq n HIS 60 Ca -0.02 0.08 -0.18 0.00 -2.01 0.00 0.00 57.72 55.60 1rgq n HIS 60 Cb 0.60 -0.63 -0.06 0.00 0.12 0.00 0.00 29.99 30.01 1rgq n HIS 60 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1rgq n GLY 61 N -0.32 -0.37 0.08 -1.39 0.00 -1.16 -4.80 105.19 97.23 1rgq n GLY 61 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 1rgq n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgq h ALA 62 N -0.77 0.68 -0.61 4.61 0.00 -1.51 -3.49 119.26 118.17 1rgq h ALA 62 Ca -0.37 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.37 1rgq h ALA 62 Cb 1.25 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1rgq h ALA 62 CO -0.23 1.31 0.00 0.41 0.00 0.00 0.00 179.25 180.75 1rgq n GLY 63 N 1.46 2.21 1.30 0.00 0.00 0.11 -2.54 105.19 107.72 1rgq n GLY 63 Ca -0.11 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.53 1rgq n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rgq n THR 64 N 0.00 2.53 -1.21 2.61 -2.24 -1.26 -4.87 114.28 109.84 1rgq n THR 64 Ca 0.00 -1.90 -0.30 0.00 -2.27 0.00 0.00 64.05 59.58 1rgq n THR 64 Cb 0.00 -0.29 0.13 0.00 -2.10 0.00 0.00 70.33 68.07 1rgq n THR 64 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1rgq s ARG 65 N -2.93 1.40 0.28 -0.78 0.52 -1.05 -4.88 118.95 111.51 1rgq s ARG 65 Ca 0.47 0.87 0.03 0.00 -0.52 0.00 0.00 55.73 56.59 1rgq s ARG 65 Cb 0.38 -1.82 -0.03 0.00 0.52 0.00 0.00 34.95 34.00 1rgq s ARG 65 CO 0.09 -2.16 0.43 0.95 0.02 0.00 0.00 175.30 174.64 1rgq s THR 66 N -2.93 5.20 -0.08 0.02 -4.23 -1.26 -4.59 115.64 107.77 1rgq s THR 66 Ca 0.63 -0.79 -0.02 0.00 -1.18 0.00 0.00 61.69 60.33 1rgq s THR 66 Cb -0.18 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.77 1rgq s THR 66 CO 0.57 -0.42 0.03 -0.51 -0.54 0.00 0.00 174.62 173.75 1rgq s ILE 67 N -2.11 4.50 0.05 2.99 2.07 -0.78 -4.87 121.20 123.05 1rgq s ILE 67 Ca 0.36 -0.21 -0.30 0.00 -1.41 0.00 0.00 60.65 59.09 1rgq s ILE 67 Cb -0.09 -2.92 -0.04 0.00 0.13 0.00 0.00 42.46 39.53 1rgq s ILE 67 CO 0.32 0.58 1.00 0.00 -1.91 0.00 0.00 174.94 174.93 1rgq s ALA 68 N -0.94 3.22 0.24 1.50 0.00 -1.26 -0.78 121.76 123.74 1rgq s ALA 68 Ca 0.15 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.71 1rgq s ALA 68 Cb -0.11 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1rgq s ALA 68 CO 0.04 -0.19 0.14 -1.54 0.00 0.00 0.00 175.76 174.21 1rgq s SER 69 N 0.64 0.68 0.18 0.00 1.04 -1.03 -4.64 113.70 110.57 1rgq s SER 69 Ca 0.51 -1.43 0.14 0.00 0.48 0.00 0.00 55.95 55.65 1rgq s SER 69 Cb -0.23 0.34 0.72 0.00 0.10 0.00 0.00 66.02 66.95 1rgq s SER 69 CO 0.29 -0.83 1.44 -0.81 0.98 0.00 0.00 173.24 174.31 1rgq n PRO 70 N -0.38 0.09 -0.25 4.02 -0.04 -0.80 -1.55 135.00 136.09 1rgq n PRO 70 Ca 0.02 0.53 0.06 0.00 -0.04 0.00 0.00 63.50 64.07 1rgq n PRO 70 Cb 0.66 -1.76 0.18 0.00 -0.04 0.00 0.00 33.50 32.54 1rgq n PRO 70 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1rgq n LYS 71 N -1.95 2.90 0.00 0.54 5.02 -1.26 -4.83 118.16 118.59 1rgq n LYS 71 Ca -0.00 -2.27 0.00 0.00 -2.02 0.00 0.00 58.31 54.02 1rgq n LYS 71 Cb 0.06 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1rgq n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rgq n GLY 72 N 0.24 -1.09 3.73 0.72 0.00 -0.97 -5.01 105.19 102.82 1rgq n GLY 72 Ca 0.14 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1rgq n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rgq s PRO 73 N -0.00 4.26 -0.21 1.61 0.02 -1.02 -2.47 135.00 137.19 1rgq s PRO 73 Ca 0.00 2.28 -0.05 0.00 0.02 0.00 0.00 61.00 63.25 1rgq s PRO 73 Cb 0.00 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 1rgq s PRO 73 CO 0.00 -0.51 -0.01 0.08 -0.33 0.00 0.00 177.00 176.23 1rgq s VAL 74 N 0.77 3.77 0.59 3.83 1.01 0.04 -4.93 120.40 125.49 1rgq s VAL 74 Ca 0.65 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 1rgq s VAL 74 Cb -0.42 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1rgq s VAL 74 CO 0.35 0.42 1.13 0.27 0.00 0.00 0.00 175.10 177.27 1rgq s ILE 75 N 1.16 3.14 0.38 2.22 -5.25 -1.26 -1.87 121.20 119.72 1rgq s ILE 75 Ca 0.03 0.64 -0.27 0.00 -0.99 0.00 0.00 60.65 60.06 1rgq s ILE 75 Cb -0.14 -3.20 -0.09 0.00 2.95 0.00 0.00 42.46 41.98 1rgq s ILE 75 CO 0.01 -0.23 1.26 -1.10 -1.79 0.00 0.00 174.94 173.08 1rgq s GLN 76 N -3.61 4.14 -0.08 0.37 -0.21 -1.26 -4.74 119.66 114.27 1rgq s GLN 76 Ca 0.71 2.07 -0.21 0.00 0.02 0.00 0.00 55.36 57.95 1rgq s GLN 76 Cb -0.23 -2.85 -0.29 0.00 1.00 0.00 0.00 33.01 30.63 1rgq s GLN 76 CO 0.33 -0.32 0.76 0.52 -2.12 0.00 0.00 175.29 174.47 1rgq h MET 77 N 2.94 0.25 -5.01 2.91 2.86 -0.43 -3.48 114.93 114.97 1rgq h MET 77 Ca -0.49 -0.42 -0.41 0.00 -2.06 0.00 0.00 59.70 56.32 1rgq h MET 77 Cb 1.24 0.16 -0.27 0.00 0.06 0.00 0.00 31.60 32.79 1rgq h MET 77 CO 0.64 1.20 -0.78 0.71 1.06 0.00 0.00 176.91 179.73 1rgq s TYR 78 N -2.42 1.01 -0.19 -0.22 1.51 -1.08 -5.00 117.35 110.96 1rgq s TYR 78 Ca -0.16 -0.27 -0.04 0.00 -1.01 0.00 0.00 57.07 55.58 1rgq s TYR 78 Cb 0.02 -0.62 0.08 0.00 -0.11 0.00 0.00 41.96 41.32 1rgq s TYR 78 CO 0.79 -0.00 0.17 0.99 -1.11 0.00 0.00 175.55 176.39 1rgq s THR 79 N -0.58 -0.24 -0.61 -0.71 2.01 -1.26 -1.30 115.64 112.95 1rgq s THR 79 Ca 0.02 -0.13 0.04 0.00 0.31 0.00 0.00 61.69 61.94 1rgq s THR 79 Cb -0.06 -0.63 0.16 0.00 0.01 0.00 0.00 72.50 71.98 1rgq s THR 79 CO 0.00 -0.23 0.43 0.21 -0.69 0.00 0.00 174.62 174.34 1rgq s ASN 80 N 2.26 4.04 0.41 3.53 3.04 -0.33 -4.84 114.94 123.05 1rgq s ASN 80 Ca 0.05 -3.55 0.18 0.00 0.04 0.00 0.00 52.86 49.58 1rgq s ASN 80 Cb -0.16 -1.36 1.10 0.00 -1.54 0.00 0.00 41.25 39.29 1rgq s ASN 80 CO -0.11 -0.13 1.83 1.62 -3.04 0.00 0.00 177.10 177.27 1rgq h VAL 81 N 4.59 0.63 -0.02 -5.21 3.04 -1.94 -1.81 116.25 115.51 1rgq h VAL 81 Ca 0.14 -0.14 -0.22 0.00 -1.01 0.00 0.00 66.70 65.47 1rgq h VAL 81 Cb 0.81 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1rgq h VAL 81 CO 0.63 0.07 -0.91 0.44 -1.01 0.00 0.00 177.57 176.79 1rgq h ASP 82 N 0.40 0.61 -0.24 3.17 3.32 -1.93 -3.15 116.42 118.59 1rgq h ASP 82 Ca 0.51 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1rgq h ASP 82 Cb 1.30 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1rgq h ASP 82 CO -0.21 1.26 0.00 0.00 -1.72 0.00 0.00 179.24 178.57 1rgq n GLN 83 N -3.79 1.92 -3.48 3.56 6.02 -0.91 -4.94 117.38 115.76 1rgq n GLN 83 Ca -0.07 -1.39 -0.22 0.00 -0.01 0.00 0.00 57.00 55.31 1rgq n GLN 83 Cb 0.81 -1.41 0.07 0.00 1.02 0.00 0.00 30.24 30.74 1rgq n GLN 83 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1rgq n ASP 84 N 0.61 -6.08 -4.45 1.08 2.03 -0.82 -4.98 116.55 103.95 1rgq n ASP 84 Ca 0.16 -0.49 -0.29 0.00 0.52 0.00 0.00 54.79 54.69 1rgq n ASP 84 Cb 0.39 -4.71 -0.12 0.00 -0.72 0.00 0.00 41.12 35.96 1rgq n ASP 84 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1rgq s LEU 85 N -6.83 2.56 -0.03 -2.67 1.43 -0.75 -2.26 118.68 110.14 1rgq s LEU 85 Ca 0.53 -0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 1rgq s LEU 85 Cb -0.23 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.56 1rgq s LEU 85 CO 0.66 0.19 0.22 -0.69 0.23 0.00 0.00 176.35 176.95 1rgq s VAL 86 N -1.09 0.05 -0.12 -1.59 1.01 -0.81 -1.19 120.40 116.67 1rgq s VAL 86 Ca 0.16 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 1rgq s VAL 86 Cb -0.10 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.86 1rgq s VAL 86 CO 0.08 -0.22 0.32 -0.83 0.00 0.00 0.00 175.10 174.46 1rgq s GLY 87 N -0.84 -0.24 0.14 4.51 0.00 -0.42 -2.41 107.32 108.06 1rgq s GLY 87 Ca -0.09 0.89 0.05 0.00 0.00 0.00 0.00 44.72 45.57 1rgq s GLY 87 CO 0.02 0.76 -0.12 -0.98 0.00 0.00 0.00 173.10 172.77 1rgq s TRP 88 N 0.09 1.37 0.14 1.90 0.51 -0.81 0.37 118.94 122.51 1rgq s TRP 88 Ca -0.01 -0.64 -0.31 0.00 -2.12 0.00 0.00 56.10 53.02 1rgq s TRP 88 Cb -0.02 -0.70 -0.09 0.00 -0.81 0.00 0.00 33.47 31.85 1rgq s TRP 88 CO 0.01 0.14 1.51 -2.14 -0.51 0.00 0.00 176.95 175.96 1rgq s PRO 89 N -3.23 4.25 0.06 4.98 0.02 -1.26 -0.68 135.00 139.13 1rgq s PRO 89 Ca 0.14 2.25 -0.36 0.00 0.02 0.00 0.00 61.00 63.04 1rgq s PRO 89 Cb -0.01 -3.22 -0.16 0.00 0.02 0.00 0.00 34.50 31.12 1rgq s PRO 89 CO 0.02 -0.56 1.43 0.00 -0.33 0.00 0.00 177.00 177.57 1rgq n ALA 90 N 4.10 -0.45 -1.72 -1.55 0.00 -0.93 -4.62 120.51 115.34 1rgq n ALA 90 Ca 0.13 0.49 -0.39 0.00 0.00 0.00 0.00 53.44 53.67 1rgq n ALA 90 Cb 0.40 -2.15 0.04 0.00 0.00 0.00 0.00 19.45 17.74 1rgq n ALA 90 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1rgq n PRO 91 N 3.06 1.68 -1.76 0.00 -0.02 -1.26 -4.89 135.00 131.81 1rgq n PRO 91 Ca 0.19 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.86 1rgq n PRO 91 Cb 0.20 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 1rgq n PRO 91 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1rgq s GLN 92 N -2.70 3.70 0.00 -0.52 -1.52 -1.26 -1.89 119.66 115.48 1rgq s GLN 92 Ca 0.69 2.18 0.00 0.00 -1.95 0.00 0.00 55.36 56.28 1rgq s GLN 92 Cb -0.44 -4.21 0.00 0.00 -0.22 0.00 0.00 33.01 28.14 1rgq s GLN 92 CO 0.51 -1.44 0.00 0.41 -0.25 0.00 0.00 175.29 174.52 1rgq n GLY 93 N 5.00 1.71 3.84 3.09 0.00 -1.26 -4.33 105.19 113.23 1rgq n GLY 93 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1rgq n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rgq s SER 94 N -1.97 6.84 -0.07 1.61 1.04 -0.79 -4.24 113.70 116.13 1rgq s SER 94 Ca 0.00 1.48 -0.02 0.00 0.48 0.00 0.00 55.95 57.89 1rgq s SER 94 Cb 0.00 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1rgq s SER 94 CO 0.00 -0.29 0.03 -0.60 0.98 0.00 0.00 173.24 173.36 1rgq s ARG 95 N -3.11 3.03 0.08 4.02 3.52 -0.85 -4.96 118.95 120.68 1rgq s ARG 95 Ca 0.58 -0.41 0.02 0.00 -0.13 0.00 0.00 55.73 55.79 1rgq s ARG 95 Cb -0.10 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 1rgq s ARG 95 CO 0.16 0.70 0.14 -1.12 -0.81 0.00 0.00 175.30 174.36 1rgq s SER 96 N -1.12 5.86 0.07 -2.12 0.01 -1.26 -4.05 113.70 111.09 1rgq s SER 96 Ca 0.16 0.10 -0.07 0.00 1.31 0.00 0.00 55.95 57.44 1rgq s SER 96 Cb -0.12 -1.67 -0.05 0.00 0.21 0.00 0.00 66.02 64.39 1rgq s SER 96 CO 0.05 0.16 0.35 -0.76 0.41 0.00 0.00 173.24 173.46 1rgq s LEU 97 N -2.48 4.33 -0.01 2.44 1.43 -0.31 -4.88 118.68 119.20 1rgq s LEU 97 Ca 0.32 0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 53.91 1rgq s LEU 97 Cb -0.12 -2.98 -0.06 0.00 0.03 0.00 0.00 46.19 43.07 1rgq s LEU 97 CO 0.24 0.16 0.46 0.42 0.23 0.00 0.00 176.35 177.86 1rgq s THR 98 N -1.44 5.00 0.52 5.49 -4.23 -1.26 -3.29 115.64 116.43 1rgq s THR 98 Ca 0.33 0.94 -0.22 0.00 -1.18 0.00 0.00 61.69 61.57 1rgq s THR 98 Cb -0.13 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 69.88 1rgq s THR 98 CO 0.19 0.52 1.31 -2.84 -0.54 0.00 0.00 174.62 173.27 1rgq s PRO 99 N -0.75 3.30 0.27 3.99 0.02 -1.26 -2.33 135.00 138.23 1rgq s PRO 99 Ca 0.25 2.13 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 1rgq s PRO 99 Cb -0.17 -2.30 -0.10 0.00 0.02 0.00 0.00 34.50 31.95 1rgq s PRO 99 CO 0.14 -1.03 1.35 0.00 -0.33 0.00 0.00 177.00 177.13 1rgq n THR 101 N 1.80 0.00 0.56 0.00 -2.24 -1.26 -4.78 114.28 108.36 1rgq n THR 101 Ca 0.04 -0.37 0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1rgq n THR 101 Cb 0.42 1.14 0.33 0.00 -2.10 0.00 0.00 70.33 70.12 1rgq n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rgq n GLY 103 N 1.29 0.62 3.66 0.00 0.00 -1.26 -5.00 105.19 104.50 1rgq n GLY 103 Ca 0.05 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1rgq n GLY 103 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rgq n SER 104 N -0.41 1.06 -0.45 1.61 2.88 -1.26 -4.98 113.62 112.07 1rgq n SER 104 Ca -0.05 0.70 0.05 0.00 -1.33 0.00 0.00 58.87 58.24 1rgq n SER 104 Cb 0.35 -1.47 0.09 0.00 -0.75 0.00 0.00 64.21 62.42 1rgq n SER 104 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1rgq n SER 105 N -2.07 2.30 -4.32 -3.46 3.41 -1.26 -4.84 113.62 103.38 1rgq n SER 105 Ca 0.14 -1.72 -0.47 0.00 -0.26 0.00 0.00 58.87 56.56 1rgq n SER 105 Cb 0.49 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 1rgq n SER 105 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1rgq s ASP 106 N -0.89 6.62 0.25 4.04 1.11 -1.26 -1.05 116.67 125.49 1rgq s ASP 106 Ca 0.15 -2.48 0.00 0.00 0.18 0.00 0.00 52.55 50.41 1rgq s ASP 106 Cb 0.09 -2.21 -0.04 0.00 1.07 0.00 0.00 42.92 41.83 1rgq s ASP 106 CO 0.12 -0.64 0.43 -0.76 1.18 0.00 0.00 175.17 175.50 1rgq s LEU 107 N 0.51 4.19 -0.13 1.23 1.43 0.11 -3.96 118.68 122.07 1rgq s LEU 107 Ca 0.14 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.59 1rgq s LEU 107 Cb -0.15 -3.16 0.04 0.00 0.03 0.00 0.00 46.19 42.95 1rgq s LEU 107 CO -0.06 -0.11 0.01 -0.31 0.23 0.00 0.00 176.35 176.11 1rgq s TYR 108 N -2.00 0.84 -0.03 0.29 1.51 0.14 -0.22 117.35 117.88 1rgq s TYR 108 Ca 0.38 -0.48 -0.21 0.00 -1.01 0.00 0.00 57.07 55.75 1rgq s TYR 108 Cb -0.10 -0.91 -0.05 0.00 -0.11 0.00 0.00 41.96 40.79 1rgq s TYR 108 CO 0.31 -0.46 0.62 -1.17 -1.11 0.00 0.00 175.55 173.74 1rgq s LEU 109 N 1.92 4.37 -0.23 -1.29 0.20 -0.24 -0.42 118.68 122.98 1rgq s LEU 109 Ca 0.02 1.14 -0.08 0.00 0.69 0.00 0.00 54.13 55.90 1rgq s LEU 109 Cb -0.14 -2.95 -0.04 0.00 -0.43 0.00 0.00 46.19 42.63 1rgq s LEU 109 CO -0.07 0.03 0.09 -0.69 -0.29 0.00 0.00 176.35 175.42 1rgq s VAL 110 N 0.19 4.68 0.77 1.68 1.01 -0.97 -0.66 120.40 127.10 1rgq s VAL 110 Ca 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1rgq s VAL 110 Cb -0.18 -3.17 0.16 0.00 0.00 0.00 0.00 36.38 33.19 1rgq s VAL 110 CO 0.17 0.36 1.06 0.42 0.00 0.00 0.00 175.10 177.11 1rgq s THR 111 N 1.25 2.00 -0.12 3.92 -4.23 -0.88 -4.37 115.64 113.21 1rgq s THR 111 Ca 0.05 -0.56 0.28 0.00 -1.18 0.00 0.00 61.69 60.28 1rgq s THR 111 Cb -0.14 -2.44 0.35 0.00 1.34 0.00 0.00 72.50 71.60 1rgq s THR 111 CO 0.04 0.00 1.81 0.08 -0.54 0.00 0.00 174.62 176.01 1rgq h ARG 112 N -0.73 0.00 -0.01 3.99 0.11 -1.90 -2.72 114.38 113.12 1rgq h ARG 112 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1rgq h ARG 112 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1rgq h ARG 112 CO 0.36 0.03 -0.06 0.72 0.10 0.00 0.00 179.97 181.12 1rgq n HIS 113 N -3.12 0.00 -2.83 4.08 8.25 -1.26 -4.93 115.22 115.41 1rgq n HIS 113 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 1rgq n HIS 113 Cb 0.42 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.50 1rgq n HIS 113 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rgq n ALA 114 N -0.46 -0.62 -2.89 -1.41 0.00 -1.03 -4.79 120.51 109.31 1rgq n ALA 114 Ca 0.18 0.19 -0.29 0.00 0.00 0.00 0.00 53.44 53.52 1rgq n ALA 114 Cb 0.28 -2.76 -0.04 0.00 0.00 0.00 0.00 19.45 16.93 1rgq n ALA 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rgq s ASP 115 N -2.94 6.12 -0.34 0.00 1.01 -1.26 -4.42 116.67 114.84 1rgq s ASP 115 Ca 0.23 0.16 -0.02 0.00 0.71 0.00 0.00 52.55 53.62 1rgq s ASP 115 Cb -0.10 -1.81 0.07 0.00 1.01 0.00 0.00 42.92 42.10 1rgq s ASP 115 CO 0.28 0.13 0.07 -0.69 0.21 0.00 0.00 175.17 175.17 1rgq s VAL 116 N -1.56 3.03 -0.15 -1.27 1.01 -1.26 -2.06 120.40 118.13 1rgq s VAL 116 Ca 0.33 -1.66 -0.17 0.00 0.00 0.00 0.00 61.98 60.48 1rgq s VAL 116 Cb -0.12 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1rgq s VAL 116 CO 0.27 -0.32 0.42 -0.63 0.00 0.00 0.00 175.10 174.83 1rgq s ILE 117 N 1.19 5.21 -0.01 2.22 1.01 0.17 -4.89 121.20 126.10 1rgq s ILE 117 Ca 0.00 0.80 -0.30 0.00 0.00 0.00 0.00 60.65 61.15 1rgq s ILE 117 Cb -0.21 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1rgq s ILE 117 CO -0.03 0.31 1.29 -2.84 0.00 0.00 0.00 174.94 173.67 1rgq s PRO 118 N 0.82 4.34 -0.01 2.79 0.02 -1.26 -1.08 135.00 140.61 1rgq s PRO 118 Ca 0.22 1.82 0.05 0.00 0.02 0.00 0.00 61.00 63.11 1rgq s PRO 118 Cb -0.15 -3.52 -0.01 0.00 0.02 0.00 0.00 34.50 30.85 1rgq s PRO 118 CO 0.08 -0.47 -0.17 0.08 -0.33 0.00 0.00 177.00 176.19 1rgq s VAL 119 N 2.05 1.34 -0.16 3.83 1.01 0.69 -2.73 120.40 126.43 1rgq s VAL 119 Ca 0.60 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1rgq s VAL 119 Cb -0.29 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1rgq s VAL 119 CO 0.25 0.38 -0.05 -0.60 0.00 0.00 0.00 175.10 175.08 1rgq s ARG 120 N -0.40 3.59 0.02 2.72 3.00 -0.18 0.10 118.95 127.79 1rgq s ARG 120 Ca 0.07 -0.56 -0.30 0.00 -1.00 0.00 0.00 55.73 53.94 1rgq s ARG 120 Cb -0.07 -2.90 -0.06 0.00 0.00 0.00 0.00 34.95 31.92 1rgq s ARG 120 CO -0.01 0.16 1.43 0.50 0.00 0.00 0.00 175.30 177.38 1rgq s ARG 121 N 0.56 4.28 -0.24 5.12 3.52 -0.22 -0.08 118.95 131.89 1rgq s ARG 121 Ca -0.04 2.01 0.12 0.00 -0.13 0.00 0.00 55.73 57.69 1rgq s ARG 121 Cb -0.15 -3.55 0.45 0.00 -1.56 0.00 0.00 34.95 30.15 1rgq s ARG 121 CO 0.03 -0.58 1.19 0.54 -0.81 0.00 0.00 175.30 175.66 1rgq n ARG 122 N 5.28 2.51 -2.28 5.12 5.12 0.47 -4.91 116.66 127.96 1rgq n ARG 122 Ca 0.13 -3.67 0.00 0.00 -1.93 0.00 0.00 57.85 52.38 1rgq n ARG 122 Cb 0.43 -1.83 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 1rgq n ARG 122 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rgq n GLY 123 N -0.73 -0.19 0.16 -0.13 0.00 -1.12 -4.73 105.19 98.44 1rgq n GLY 123 Ca 0.29 -1.50 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 1rgq n GLY 123 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1rgq h ASP 124 N 0.00 0.64 0.00 1.61 3.58 -2.01 -3.37 116.42 116.88 1rgq h ASP 124 Ca 0.00 -0.76 -0.01 0.00 0.42 0.00 0.00 57.03 56.68 1rgq h ASP 124 Cb 0.00 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 1rgq h ASP 124 CO 0.00 1.32 -0.28 -1.54 -2.88 0.00 0.00 179.24 175.86 1rgq n SER 125 N -4.11 1.71 -4.07 2.28 3.41 -1.26 -4.72 113.62 106.86 1rgq n SER 125 Ca -0.11 -3.02 -0.18 0.00 -0.26 0.00 0.00 58.87 55.31 1rgq n SER 125 Cb 0.74 -0.40 -0.14 0.00 -0.26 0.00 0.00 64.21 64.15 1rgq n SER 125 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1rgq s ARG 126 N -2.27 0.76 0.04 4.33 1.81 -1.26 -1.61 118.95 120.75 1rgq s ARG 126 Ca 0.28 -0.57 -0.16 0.00 -1.72 0.00 0.00 55.73 53.57 1rgq s ARG 126 Cb 0.26 -0.71 0.03 0.00 -0.45 0.00 0.00 34.95 34.08 1rgq s ARG 126 CO -0.01 0.18 0.35 0.20 -0.68 0.00 0.00 175.30 175.34 1rgq s GLY 127 N -0.83 -0.19 0.01 -3.53 0.00 -0.82 -0.40 107.32 101.56 1rgq s GLY 127 Ca 0.00 0.15 0.07 0.00 0.00 0.00 0.00 44.72 44.94 1rgq s GLY 127 CO 0.00 -0.09 -0.21 -1.35 0.00 0.00 0.00 173.10 171.45 1rgq s SER 128 N -2.03 3.51 0.19 1.64 1.04 0.89 -0.35 113.70 118.59 1rgq s SER 128 Ca -0.05 -0.42 -0.30 0.00 0.48 0.00 0.00 55.95 55.66 1rgq s SER 128 Cb -0.01 -0.52 -0.08 0.00 0.10 0.00 0.00 66.02 65.51 1rgq s SER 128 CO -0.03 0.29 1.05 -0.76 0.98 0.00 0.00 173.24 174.77 1rgq s LEU 129 N -1.01 4.53 0.39 2.42 1.43 0.60 -1.01 118.68 126.02 1rgq s LEU 129 Ca 0.12 2.04 0.26 0.00 -1.03 0.00 0.00 54.13 55.52 1rgq s LEU 129 Cb -0.10 -3.61 0.67 0.00 0.03 0.00 0.00 46.19 43.18 1rgq s LEU 129 CO 0.02 -0.12 1.72 -0.07 0.23 0.00 0.00 176.35 178.13 1rgq h LEU 130 N 4.84 0.00 -7.00 1.79 4.07 -1.83 -3.40 115.31 113.79 1rgq h LEU 130 Ca -0.45 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.02 1rgq h LEU 130 Cb 1.21 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 42.55 1rgq h LEU 130 CO 0.71 0.00 -0.76 -0.44 -1.08 0.00 0.00 178.44 176.87 1rgq s SER 131 N -5.58 2.93 0.24 -0.43 0.01 -1.26 -5.13 113.70 104.48 1rgq s SER 131 Ca 0.07 -0.93 -0.31 0.00 1.31 0.00 0.00 55.95 56.08 1rgq s SER 131 Cb 0.08 -0.37 -0.12 0.00 0.21 0.00 0.00 66.02 65.82 1rgq s SER 131 CO 0.61 -0.38 1.69 -0.81 0.41 0.00 0.00 173.24 174.76 1rgq n PRO 132 N 5.21 2.77 -4.45 12.44 -0.04 -1.26 -5.02 135.00 144.65 1rgq n PRO 132 Ca -0.07 0.99 -0.23 0.00 -0.04 0.00 0.00 63.50 64.15 1rgq n PRO 132 Cb 0.46 -2.82 -0.10 0.00 -0.04 0.00 0.00 33.50 30.99 1rgq n PRO 132 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1rgq s ARG 133 N 0.59 1.61 0.47 0.54 0.52 -1.08 -4.94 118.95 116.67 1rgq s ARG 133 Ca 0.71 -1.72 -0.22 0.00 -0.52 0.00 0.00 55.73 53.98 1rgq s ARG 133 Cb -0.50 -1.68 -0.07 0.00 0.52 0.00 0.00 34.95 33.22 1rgq s ARG 133 CO 0.38 0.31 1.14 -1.25 0.02 0.00 0.00 175.30 175.90 1rgq s PRO 134 N -3.46 3.70 0.54 3.54 0.04 -1.26 -0.38 135.00 137.73 1rgq s PRO 134 Ca 0.28 1.70 0.25 0.00 0.04 0.00 0.00 61.00 63.27 1rgq s PRO 134 Cb -0.05 -2.31 1.42 0.00 0.04 0.00 0.00 34.50 33.60 1rgq s PRO 134 CO 0.13 -0.58 2.02 0.97 0.04 0.00 0.00 177.00 179.59 1rgq h ILE 135 N 1.73 0.71 -0.47 0.56 2.10 -1.46 -2.55 117.51 118.14 1rgq h ILE 135 Ca -0.49 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.43 1rgq h ILE 135 Cb 1.25 0.78 -0.02 0.00 -1.09 0.00 0.00 36.82 37.73 1rgq h ILE 135 CO 0.60 0.00 0.21 0.77 -1.08 0.00 0.00 178.15 178.65 1rgq h SER 136 N 0.00 0.59 -0.61 2.19 4.64 -1.92 -2.90 113.55 115.54 1rgq h SER 136 Ca 0.20 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 1rgq h SER 136 Cb 0.82 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.73 1rgq h SER 136 CO -0.00 0.52 0.28 0.22 -0.87 0.00 0.00 176.83 176.97 1rgq h TYR 137 N 0.66 0.89 0.00 4.77 3.20 -1.84 -2.97 116.97 121.68 1rgq h TYR 137 Ca 0.16 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1rgq h TYR 137 Cb 0.10 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.09 1rgq h TYR 137 CO 0.01 0.69 0.00 1.28 -1.64 0.00 0.00 178.16 178.50 1rgq n LEU 138 N -4.50 0.80 -4.75 2.82 7.99 -1.11 -4.84 117.00 113.43 1rgq n LEU 138 Ca 0.04 0.60 -0.41 0.00 -0.01 0.00 0.00 56.01 56.23 1rgq n LEU 138 Cb 0.14 -0.38 -0.03 0.00 -0.11 0.00 0.00 43.42 43.04 1rgq n LEU 138 CO 0.38 -0.28 1.04 -0.54 -1.51 0.00 0.00 177.39 176.49 1rgq s LYS 139 N -3.16 4.32 0.00 3.23 -0.14 -1.12 -2.48 119.74 120.39 1rgq s LYS 139 Ca 0.09 2.20 0.00 0.00 -1.36 0.00 0.00 55.97 56.90 1rgq s LYS 139 Cb 0.11 -3.13 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 1rgq s LYS 139 CO 0.55 -0.33 0.00 0.41 -0.76 0.00 0.00 175.35 175.22 1rgq n GLY 140 N 2.04 0.78 0.87 -3.33 0.00 -1.26 -4.92 105.19 99.37 1rgq n GLY 140 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 1rgq n GLY 140 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rgq n SER 141 N 0.00 3.07 -4.69 1.61 7.64 -1.04 -3.87 113.62 116.34 1rgq n SER 141 Ca 0.00 -1.90 -0.42 0.00 1.01 0.00 0.00 58.87 57.56 1rgq n SER 141 Cb 0.00 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 1rgq n SER 141 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1rgq s SER 142 N -1.15 6.81 0.00 6.43 1.04 -1.26 -1.97 113.70 123.60 1rgq s SER 142 Ca 0.30 2.18 0.00 0.00 0.48 0.00 0.00 55.95 58.91 1rgq s SER 142 Cb 0.17 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1rgq s SER 142 CO 0.23 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1rgq n GLY 143 N 3.71 0.63 3.82 7.32 0.00 0.17 -1.18 105.19 119.66 1rgq n GLY 143 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1rgq n GLY 143 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rgq s GLY 144 N -1.04 1.82 0.32 -0.02 0.00 -0.83 -3.39 107.32 104.17 1rgq s GLY 144 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 44.72 44.76 1rgq s GLY 144 CO 0.00 0.47 0.69 2.56 0.00 0.00 0.00 173.10 176.81 1rgq s PRO 145 N -4.73 3.86 -0.23 2.90 0.04 -1.26 -0.21 135.00 135.36 1rgq s PRO 145 Ca 0.59 0.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.06 1rgq s PRO 145 Cb -0.14 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1rgq s PRO 145 CO 0.48 0.14 -0.04 -0.51 0.04 0.00 0.00 177.00 177.12 1rgq s LEU 146 N -3.24 3.05 0.13 -3.56 1.02 0.19 -2.30 118.68 113.97 1rgq s LEU 146 Ca 0.51 -0.57 0.05 0.00 0.02 0.00 0.00 54.13 54.13 1rgq s LEU 146 Cb -0.10 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.34 1rgq s LEU 146 CO 0.23 -0.07 0.08 -0.76 0.02 0.00 0.00 176.35 175.85 1rgq s LEU 147 N 1.43 3.67 0.59 1.79 1.43 0.44 -0.38 118.68 127.65 1rgq s LEU 147 Ca 0.04 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1rgq s LEU 147 Cb -0.15 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 43.79 1rgq s LEU 147 CO -0.03 0.12 0.83 0.00 0.23 0.00 0.00 176.35 177.49 1rgq h PRO 149 N -0.08 0.00 0.00 0.00 0.11 -1.92 0.83 132.00 130.95 1rgq h PRO 149 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1rgq h PRO 149 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1rgq h PRO 149 CO 0.51 0.00 -0.62 0.00 -0.21 0.00 0.00 178.00 177.68 1rgq h ALA 150 N 1.24 0.61 0.00 -0.75 0.00 -1.92 -3.47 119.26 114.99 1rgq h ALA 150 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rgq h ALA 150 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1rgq h ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1rgq n GLY 151 N 1.29 0.84 3.89 0.00 0.00 0.29 -2.97 105.19 108.53 1rgq n GLY 151 Ca 0.03 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1rgq n GLY 151 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rgq s HIS 152 N -2.00 3.50 -0.04 1.61 3.76 -1.26 -3.09 115.29 117.77 1rgq s HIS 152 Ca 0.00 0.57 -0.30 0.00 -0.15 0.00 0.00 55.06 55.19 1rgq s HIS 152 Cb 0.00 -2.01 -0.05 0.00 1.11 0.00 0.00 32.58 31.62 1rgq s HIS 152 CO 0.00 0.47 1.56 0.00 -0.85 0.00 0.00 174.74 175.92 1rgq s ALA 153 N -1.58 3.63 -0.23 -1.40 0.00 -0.99 -1.62 121.76 119.57 1rgq s ALA 153 Ca 0.38 0.90 0.05 0.00 0.00 0.00 0.00 51.96 53.30 1rgq s ALA 153 Cb -0.13 -3.70 -0.18 0.00 0.00 0.00 0.00 23.12 19.12 1rgq s ALA 153 CO 0.23 -1.25 -0.15 0.28 0.00 0.00 0.00 175.76 174.87 1rgq n VAL 154 N 5.23 1.37 -3.72 0.00 0.31 0.49 -1.01 118.33 121.01 1rgq n VAL 154 Ca 0.16 -0.60 0.04 0.00 -0.01 0.00 0.00 64.34 63.93 1rgq n VAL 154 Cb 0.43 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 1rgq n VAL 154 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1rgq s GLY 155 N -6.12 -0.38 -0.12 2.92 0.00 -1.16 -1.49 107.32 100.97 1rgq s GLY 155 Ca -0.27 0.63 -0.01 0.00 0.00 0.00 0.00 44.72 45.06 1rgq s GLY 155 CO 0.61 2.29 -0.06 1.08 0.00 0.00 0.00 173.10 177.02 1rgq s LEU 156 N -3.30 3.13 0.04 0.66 1.02 0.09 0.55 118.68 120.85 1rgq s LEU 156 Ca 0.20 -0.13 -0.30 0.00 0.02 0.00 0.00 54.13 53.92 1rgq s LEU 156 Cb 0.05 -1.72 -0.08 0.00 0.02 0.00 0.00 46.19 44.46 1rgq s LEU 156 CO -0.05 0.24 1.76 0.12 0.02 0.00 0.00 176.35 178.43 1rgq s PHE 157 N -0.05 1.98 -0.04 0.29 5.36 0.70 -0.97 117.98 125.26 1rgq s PHE 157 Ca 0.00 0.04 -0.08 0.00 -0.96 0.00 0.00 56.93 55.93 1rgq s PHE 157 Cb -0.13 -4.05 -0.03 0.00 -0.34 0.00 0.00 43.02 38.47 1rgq s PHE 157 CO 0.03 -4.43 -0.16 -2.13 -1.46 0.00 0.00 175.22 167.07 1rgq n ARG 158 N 6.50 0.25 -4.06 10.12 0.63 -0.50 -0.65 116.66 128.94 1rgq n ARG 158 Ca 0.17 0.10 -0.07 0.00 -0.92 0.00 0.00 57.85 57.13 1rgq n ARG 158 Cb 0.41 -0.93 -0.10 0.00 0.45 0.00 0.00 32.46 32.29 1rgq n ARG 158 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1rgq s ALA 159 N -2.41 0.43 0.00 5.13 0.00 -0.65 -4.90 121.76 119.36 1rgq s ALA 159 Ca -0.14 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 50.76 1rgq s ALA 159 Cb 0.02 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1rgq s ALA 159 CO 0.20 -0.37 -0.19 0.00 0.00 0.00 0.00 175.76 175.40 1rgq s ALA 160 N -3.80 2.53 -0.50 0.00 0.00 -1.26 0.68 121.76 119.41 1rgq s ALA 160 Ca 0.06 -1.12 -0.22 0.00 0.00 0.00 0.00 51.96 50.68 1rgq s ALA 160 Cb 0.07 -0.76 0.04 0.00 0.00 0.00 0.00 23.12 22.47 1rgq s ALA 160 CO -0.10 0.56 0.77 0.08 0.00 0.00 0.00 175.76 177.07 1rgq s VAL 161 N -0.81 4.66 -0.26 0.00 1.01 0.26 -4.94 120.40 120.32 1rgq s VAL 161 Ca 0.13 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1rgq s VAL 161 Cb -0.10 -4.36 0.02 0.00 0.00 0.00 0.00 36.38 31.93 1rgq s VAL 161 CO 0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 175.10 174.27 1rgq s THR 163 N 1.41 2.73 0.00 0.00 -4.23 -0.73 -4.72 115.64 110.10 1rgq s THR 163 Ca 0.02 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1rgq s THR 163 Cb -0.16 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1rgq s THR 163 CO -0.02 0.48 0.00 0.54 -0.54 0.00 0.00 174.62 175.08 1rgq n ARG 164 N 4.68 -0.72 0.00 3.99 1.74 -1.26 -2.17 116.66 122.92 1rgq n ARG 164 Ca -0.20 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1rgq n ARG 164 Cb 0.50 -4.30 0.00 0.00 -1.02 0.00 0.00 32.46 27.64 1rgq n ARG 164 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rgq n GLY 165 N -1.02 0.90 3.46 -0.13 0.00 -1.26 -5.09 105.19 102.04 1rgq n GLY 165 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1rgq n GLY 165 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rgq s VAL 166 N -2.00 2.93 -0.21 1.61 -7.23 -0.92 -1.14 120.40 113.43 1rgq s VAL 166 Ca 0.00 -0.85 -0.06 0.00 -1.81 0.00 0.00 61.98 59.26 1rgq s VAL 166 Cb 0.00 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1rgq s VAL 166 CO 0.00 0.54 0.04 0.42 -0.31 0.00 0.00 175.10 175.79 1rgq s THR 167 N -0.76 4.25 -0.21 5.32 -4.23 0.49 -1.77 115.64 118.72 1rgq s THR 167 Ca 0.12 -0.21 0.12 0.00 -1.18 0.00 0.00 61.69 60.54 1rgq s THR 167 Cb -0.11 -2.94 -0.21 0.00 1.34 0.00 0.00 72.50 70.58 1rgq s THR 167 CO 0.01 0.40 -0.04 0.29 -0.54 0.00 0.00 174.62 174.75 1rgq n LYS 168 N 4.33 0.75 -4.27 3.99 5.02 -1.18 -2.62 118.16 124.18 1rgq n LYS 168 Ca -0.17 0.05 -0.17 0.00 -2.02 0.00 0.00 58.31 56.00 1rgq n LYS 168 Cb 0.52 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.92 1rgq n LYS 168 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rgq s ALA 169 N -2.48 1.62 0.14 7.82 0.00 -1.26 -0.29 121.76 127.31 1rgq s ALA 169 Ca -0.19 -1.42 0.10 0.00 0.00 0.00 0.00 51.96 50.45 1rgq s ALA 169 Cb 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1rgq s ALA 169 CO 0.72 0.06 -0.23 0.14 0.00 0.00 0.00 175.76 176.44 1rgq s VAL 170 N -2.56 2.04 -0.10 0.00 -7.23 0.53 -0.57 120.40 112.50 1rgq s VAL 170 Ca 0.14 -1.78 0.03 0.00 -1.81 0.00 0.00 61.98 58.56 1rgq s VAL 170 Cb -0.02 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 1rgq s VAL 170 CO 0.03 -0.07 -0.20 -0.62 -0.31 0.00 0.00 175.10 173.93 1rgq s ASP 171 N -2.25 3.42 0.34 4.85 -1.08 0.22 -1.95 116.67 120.22 1rgq s ASP 171 Ca 0.13 -0.46 0.03 0.00 -0.52 0.00 0.00 52.55 51.74 1rgq s ASP 171 Cb -0.09 -1.35 -0.04 0.00 -1.46 0.00 0.00 42.92 39.97 1rgq s ASP 171 CO 0.06 0.18 0.10 0.72 0.52 0.00 0.00 175.17 176.76 1rgq s PHE 172 N 0.21 1.79 -0.29 -5.34 -0.71 -0.64 -1.41 117.98 111.59 1rgq s PHE 172 Ca -0.13 -1.16 -0.05 0.00 -1.04 0.00 0.00 56.93 54.55 1rgq s PHE 172 Cb -0.16 -1.13 0.02 0.00 -1.21 0.00 0.00 43.02 40.54 1rgq s PHE 172 CO 0.07 -0.22 0.05 0.42 -1.34 0.00 0.00 175.22 174.19 1rgq s ILE 173 N -3.37 3.63 0.53 -4.49 1.01 -0.14 -4.73 121.20 113.63 1rgq s ILE 173 Ca 0.32 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1rgq s ILE 173 Cb 0.06 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.56 1rgq s ILE 173 CO 0.15 0.07 1.04 -2.16 0.00 0.00 0.00 174.94 174.04 1rgq s PRO 174 N 1.43 3.63 0.56 2.79 0.04 -1.26 -0.73 135.00 141.46 1rgq s PRO 174 Ca 0.01 1.29 0.29 0.00 0.04 0.00 0.00 61.00 62.63 1rgq s PRO 174 Cb -0.17 -2.07 1.46 0.00 0.04 0.00 0.00 34.50 33.76 1rgq s PRO 174 CO 0.01 -0.56 1.93 -0.39 0.04 0.00 0.00 177.00 178.02 1rgq h VAL 175 N 1.13 0.52 0.00 -0.36 -1.51 -1.58 -0.66 116.25 113.80 1rgq h VAL 175 Ca -0.48 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 64.93 1rgq h VAL 175 Cb 1.22 0.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 1rgq h VAL 175 CO 0.59 0.00 -0.26 1.05 -1.23 0.00 0.00 177.57 177.71 1rgq h GLU 176 N 0.00 0.00 0.00 5.19 9.09 -1.93 -2.27 114.58 124.66 1rgq h GLU 176 Ca 0.29 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.62 1rgq h GLU 176 Cb 1.28 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.37 1rgq h GLU 176 CO -0.00 0.26 -0.34 -0.91 0.05 0.00 0.00 179.01 178.07 1rgq h ASN 177 N 0.00 0.00 -0.02 3.06 4.21 -1.49 -2.64 115.58 118.70 1rgq h ASN 177 Ca -0.00 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.45 1rgq h ASN 177 Cb 0.70 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1rgq h ASN 177 CO 0.03 0.34 -0.19 -0.07 -1.29 0.00 0.00 177.43 176.25 1rgq h LEU 178 N 0.00 0.21 -1.74 1.61 3.38 -1.47 -2.98 115.31 114.32 1rgq h LEU 178 Ca -0.00 -0.70 -0.04 0.00 0.09 0.00 0.00 57.88 57.23 1rgq h LEU 178 Cb 0.92 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1rgq h LEU 178 CO 0.04 0.88 -0.17 -0.08 0.09 0.00 0.00 178.44 179.20 1rgq h GLU 179 N -0.44 0.00 0.00 1.13 4.57 -1.45 -1.24 114.58 117.15 1rgq h GLU 179 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1rgq h GLU 179 Cb 0.89 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1rgq h GLU 179 CO 0.04 0.17 -0.37 1.79 -1.18 0.00 0.00 179.01 179.46 1rgq h THR 180 N 0.00 0.00 0.00 0.32 1.35 -1.54 -2.27 112.91 110.76 1rgq h THR 180 Ca -0.00 -0.54 -0.19 0.00 -0.55 0.00 0.00 66.41 65.13 1rgq h THR 180 Cb 0.35 1.30 -0.03 0.00 -1.73 0.00 0.00 68.15 68.05 1rgq h THR 180 CO 0.02 0.00 -1.01 0.74 -0.25 0.00 0.00 175.52 175.02 1rgq h THR 181 N 0.00 1.21 -0.08 6.82 2.02 -1.10 -2.37 112.91 119.41 1rgq h THR 181 Ca 0.00 -2.82 -0.22 0.00 0.77 0.00 0.00 66.41 64.14 1rgq h THR 181 Cb 0.77 2.57 0.01 0.00 -1.74 0.00 0.00 68.15 69.76 1rgq h THR 181 CO 0.00 0.69 -0.84 0.24 0.37 0.00 0.00 175.52 175.98 1rgq h MET 182 N 0.00 0.60 0.00 6.66 2.07 -1.17 -3.27 114.93 119.82 1rgq h MET 182 Ca -0.07 -0.54 0.00 0.00 -2.07 0.00 0.00 59.70 57.03 1rgq h MET 182 Cb 1.68 0.13 0.00 0.00 -1.87 0.00 0.00 31.60 31.53 1rgq h MET 182 CO 0.09 1.16 -0.27 0.54 1.07 0.00 0.00 176.91 179.50 1rgq n ARG 183 N -3.86 0.27 0.00 1.72 1.74 -0.87 -4.64 116.66 111.02 1rgq n ARG 183 Ca -0.07 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1rgq n ARG 183 Cb 0.77 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1rgq n ARG 183 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1rgq n SER 184 N -2.19 0.00 0.00 0.55 3.41 -0.89 -5.08 113.62 109.42 1rgq n SER 184 Ca 0.05 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1rgq n SER 184 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1rgq n SER 184 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rgq n GLY 185 N 1.86 -1.81 0.63 5.00 0.00 -1.26 -5.12 105.19 104.50 1rgq n GLY 185 Ca 0.00 0.59 0.08 0.00 0.00 0.00 0.00 46.02 46.69 1rgq n GLY 185 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18