#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a4r s GLU 30 N 0.00 1.80 0.07 5.55 2.02 -1.26 -4.92 118.70 121.95 2a4r s GLU 30 Ca 0.00 -1.13 0.03 0.00 0.02 0.00 0.00 54.97 53.89 2a4r s GLU 30 Cb 0.00 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 2a4r s GLU 30 CO 0.00 0.50 0.04 0.20 0.02 0.00 0.00 175.26 176.02 2a4r s GLY 31 N -1.67 1.96 -0.05 -1.39 0.00 0.26 -4.71 107.32 101.72 2a4r s GLY 31 Ca 0.14 -1.03 0.13 0.00 0.00 0.00 0.00 44.72 43.97 2a4r s GLY 31 CO 0.06 -0.99 0.62 1.18 0.00 0.00 0.00 173.10 173.97 2a4r n GLU 32 N 0.69 0.64 -4.34 2.90 4.71 -1.25 -0.55 120.64 123.43 2a4r n GLU 32 Ca -0.11 0.27 -0.34 0.00 -0.01 0.00 0.00 57.16 56.98 2a4r n GLU 32 Cb 0.52 -1.77 -0.14 0.00 -1.01 0.00 0.00 31.44 29.03 2a4r n GLU 32 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2a4r s VAL 33 N -2.60 3.16 -0.16 2.62 1.01 -1.26 -0.85 120.40 122.31 2a4r s VAL 33 Ca -0.05 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2a4r s VAL 33 Cb 0.08 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2a4r s VAL 33 CO 0.83 0.48 0.10 -1.10 0.00 0.00 0.00 175.10 175.40 2a4r s GLN 34 N 0.88 3.83 -0.45 2.72 1.11 -0.31 -4.95 119.66 122.49 2a4r s GLN 34 Ca -0.02 -0.26 -0.21 0.00 0.01 0.00 0.00 55.36 54.88 2a4r s GLN 34 Cb -0.15 -3.24 0.03 0.00 -1.01 0.00 0.00 33.01 28.64 2a4r s GLN 34 CO 0.00 0.44 0.67 0.42 0.01 0.00 0.00 175.29 176.83 2a4r s ILE 35 N -0.08 4.79 0.31 1.08 1.01 -1.26 -1.01 121.20 126.04 2a4r s ILE 35 Ca 0.08 0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.92 2a4r s ILE 35 Cb -0.12 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 2a4r s ILE 35 CO 0.01 -0.65 0.22 0.68 0.00 0.00 0.00 174.94 175.20 2a4r s VAL 36 N 2.90 3.64 -0.02 2.92 -7.23 -0.14 -4.98 120.40 117.48 2a4r s VAL 36 Ca 0.23 -1.48 -0.08 0.00 -1.81 0.00 0.00 61.98 58.84 2a4r s VAL 36 Cb -0.14 -3.17 0.01 0.00 0.56 0.00 0.00 36.38 33.64 2a4r s VAL 36 CO 0.19 -0.23 0.17 -0.44 -0.31 0.00 0.00 175.10 174.48 2a4r s SER 37 N -3.91 -0.07 0.35 4.85 0.01 -1.26 -0.71 113.70 112.96 2a4r s SER 37 Ca 0.38 0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.69 2a4r s SER 37 Cb -0.06 0.28 -0.06 0.00 0.21 0.00 0.00 66.02 66.39 2a4r s SER 37 CO 0.25 -0.28 0.05 0.28 0.41 0.00 0.00 173.24 173.95 2a4r s THR 38 N -0.92 1.31 0.21 1.44 -1.32 0.62 -4.98 115.64 112.00 2a4r s THR 38 Ca -0.10 -2.00 -0.09 0.00 -1.21 0.00 0.00 61.69 58.29 2a4r s THR 38 Cb -0.05 -2.79 0.15 0.00 -1.51 0.00 0.00 72.50 68.29 2a4r s THR 38 CO 0.01 0.00 1.75 0.00 -2.21 0.00 0.00 174.62 174.18 2a4r h ALA 39 N 2.01 0.81 0.43 11.08 0.00 -2.01 -3.20 119.26 128.37 2a4r h ALA 39 Ca -0.41 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2a4r h ALA 39 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2a4r h ALA 39 CO 0.71 -0.16 -0.21 1.15 0.00 0.00 0.00 179.25 180.74 2a4r h THR 40 N 0.44 0.00 -4.49 0.00 2.02 -1.96 -3.48 112.91 105.44 2a4r h THR 40 Ca 0.31 -0.29 -0.31 0.00 0.77 0.00 0.00 66.41 66.89 2a4r h THR 40 Cb 0.36 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.65 2a4r h THR 40 CO -0.29 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 175.19 2a4r s GLN 41 N -3.60 1.61 0.08 6.66 0.00 -1.21 -5.16 119.66 118.04 2a4r s GLN 41 Ca -0.08 -1.76 0.07 0.00 -0.00 0.00 0.00 55.36 53.59 2a4r s GLN 41 Cb 0.01 0.35 -0.04 0.00 0.00 0.00 0.00 33.01 33.33 2a4r s GLN 41 CO 0.25 -0.61 -0.12 -0.08 0.00 0.00 0.00 175.29 174.73 2a4r s THR 42 N -3.61 3.22 0.00 3.63 -1.32 -1.26 -0.28 115.64 116.02 2a4r s THR 42 Ca 0.36 -1.24 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 2a4r s THR 42 Cb 0.03 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.55 2a4r s THR 42 CO 0.19 0.18 0.00 2.22 -2.21 0.00 0.00 174.62 175.00 2a4r n PHE 43 N 0.95 0.00 -4.50 9.09 -1.74 0.11 -4.55 117.46 116.83 2a4r n PHE 43 Ca -0.14 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.51 2a4r n PHE 43 Cb 0.52 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.42 2a4r n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2a4r s LEU 44 N 0.00 2.57 0.01 5.98 1.43 0.04 -0.96 118.68 127.75 2a4r s LEU 44 Ca 0.00 -1.26 -0.03 0.00 -1.03 0.00 0.00 54.13 51.81 2a4r s LEU 44 Cb 0.00 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 2a4r s LEU 44 CO 0.00 -0.38 0.05 0.00 0.23 0.00 0.00 176.35 176.25 2a4r s ALA 45 N -2.91 -0.08 -0.07 4.21 0.00 -0.18 -4.11 121.76 118.62 2a4r s ALA 45 Ca 0.33 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.95 2a4r s ALA 45 Cb 0.06 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.31 2a4r s ALA 45 CO 0.15 -0.17 -0.09 0.99 0.00 0.00 0.00 175.76 176.64 2a4r s THR 46 N -1.33 0.90 -0.22 0.00 2.01 0.76 -1.16 115.64 116.59 2a4r s THR 46 Ca -0.14 -0.31 -0.24 0.00 0.31 0.00 0.00 61.69 61.30 2a4r s THR 46 Cb -0.08 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 2a4r s THR 46 CO 0.00 0.31 0.78 0.00 -0.69 0.00 0.00 174.62 175.03 2a4r s ILE 48 N 2.53 0.07 -1.45 0.00 1.01 0.56 -0.65 121.20 123.26 2a4r s ILE 48 Ca 0.34 0.18 -0.09 0.00 0.00 0.00 0.00 60.65 61.08 2a4r s ILE 48 Cb -0.16 -0.21 0.03 0.00 0.01 0.00 0.00 42.46 42.14 2a4r s ILE 48 CO 0.09 0.14 0.91 0.59 0.00 0.00 0.00 174.94 176.67 2a4r n ASN 49 N 4.38 -5.68 0.00 3.58 3.02 -1.24 -1.97 115.26 117.35 2a4r n ASN 49 Ca -0.22 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 2a4r n ASN 49 Cb 0.50 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 2a4r n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a4r n GLY 50 N -1.72 0.64 3.27 7.41 0.00 -1.26 -5.01 105.19 108.51 2a4r n GLY 50 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2a4r n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a4r s VAL 51 N -2.63 1.93 -0.54 1.61 1.01 -0.83 -2.06 120.40 118.88 2a4r s VAL 51 Ca 0.00 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 2a4r s VAL 51 Cb 0.00 -1.61 0.07 0.00 0.00 0.00 0.00 36.38 34.84 2a4r s VAL 51 CO 0.00 0.54 0.67 0.00 0.00 0.00 0.00 175.10 176.31 2a4r s TRP 53 N 2.75 3.47 0.39 0.00 0.52 0.30 -1.74 118.94 124.63 2a4r s TRP 53 Ca 0.15 0.55 -0.15 0.00 0.02 0.00 0.00 56.10 56.67 2a4r s TRP 53 Cb -0.20 -2.00 0.06 0.00 -1.15 0.00 0.00 33.47 30.17 2a4r s TRP 53 CO 0.11 0.41 0.78 -2.37 0.02 0.00 0.00 176.95 175.89 2a4r n THR 54 N -0.04 0.00 -3.19 2.01 5.66 -0.82 -0.17 114.28 117.73 2a4r n THR 54 Ca -0.02 -0.97 -0.39 0.00 -3.05 0.00 0.00 64.05 59.62 2a4r n THR 54 Cb 0.52 0.97 -0.05 0.00 -1.55 0.00 0.00 70.33 70.22 2a4r n THR 54 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2a4r s VAL 55 N -2.12 5.11 0.47 1.08 -7.23 -1.26 -1.78 120.40 114.67 2a4r s VAL 55 Ca 0.16 1.19 0.18 0.00 -1.81 0.00 0.00 61.98 61.70 2a4r s VAL 55 Cb -0.05 -3.92 0.35 0.00 0.56 0.00 0.00 36.38 33.31 2a4r s VAL 55 CO 0.12 0.30 2.00 0.22 -0.31 0.00 0.00 175.10 177.43 2a4r h TYR 56 N 6.65 0.25 0.00 2.82 3.20 -1.30 0.14 116.97 128.72 2a4r h TYR 56 Ca -0.41 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2a4r h TYR 56 Cb 1.19 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2a4r h TYR 56 CO 0.64 0.11 0.00 -2.39 -1.64 0.00 0.00 178.16 174.88 2a4r n HIS 57 N -4.45 0.00 -0.05 -3.82 1.44 -1.26 0.56 115.22 107.64 2a4r n HIS 57 Ca 0.09 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.71 2a4r n HIS 57 Cb 0.43 -0.21 -0.04 0.00 0.12 0.00 0.00 29.99 30.29 2a4r n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2a4r n GLY 58 N 0.11 -0.15 0.11 -1.39 0.00 0.40 -4.81 105.19 99.46 2a4r n GLY 58 Ca 0.09 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 2a4r n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a4r n ALA 59 N -3.17 1.31 -0.44 4.61 0.00 -0.75 -4.91 120.51 117.15 2a4r n ALA 59 Ca -0.19 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2a4r n ALA 59 Cb 0.66 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2a4r n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a4r n GLY 60 N 1.85 1.88 0.86 0.00 0.00 0.19 -1.46 105.19 108.51 2a4r n GLY 60 Ca -0.30 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.38 2a4r n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a4r n THR 61 N 0.00 1.48 -1.09 2.61 -2.24 -1.26 -4.79 114.28 108.99 2a4r n THR 61 Ca 0.00 -1.28 -0.34 0.00 -2.27 0.00 0.00 64.05 60.16 2a4r n THR 61 Cb 0.00 0.24 0.10 0.00 -2.10 0.00 0.00 70.33 68.57 2a4r n THR 61 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2a4r n ARG 62 N 0.34 0.11 -3.26 -0.78 0.63 -0.53 -4.82 116.66 108.35 2a4r n ARG 62 Ca 0.17 0.09 -0.22 0.00 -0.92 0.00 0.00 57.85 56.97 2a4r n ARG 62 Cb 0.63 -2.04 -0.00 0.00 0.45 0.00 0.00 32.46 31.50 2a4r n ARG 62 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2a4r s THR 63 N -2.11 4.40 -0.10 5.15 -1.32 -1.26 -4.59 115.64 115.80 2a4r s THR 63 Ca 0.66 -0.63 -0.04 0.00 -1.21 0.00 0.00 61.69 60.47 2a4r s THR 63 Cb -0.29 -3.59 -0.04 0.00 -1.51 0.00 0.00 72.50 67.07 2a4r s THR 63 CO 0.58 -0.36 0.04 -0.51 -2.21 0.00 0.00 174.62 172.17 2a4r s ILE 64 N -2.37 4.65 0.43 5.08 2.07 -0.01 -4.89 121.20 126.16 2a4r s ILE 64 Ca 0.44 -0.11 -0.24 0.00 -1.41 0.00 0.00 60.65 59.33 2a4r s ILE 64 Cb -0.10 -2.99 -0.08 0.00 0.13 0.00 0.00 42.46 39.43 2a4r s ILE 64 CO 0.35 0.60 1.16 0.00 -1.91 0.00 0.00 174.94 175.15 2a4r s ALA 65 N -0.85 3.06 0.17 1.50 0.00 -1.26 -0.56 121.76 123.82 2a4r s ALA 65 Ca 0.13 0.94 -0.14 0.00 0.00 0.00 0.00 51.96 52.90 2a4r s ALA 65 Cb -0.12 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.64 2a4r s ALA 65 CO 0.03 -0.58 0.40 -1.54 0.00 0.00 0.00 175.76 174.06 2a4r s SER 66 N -1.26 -0.12 0.57 0.00 1.04 -1.20 -4.86 113.70 107.86 2a4r s SER 66 Ca 0.60 -0.63 0.37 0.00 0.48 0.00 0.00 55.95 56.78 2a4r s SER 66 Cb -0.29 0.50 1.84 0.00 0.10 0.00 0.00 66.02 68.16 2a4r s SER 66 CO 0.36 -0.96 2.12 -0.65 0.98 0.00 0.00 173.24 175.10 2a4r h PRO 67 N 2.38 0.00 -0.02 4.02 0.11 -2.02 -1.87 132.00 134.60 2a4r h PRO 67 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2a4r h PRO 67 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2a4r h PRO 67 CO 0.43 0.00 -0.32 1.63 -0.21 0.00 0.00 178.00 179.53 2a4r n LYS 68 N -2.95 1.54 0.00 1.05 5.02 -1.26 -5.08 118.16 116.48 2a4r n LYS 68 Ca -0.01 -1.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.09 2a4r n LYS 68 Cb 0.16 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2a4r n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a4r n GLY 69 N 1.32 2.13 3.67 0.72 0.00 -0.70 -5.05 105.19 107.29 2a4r n GLY 69 Ca 0.10 -2.19 -0.46 0.00 0.00 0.00 0.00 46.02 43.46 2a4r n GLY 69 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2a4r n PRO 70 N -1.01 2.21 -4.47 1.61 -0.04 -1.26 -3.27 135.00 128.77 2a4r n PRO 70 Ca 0.00 0.80 -0.34 0.00 -0.04 0.00 0.00 63.50 63.93 2a4r n PRO 70 Cb 0.00 -2.60 -0.13 0.00 -0.04 0.00 0.00 33.50 30.73 2a4r n PRO 70 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2a4r s VAL 71 N 1.67 3.43 0.74 0.52 0.11 0.27 -4.90 120.40 122.24 2a4r s VAL 71 Ca 0.82 -0.51 -0.11 0.00 -2.93 0.00 0.00 61.98 59.24 2a4r s VAL 71 Cb -0.66 -2.49 0.03 0.00 -1.53 0.00 0.00 36.38 31.73 2a4r s VAL 71 CO 0.40 0.49 1.07 0.27 -3.33 0.00 0.00 175.10 174.01 2a4r s ILE 72 N 0.56 3.65 0.45 7.04 -4.36 -1.26 -0.83 121.20 126.45 2a4r s ILE 72 Ca -0.05 0.54 -0.24 0.00 -0.26 0.00 0.00 60.65 60.63 2a4r s ILE 72 Cb -0.15 -3.28 -0.08 0.00 1.25 0.00 0.00 42.46 40.20 2a4r s ILE 72 CO 0.03 -0.70 1.27 -1.10 0.24 0.00 0.00 174.94 174.68 2a4r s GLN 73 N -5.09 3.76 -0.04 0.37 -0.21 -1.26 -4.58 119.66 112.61 2a4r s GLN 73 Ca 0.59 2.04 0.13 0.00 0.02 0.00 0.00 55.36 58.15 2a4r s GLN 73 Cb -0.14 -2.56 -0.22 0.00 1.00 0.00 0.00 33.01 31.09 2a4r s GLN 73 CO 0.55 -0.63 0.65 -1.33 -2.12 0.00 0.00 175.29 172.41 2a4r n MET 74 N -0.26 0.63 -3.89 2.91 2.81 0.29 -4.92 117.12 114.69 2a4r n MET 74 Ca 0.06 0.27 -0.12 0.00 -1.81 0.00 0.00 57.70 56.10 2a4r n MET 74 Cb 0.45 -1.78 -0.14 0.00 -0.71 0.00 0.00 33.22 31.04 2a4r n MET 74 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2a4r s TYR 75 N -2.63 0.03 -0.04 2.03 2.02 -0.68 -4.99 117.35 113.10 2a4r s TYR 75 Ca -0.05 -0.03 -0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2a4r s TYR 75 Cb 0.08 -0.02 0.03 0.00 -0.40 0.00 0.00 41.96 41.65 2a4r s TYR 75 CO 0.82 -0.01 0.04 0.99 -1.57 0.00 0.00 175.55 175.83 2a4r s THR 76 N -0.09 -0.01 -0.44 -0.71 2.01 -1.26 -0.55 115.64 114.60 2a4r s THR 76 Ca -0.01 0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.35 2a4r s THR 76 Cb -0.01 -0.21 0.15 0.00 0.01 0.00 0.00 72.50 72.45 2a4r s THR 76 CO -0.00 0.18 0.30 0.21 -0.69 0.00 0.00 174.62 174.62 2a4r s ASN 77 N 1.90 2.76 0.37 3.53 3.84 0.38 -4.98 114.94 122.75 2a4r s ASN 77 Ca 0.02 -2.82 0.08 0.00 0.21 0.00 0.00 52.86 50.35 2a4r s ASN 77 Cb -0.12 -0.71 0.80 0.00 -0.55 0.00 0.00 41.25 40.67 2a4r s ASN 77 CO -0.03 -0.22 1.93 0.58 -2.79 0.00 0.00 177.10 176.56 2a4r h VAL 78 N 4.85 0.94 0.16 -5.21 2.07 -1.95 0.43 116.25 117.54 2a4r h VAL 78 Ca 0.13 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2a4r h VAL 78 Cb 0.91 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2a4r h VAL 78 CO 0.41 0.13 -0.07 -0.78 0.02 0.00 0.00 177.57 177.27 2a4r h ASP 79 N 0.70 -0.18 0.05 0.57 -0.00 -1.93 -2.64 116.42 112.99 2a4r h ASP 79 Ca 0.36 -0.05 0.00 0.00 -0.00 0.00 0.00 57.03 57.34 2a4r h ASP 79 Cb 0.47 0.05 0.00 0.00 -0.00 0.00 0.00 39.33 39.84 2a4r h ASP 79 CO -0.14 -0.06 -0.01 0.00 -0.00 0.00 0.00 179.24 179.04 2a4r n GLN 80 N -5.15 1.08 -2.65 0.28 6.02 -0.99 -4.89 117.38 111.08 2a4r n GLN 80 Ca -0.09 -0.21 -0.19 0.00 -0.01 0.00 0.00 57.00 56.51 2a4r n GLN 80 Cb 0.13 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.91 2a4r n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2a4r n ASP 81 N -0.78 -5.35 -4.19 1.08 2.03 -0.20 -4.94 116.55 104.20 2a4r n ASP 81 Ca 0.22 -0.14 -0.33 0.00 0.52 0.00 0.00 54.79 55.06 2a4r n ASP 81 Cb 0.18 -4.30 -0.16 0.00 -0.72 0.00 0.00 41.12 36.12 2a4r n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2a4r s LEU 82 N -5.48 2.23 0.15 -2.67 2.96 -0.03 -0.86 118.68 114.99 2a4r s LEU 82 Ca 0.14 -0.57 0.06 0.00 -0.22 0.00 0.00 54.13 53.55 2a4r s LEU 82 Cb -0.06 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 2a4r s LEU 82 CO 0.18 0.06 -0.14 0.68 -1.32 0.00 0.00 176.35 175.81 2a4r s VAL 83 N 0.93 1.46 -0.22 1.68 -7.23 -0.73 0.14 120.40 116.44 2a4r s VAL 83 Ca -0.04 -1.94 -0.15 0.00 -1.81 0.00 0.00 61.98 58.04 2a4r s VAL 83 Cb -0.15 -1.76 0.06 0.00 0.56 0.00 0.00 36.38 35.09 2a4r s VAL 83 CO -0.04 -0.52 0.55 -0.83 -0.31 0.00 0.00 175.10 173.95 2a4r s GLY 84 N -2.84 -0.45 0.32 2.32 0.00 0.29 -1.94 107.32 105.02 2a4r s GLY 84 Ca 0.15 1.79 0.09 0.00 0.00 0.00 0.00 44.72 46.76 2a4r s GLY 84 CO 0.04 1.75 -0.02 -0.98 0.00 0.00 0.00 173.10 173.88 2a4r s TRP 85 N 1.01 2.53 0.38 1.90 0.51 -0.71 0.10 118.94 124.66 2a4r s TRP 85 Ca -0.06 -0.39 -0.27 0.00 -2.12 0.00 0.00 56.10 53.26 2a4r s TRP 85 Cb -0.06 -1.37 -0.09 0.00 -0.81 0.00 0.00 33.47 31.14 2a4r s TRP 85 CO -0.09 0.54 1.26 -1.25 -0.51 0.00 0.00 176.95 176.90 2a4r s PRO 86 N -3.68 4.12 0.11 4.98 0.04 -1.26 -0.47 135.00 138.83 2a4r s PRO 86 Ca 0.34 2.08 -0.36 0.00 0.04 0.00 0.00 61.00 63.10 2a4r s PRO 86 Cb -0.02 -2.84 -0.17 0.00 0.04 0.00 0.00 34.50 31.52 2a4r s PRO 86 CO 0.19 -0.34 1.23 0.00 0.04 0.00 0.00 177.00 178.11 2a4r n ALA 87 N 0.33 -1.28 -1.27 8.56 0.00 -0.87 -4.54 120.51 121.44 2a4r n ALA 87 Ca 0.03 0.51 -0.13 0.00 0.00 0.00 0.00 53.44 53.85 2a4r n ALA 87 Cb 0.44 -2.01 0.14 0.00 0.00 0.00 0.00 19.45 18.02 2a4r n ALA 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2a4r n PRO 88 N 2.11 -1.67 -2.60 0.00 -0.04 -1.26 -4.96 135.00 126.58 2a4r n PRO 88 Ca 0.17 -1.17 -0.32 0.00 -0.04 0.00 0.00 63.50 62.15 2a4r n PRO 88 Cb 0.20 -0.94 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 2a4r n PRO 88 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2a4r s GLN 89 N -4.65 3.94 -0.60 0.54 -0.21 -1.26 -3.78 119.66 113.64 2a4r s GLN 89 Ca 0.45 0.84 0.00 0.00 0.02 0.00 0.00 55.36 56.67 2a4r s GLN 89 Cb -0.03 -2.22 0.00 0.00 1.00 0.00 0.00 33.01 31.76 2a4r s GLN 89 CO 0.33 -0.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 2a4r n GLY 90 N -1.32 0.79 3.64 3.09 0.00 -1.26 -4.99 105.19 105.13 2a4r n GLY 90 Ca 0.05 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 2a4r n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a4r s SER 91 N -2.63 4.15 -0.06 1.61 1.04 -1.25 -0.58 113.70 116.00 2a4r s SER 91 Ca 0.00 -1.04 -0.11 0.00 0.48 0.00 0.00 55.95 55.27 2a4r s SER 91 Cb 0.00 -0.50 0.02 0.00 0.10 0.00 0.00 66.02 65.64 2a4r s SER 91 CO 0.00 -0.29 0.28 0.00 0.98 0.00 0.00 173.24 174.21 2a4r s ARG 92 N -3.73 0.49 0.29 4.02 1.70 0.28 -4.66 118.95 117.35 2a4r s ARG 92 Ca 0.35 0.06 -0.18 0.00 -0.47 0.00 0.00 55.73 55.50 2a4r s ARG 92 Cb 0.01 0.22 -0.09 0.00 -0.57 0.00 0.00 34.95 34.53 2a4r s ARG 92 CO 0.19 -0.11 0.75 -1.12 -1.08 0.00 0.00 175.30 173.94 2a4r s SER 93 N -0.63 6.91 0.11 -2.89 0.01 -1.26 -3.89 113.70 112.06 2a4r s SER 93 Ca -0.07 1.38 -0.10 0.00 1.31 0.00 0.00 55.95 58.47 2a4r s SER 93 Cb -0.04 -2.41 -0.06 0.00 0.21 0.00 0.00 66.02 63.72 2a4r s SER 93 CO 0.02 -0.12 0.43 -0.22 0.41 0.00 0.00 173.24 173.76 2a4r s LEU 94 N -2.58 4.32 -0.03 2.44 2.96 0.17 -4.92 118.68 121.04 2a4r s LEU 94 Ca 0.50 0.82 -0.17 0.00 -0.22 0.00 0.00 54.13 55.06 2a4r s LEU 94 Cb -0.13 -3.12 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 2a4r s LEU 94 CO 0.19 0.13 0.47 -0.89 -1.32 0.00 0.00 176.35 174.92 2a4r s THR 95 N -1.48 5.03 0.74 3.68 2.01 -1.26 -3.62 115.64 120.73 2a4r s THR 95 Ca 0.36 0.97 -0.14 0.00 0.31 0.00 0.00 61.69 63.19 2a4r s THR 95 Cb -0.14 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.62 2a4r s THR 95 CO 0.19 0.48 1.15 -2.84 -0.69 0.00 0.00 174.62 172.91 2a4r s PRO 96 N -0.43 2.23 0.28 4.92 0.02 -1.26 0.89 135.00 141.65 2a4r s PRO 96 Ca 0.26 1.53 -0.28 0.00 0.02 0.00 0.00 61.00 62.52 2a4r s PRO 96 Cb -0.17 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 2a4r s PRO 96 CO 0.13 -1.71 0.99 0.00 -0.33 0.00 0.00 177.00 176.08 2a4r n THR 98 N 1.06 0.26 0.71 0.00 -2.24 -1.26 -4.78 114.28 108.03 2a4r n THR 98 Ca -0.00 -0.27 0.08 0.00 -2.27 0.00 0.00 64.05 61.59 2a4r n THR 98 Cb 0.47 0.81 0.06 0.00 -2.10 0.00 0.00 70.33 69.58 2a4r n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a4r n GLY 100 N 0.98 0.00 3.70 0.00 0.00 -1.26 -4.92 105.19 103.68 2a4r n GLY 100 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2a4r n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a4r n SER 101 N -0.13 1.94 -0.75 1.61 2.88 -1.26 -4.93 113.62 112.98 2a4r n SER 101 Ca 0.00 0.90 0.06 0.00 -1.33 0.00 0.00 58.87 58.50 2a4r n SER 101 Cb 0.38 -1.51 0.18 0.00 -0.75 0.00 0.00 64.21 62.51 2a4r n SER 101 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2a4r n SER 102 N -1.11 3.16 -4.35 -3.46 3.41 -1.26 -4.76 113.62 105.25 2a4r n SER 102 Ca 0.13 -2.11 -0.46 0.00 -0.26 0.00 0.00 58.87 56.17 2a4r n SER 102 Cb 0.46 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 2a4r n SER 102 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2a4r s ASP 103 N -1.08 6.72 0.56 4.04 1.01 -1.26 -0.64 116.67 126.02 2a4r s ASP 103 Ca 0.28 -2.54 -0.02 0.00 0.71 0.00 0.00 52.55 50.98 2a4r s ASP 103 Cb 0.16 -2.24 0.03 0.00 1.01 0.00 0.00 42.92 41.87 2a4r s ASP 103 CO 0.17 -0.67 0.82 -0.76 0.21 0.00 0.00 175.17 174.94 2a4r s LEU 104 N 0.66 3.26 -0.14 1.23 1.02 0.12 -3.76 118.68 121.07 2a4r s LEU 104 Ca 0.20 0.27 -0.04 0.00 0.02 0.00 0.00 54.13 54.58 2a4r s LEU 104 Cb -0.10 -3.09 0.07 0.00 0.02 0.00 0.00 46.19 43.09 2a4r s LEU 104 CO -0.08 -1.12 0.22 -0.31 0.02 0.00 0.00 176.35 175.08 2a4r s TYR 105 N -2.85 -0.30 -0.00 0.29 2.02 0.16 -0.87 117.35 115.80 2a4r s TYR 105 Ca 0.55 0.60 -0.17 0.00 -0.37 0.00 0.00 57.07 57.68 2a4r s TYR 105 Cb -0.10 -0.22 -0.06 0.00 -0.40 0.00 0.00 41.96 41.18 2a4r s TYR 105 CO 0.41 -0.42 0.48 -1.17 -1.57 0.00 0.00 175.55 173.28 2a4r s LEU 106 N 2.35 4.45 -0.16 -1.29 2.96 0.44 -0.68 118.68 126.74 2a4r s LEU 106 Ca 0.04 1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.94 2a4r s LEU 106 Cb -0.13 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 2a4r s LEU 106 CO -0.09 0.23 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.47 2a4r s VAL 107 N -0.70 4.06 0.65 1.68 1.01 -1.12 0.32 120.40 126.31 2a4r s VAL 107 Ca 0.26 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2a4r s VAL 107 Cb -0.17 -2.80 0.10 0.00 0.00 0.00 0.00 36.38 33.51 2a4r s VAL 107 CO 0.15 0.48 0.90 0.42 0.00 0.00 0.00 175.10 177.05 2a4r s THR 108 N 0.42 2.28 -1.16 3.92 -4.23 0.72 -4.44 115.64 113.15 2a4r s THR 108 Ca -0.02 -0.69 0.12 0.00 -1.18 0.00 0.00 61.69 59.92 2a4r s THR 108 Cb -0.14 -2.59 0.14 0.00 1.34 0.00 0.00 72.50 71.25 2a4r s THR 108 CO 0.02 0.00 1.35 -2.11 -0.54 0.00 0.00 174.62 173.35 2a4r n ARG 109 N -2.60 0.07 -0.31 3.99 1.85 -1.26 -0.86 116.66 117.54 2a4r n ARG 109 Ca 0.13 0.25 0.08 0.00 -1.00 0.00 0.00 57.85 57.31 2a4r n ARG 109 Cb 0.60 -1.50 0.23 0.00 -1.05 0.00 0.00 32.46 30.75 2a4r n ARG 109 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2a4r n HIS 110 N -1.42 0.78 -1.17 2.89 8.25 -1.26 -4.94 115.22 118.35 2a4r n HIS 110 Ca 0.04 -0.55 -0.06 0.00 -0.26 0.00 0.00 57.72 56.89 2a4r n HIS 110 Cb 0.12 -0.08 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 2a4r n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a4r n ALA 111 N 0.77 -0.09 -1.77 -1.41 0.00 -0.04 -5.00 120.51 112.98 2a4r n ALA 111 Ca 0.18 0.09 -0.38 0.00 0.00 0.00 0.00 53.44 53.33 2a4r n ALA 111 Cb 0.58 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 2a4r n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a4r s ASP 112 N -2.51 7.23 -0.12 0.00 1.01 -1.26 -4.74 116.67 116.27 2a4r s ASP 112 Ca 0.00 2.03 -0.03 0.00 0.71 0.00 0.00 52.55 55.26 2a4r s ASP 112 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2a4r s ASP 112 CO 0.00 -0.15 0.00 -0.69 0.21 0.00 0.00 175.17 174.54 2a4r s VAL 113 N -1.42 4.31 -0.18 -1.27 1.01 -1.26 -0.20 120.40 121.39 2a4r s VAL 113 Ca 0.49 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 2a4r s VAL 113 Cb -0.25 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.32 2a4r s VAL 113 CO 0.31 0.55 -0.07 -0.63 0.00 0.00 0.00 175.10 175.27 2a4r s ILE 114 N -0.35 1.29 0.18 2.22 1.01 0.15 -4.94 121.20 120.76 2a4r s ILE 114 Ca 0.07 -0.78 -0.31 0.00 0.00 0.00 0.00 60.65 59.63 2a4r s ILE 114 Cb -0.12 -1.45 -0.10 0.00 0.01 0.00 0.00 42.46 40.80 2a4r s ILE 114 CO 0.02 0.12 1.53 -2.84 0.00 0.00 0.00 174.94 173.77 2a4r s PRO 115 N 1.55 4.23 -0.03 2.79 0.02 -1.26 -0.42 135.00 141.87 2a4r s PRO 115 Ca -0.00 2.33 0.02 0.00 0.02 0.00 0.00 61.00 63.37 2a4r s PRO 115 Cb -0.16 -3.15 0.01 0.00 0.02 0.00 0.00 34.50 31.23 2a4r s PRO 115 CO -0.08 -0.55 -0.07 0.08 -0.33 0.00 0.00 177.00 176.05 2a4r s VAL 116 N 0.86 0.67 -0.21 3.83 1.01 -0.05 -1.55 120.40 124.95 2a4r s VAL 116 Ca 0.67 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 2a4r s VAL 116 Cb -0.43 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2a4r s VAL 116 CO 0.34 0.23 0.31 -0.60 0.00 0.00 0.00 175.10 175.39 2a4r s ARG 117 N 0.46 4.14 -0.09 2.72 6.06 0.30 0.16 118.95 132.69 2a4r s ARG 117 Ca -0.07 0.04 -0.30 0.00 -2.50 0.00 0.00 55.73 52.90 2a4r s ARG 117 Cb -0.11 -3.54 -0.03 0.00 0.06 0.00 0.00 34.95 31.33 2a4r s ARG 117 CO 0.01 -0.00 1.38 0.50 -2.50 0.00 0.00 175.30 174.69 2a4r s ARG 118 N 1.21 4.24 -0.08 5.12 3.52 0.19 0.36 118.95 133.51 2a4r s ARG 118 Ca 0.15 1.85 0.18 0.00 -0.13 0.00 0.00 55.73 57.78 2a4r s ARG 118 Cb -0.14 -3.76 -0.23 0.00 -1.56 0.00 0.00 34.95 29.25 2a4r s ARG 118 CO 0.07 -0.69 0.42 0.54 -0.81 0.00 0.00 175.30 174.83 2a4r n ARG 119 N 6.36 0.66 -3.74 5.12 5.12 0.13 -4.93 116.66 125.38 2a4r n ARG 119 Ca 0.14 0.05 -0.01 0.00 -1.93 0.00 0.00 57.85 56.10 2a4r n ARG 119 Cb 0.44 -1.63 0.02 0.00 -1.16 0.00 0.00 32.46 30.13 2a4r n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2a4r n GLY 120 N 1.54 0.53 0.31 -0.13 0.00 -0.65 -4.94 105.19 101.85 2a4r n GLY 120 Ca -0.19 -1.10 0.23 0.00 0.00 0.00 0.00 46.02 44.96 2a4r n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a4r n ASP 121 N -1.18 0.14 -1.14 1.61 10.43 -1.26 -1.73 116.55 123.43 2a4r n ASP 121 Ca -0.00 1.57 0.04 0.00 2.57 0.00 0.00 54.79 58.97 2a4r n ASP 121 Cb 0.54 -0.68 0.07 0.00 1.84 0.00 0.00 41.12 42.88 2a4r n ASP 121 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2a4r n SER 122 N -5.23 1.10 -3.97 -2.24 3.41 -1.26 -4.51 113.62 100.93 2a4r n SER 122 Ca 0.30 -2.47 -0.12 0.00 -0.26 0.00 0.00 58.87 56.31 2a4r n SER 122 Cb 1.00 -0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 64.48 2a4r n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2a4r s ARG 123 N -0.84 0.32 0.01 4.33 6.06 -0.70 -1.33 118.95 126.81 2a4r s ARG 123 Ca 0.31 -0.42 -0.20 0.00 -2.50 0.00 0.00 55.73 52.92 2a4r s ARG 123 Cb 0.34 -0.14 0.04 0.00 0.06 0.00 0.00 34.95 35.25 2a4r s ARG 123 CO -0.12 0.02 0.45 0.20 -2.50 0.00 0.00 175.30 173.36 2a4r s GLY 124 N -0.86 -0.33 -0.13 8.12 0.00 -0.94 -0.69 107.32 112.49 2a4r s GLY 124 Ca -0.07 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.19 2a4r s GLY 124 CO -0.00 0.27 -0.14 -1.35 0.00 0.00 0.00 173.10 171.88 2a4r s SER 125 N -1.70 3.97 0.50 1.64 1.04 0.16 -0.89 113.70 118.42 2a4r s SER 125 Ca -0.08 -0.34 -0.23 0.00 0.48 0.00 0.00 55.95 55.78 2a4r s SER 125 Cb -0.02 -1.59 -0.06 0.00 0.10 0.00 0.00 66.02 64.45 2a4r s SER 125 CO 0.01 0.17 1.40 -0.76 0.98 0.00 0.00 173.24 175.04 2a4r s LEU 126 N 0.33 3.97 0.45 2.42 1.43 -0.05 -0.54 118.68 126.69 2a4r s LEU 126 Ca -0.11 2.85 0.25 0.00 -1.03 0.00 0.00 54.13 56.09 2a4r s LEU 126 Cb -0.16 -4.11 0.57 0.00 0.03 0.00 0.00 46.19 42.52 2a4r s LEU 126 CO 0.06 -1.40 1.69 -0.07 0.23 0.00 0.00 176.35 176.86 2a4r h LEU 127 N 1.86 0.00 -6.76 1.79 3.38 -1.62 -3.40 115.31 110.55 2a4r h LEU 127 Ca -0.51 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.09 2a4r h LEU 127 Cb 1.28 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.67 2a4r h LEU 127 CO 0.59 0.07 -0.67 -0.44 0.09 0.00 0.00 178.44 178.08 2a4r s SER 128 N -6.12 1.87 0.50 -0.43 0.01 -1.26 -5.13 113.70 103.13 2a4r s SER 128 Ca 0.05 -0.53 -0.24 0.00 1.31 0.00 0.00 55.95 56.54 2a4r s SER 128 Cb 0.06 0.22 -0.07 0.00 0.21 0.00 0.00 66.02 66.45 2a4r s SER 128 CO 0.65 -0.36 1.41 -2.84 0.41 0.00 0.00 173.24 172.51 2a4r s PRO 129 N 2.28 3.41 0.25 12.44 0.02 -1.26 -5.02 135.00 147.11 2a4r s PRO 129 Ca 0.07 2.37 0.06 0.00 0.02 0.00 0.00 61.00 63.52 2a4r s PRO 129 Cb -0.15 -2.47 -0.05 0.00 0.02 0.00 0.00 34.50 31.84 2a4r s PRO 129 CO -0.19 -1.02 -0.05 1.03 -0.33 0.00 0.00 177.00 176.43 2a4r s ARG 130 N -2.67 1.45 0.60 5.54 3.00 -0.66 -4.94 118.95 121.27 2a4r s ARG 130 Ca 0.66 -1.72 -0.18 0.00 0.00 0.00 0.00 55.73 54.49 2a4r s ARG 130 Cb -0.43 -0.98 -0.03 0.00 0.00 0.00 0.00 34.95 33.51 2a4r s ARG 130 CO 0.53 0.02 1.17 -2.14 0.00 0.00 0.00 175.30 174.88 2a4r s PRO 131 N -3.76 2.95 0.53 3.54 0.02 -1.26 0.63 135.00 137.66 2a4r s PRO 131 Ca 0.28 1.70 0.23 0.00 0.02 0.00 0.00 61.00 63.23 2a4r s PRO 131 Cb 0.04 -1.94 1.38 0.00 0.02 0.00 0.00 34.50 34.00 2a4r s PRO 131 CO 0.10 -1.19 2.06 0.97 -0.33 0.00 0.00 177.00 178.61 2a4r h ILE 132 N 0.71 0.79 -0.68 2.83 6.09 -1.52 -0.98 117.51 124.76 2a4r h ILE 132 Ca -0.49 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.09 2a4r h ILE 132 Cb 1.28 0.83 -0.07 0.00 0.47 0.00 0.00 36.82 39.33 2a4r h ILE 132 CO 0.55 0.00 0.32 0.77 -3.07 0.00 0.00 178.15 176.71 2a4r h SER 133 N 0.00 0.39 -0.74 2.19 4.64 -1.90 -0.62 113.55 117.51 2a4r h SER 133 Ca 0.15 0.07 0.05 0.00 -0.47 0.00 0.00 61.79 61.59 2a4r h SER 133 Cb 0.62 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.68 2a4r h SER 133 CO -0.00 0.22 0.49 0.22 -0.87 0.00 0.00 176.83 176.89 2a4r h TYR 134 N 0.54 0.83 -0.41 4.77 3.20 -1.53 -1.61 116.97 122.76 2a4r h TYR 134 Ca 0.34 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.23 2a4r h TYR 134 Cb 0.38 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2a4r h TYR 134 CO -0.13 0.46 0.00 1.28 -1.64 0.00 0.00 178.16 178.13 2a4r n LEU 135 N -4.47 3.18 -4.73 2.82 4.32 -0.61 -4.90 117.00 112.60 2a4r n LEU 135 Ca 0.10 -1.42 -0.41 0.00 -0.02 0.00 0.00 56.01 54.26 2a4r n LEU 135 Cb 0.17 -0.27 -0.04 0.00 -1.62 0.00 0.00 43.42 41.67 2a4r n LEU 135 CO 0.34 0.71 0.83 -0.75 -1.22 0.00 0.00 177.39 177.30 2a4r s LYS 136 N -1.46 4.54 0.00 3.23 2.20 -0.34 -3.12 119.74 124.78 2a4r s LYS 136 Ca 0.39 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 2a4r s LYS 136 Cb 0.22 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 2a4r s LYS 136 CO 0.30 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.68 2a4r n GLY 137 N 2.27 0.72 0.57 5.54 0.00 -1.26 -4.82 105.19 108.20 2a4r n GLY 137 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2a4r n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a4r n SER 138 N 0.00 2.11 -4.69 1.61 7.64 -1.18 -3.56 113.62 115.55 2a4r n SER 138 Ca 0.00 -1.55 -0.42 0.00 1.01 0.00 0.00 58.87 57.91 2a4r n SER 138 Cb 0.00 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2a4r n SER 138 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2a4r n SER 139 N 0.22 2.46 0.00 6.43 7.64 -1.26 -0.89 113.62 128.23 2a4r n SER 139 Ca 0.11 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.14 2a4r n SER 139 Cb 0.48 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 2a4r n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a4r n GLY 140 N 0.85 3.26 3.46 0.23 0.00 0.10 -0.78 105.19 112.31 2a4r n GLY 140 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2a4r n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a4r s GLY 141 N -2.71 1.52 0.21 -0.02 0.00 -0.07 -3.48 107.32 102.78 2a4r s GLY 141 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 44.72 44.43 2a4r s GLY 141 CO 0.00 0.53 0.47 2.56 0.00 0.00 0.00 173.10 176.66 2a4r s PRO 142 N -4.51 3.65 -0.36 2.90 0.04 -1.26 -0.79 135.00 134.67 2a4r s PRO 142 Ca 0.69 -0.01 -0.04 0.00 0.04 0.00 0.00 61.00 61.67 2a4r s PRO 142 Cb -0.24 -2.74 0.07 0.00 0.04 0.00 0.00 34.50 31.63 2a4r s PRO 142 CO 0.64 0.35 0.13 -0.51 0.04 0.00 0.00 177.00 177.65 2a4r s LEU 143 N -3.05 4.59 0.24 -3.56 2.01 0.10 -2.80 118.68 116.22 2a4r s LEU 143 Ca 0.43 -1.49 -0.03 0.00 0.01 0.00 0.00 54.13 53.05 2a4r s LEU 143 Cb -0.11 -1.83 -0.05 0.00 0.01 0.00 0.00 46.19 44.21 2a4r s LEU 143 CO 0.26 -0.40 0.47 -0.76 1.01 0.00 0.00 176.35 176.92 2a4r s LEU 144 N 1.29 4.15 0.00 1.79 1.02 0.14 0.50 118.68 127.57 2a4r s LEU 144 Ca 0.01 0.56 0.09 0.00 0.02 0.00 0.00 54.13 54.80 2a4r s LEU 144 Cb -0.21 -3.35 0.09 0.00 0.02 0.00 0.00 46.19 42.74 2a4r s LEU 144 CO -0.00 -0.11 0.72 0.00 0.02 0.00 0.00 176.35 176.98 2a4r h PRO 146 N 0.00 0.00 -0.41 0.00 0.11 -1.91 0.17 132.00 129.97 2a4r h PRO 146 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2a4r h PRO 146 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2a4r h PRO 146 CO 0.41 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.20 2a4r n ALA 147 N -1.93 2.43 -1.03 -0.75 0.00 -1.26 -4.93 120.51 113.04 2a4r n ALA 147 Ca -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 53.44 52.47 2a4r n ALA 147 Cb 0.27 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 2a4r n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a4r n GLY 148 N 1.45 0.45 3.84 0.00 0.00 0.05 -5.01 105.19 105.96 2a4r n GLY 148 Ca 0.19 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2a4r n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a4r s HIS 149 N -1.81 3.53 -0.02 1.61 3.76 -1.26 -4.78 115.29 116.31 2a4r s HIS 149 Ca 0.00 1.19 -0.30 0.00 -0.15 0.00 0.00 55.06 55.80 2a4r s HIS 149 Cb 0.00 -2.49 -0.06 0.00 1.11 0.00 0.00 32.58 31.14 2a4r s HIS 149 CO 0.00 0.28 1.57 0.00 -0.85 0.00 0.00 174.74 175.74 2a4r s ALA 150 N -1.68 3.63 -0.23 -1.40 0.00 0.26 -1.74 121.76 120.59 2a4r s ALA 150 Ca 0.45 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.37 2a4r s ALA 150 Cb -0.14 -3.69 -0.19 0.00 0.00 0.00 0.00 23.12 19.10 2a4r s ALA 150 CO 0.20 -1.21 -0.11 0.28 0.00 0.00 0.00 175.76 174.91 2a4r n VAL 151 N 5.13 1.55 -3.82 0.00 0.31 0.18 -0.05 118.33 121.64 2a4r n VAL 151 Ca 0.16 -0.59 -0.03 0.00 -0.01 0.00 0.00 64.34 63.87 2a4r n VAL 151 Cb 0.43 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 2a4r n VAL 151 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2a4r s GLY 152 N -6.33 -0.06 -0.20 2.92 0.00 -1.00 -0.75 107.32 101.90 2a4r s GLY 152 Ca -0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.26 2a4r s GLY 152 CO 0.63 1.39 -0.00 -2.27 0.00 0.00 0.00 173.10 172.85 2a4r s LEU 153 N -3.21 3.22 -0.25 0.66 2.96 0.77 0.03 118.68 122.86 2a4r s LEU 153 Ca 0.18 -0.22 -0.33 0.00 -0.22 0.00 0.00 54.13 53.53 2a4r s LEU 153 Cb -0.02 -1.82 -0.10 0.00 0.50 0.00 0.00 46.19 44.76 2a4r s LEU 153 CO 0.03 0.06 2.11 0.33 -1.32 0.00 0.00 176.35 177.56 2a4r n PHE 154 N 4.30 1.89 -0.07 5.38 7.35 0.03 -0.74 117.46 135.60 2a4r n PHE 154 Ca -0.17 0.11 -0.05 0.00 -0.76 0.00 0.00 57.45 56.58 2a4r n PHE 154 Cb 0.52 -2.61 -0.03 0.00 0.35 0.00 0.00 39.48 37.71 2a4r n PHE 154 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2a4r h ARG 155 N 12.08 0.00 -1.97 -4.13 1.12 -1.09 0.32 114.38 120.71 2a4r h ARG 155 Ca -0.37 0.00 0.05 0.00 -1.11 0.00 0.00 59.98 58.55 2a4r h ARG 155 Cb 1.29 0.00 -0.19 0.00 -0.01 0.00 0.00 29.97 31.06 2a4r h ARG 155 CO 0.98 0.16 0.42 0.00 -3.11 0.00 0.00 179.97 178.43 2a4r s ALA 156 N -2.60 -1.84 0.08 2.80 0.00 -0.93 -4.80 121.76 114.47 2a4r s ALA 156 Ca -0.11 1.28 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 2a4r s ALA 156 Cb 0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 23.12 22.95 2a4r s ALA 156 CO 0.20 -0.46 0.58 0.00 0.00 0.00 0.00 175.76 176.08 2a4r s ALA 157 N -1.88 3.58 -0.45 0.00 0.00 -1.26 0.64 121.76 122.38 2a4r s ALA 157 Ca -0.02 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 2a4r s ALA 157 Cb -0.01 -2.65 0.09 0.00 0.00 0.00 0.00 23.12 20.55 2a4r s ALA 157 CO -0.00 0.39 0.33 0.08 0.00 0.00 0.00 175.76 176.56 2a4r s VAL 158 N -1.09 4.59 0.03 0.00 1.01 0.42 -4.89 120.40 120.47 2a4r s VAL 158 Ca 0.29 -1.38 0.09 0.00 0.00 0.00 0.00 61.98 60.98 2a4r s VAL 158 Cb -0.20 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2a4r s VAL 158 CO 0.19 -0.60 -0.26 0.00 0.00 0.00 0.00 175.10 174.43 2a4r s THR 160 N -0.76 4.13 -1.28 0.00 2.01 -0.02 -4.62 115.64 115.10 2a4r s THR 160 Ca 0.11 -1.25 -0.05 0.00 0.31 0.00 0.00 61.69 60.81 2a4r s THR 160 Cb -0.10 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 68.97 2a4r s THR 160 CO 0.01 -0.37 1.10 0.54 -0.69 0.00 0.00 174.62 175.21 2a4r n ARG 161 N 4.89 -7.36 -0.57 4.92 1.74 -1.26 -2.84 116.66 116.18 2a4r n ARG 161 Ca -0.11 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2a4r n ARG 161 Cb 0.44 -5.84 0.00 0.00 -1.02 0.00 0.00 32.46 26.04 2a4r n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a4r n GLY 162 N -1.64 1.05 3.18 -0.13 0.00 -1.26 -5.02 105.19 101.36 2a4r n GLY 162 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2a4r n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a4r s VAL 163 N -3.26 2.54 -0.09 1.61 0.11 -1.13 -1.26 120.40 118.92 2a4r s VAL 163 Ca 0.00 -0.87 -0.30 0.00 -2.93 0.00 0.00 61.98 57.88 2a4r s VAL 163 Cb 0.00 -2.16 -0.02 0.00 -1.53 0.00 0.00 36.38 32.68 2a4r s VAL 163 CO 0.00 0.42 1.06 0.00 -3.33 0.00 0.00 175.10 173.25 2a4r s ALA 164 N 1.34 3.42 -0.08 1.54 0.00 0.21 -0.84 121.76 127.33 2a4r s ALA 164 Ca 0.04 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.47 2a4r s ALA 164 Cb -0.14 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 2a4r s ALA 164 CO -0.09 -0.63 0.10 1.63 0.00 0.00 0.00 175.76 176.77 2a4r n LYS 165 N 5.00 3.92 -4.06 0.00 5.02 -0.90 -1.66 118.16 125.47 2a4r n LYS 165 Ca 0.09 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.27 2a4r n LYS 165 Cb 0.48 -0.79 -0.07 0.00 -0.02 0.00 0.00 35.03 34.64 2a4r n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a4r s ALA 166 N -1.60 0.22 0.05 7.82 0.00 -0.91 -0.88 121.76 126.47 2a4r s ALA 166 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.83 2a4r s ALA 166 Cb 0.02 1.18 -0.03 0.00 0.00 0.00 0.00 23.12 24.29 2a4r s ALA 166 CO 0.11 -0.77 -0.06 0.14 0.00 0.00 0.00 175.76 175.18 2a4r s VAL 167 N -4.06 0.49 -0.09 0.00 -7.23 -0.07 -0.44 120.40 109.00 2a4r s VAL 167 Ca 0.28 -1.36 -0.00 0.00 -1.81 0.00 0.00 61.98 59.09 2a4r s VAL 167 Cb 0.02 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 2a4r s VAL 167 CO 0.10 -0.59 -0.05 -0.62 -0.31 0.00 0.00 175.10 173.63 2a4r s ASP 168 N -2.09 4.76 0.05 4.85 2.15 0.21 -2.20 116.67 124.39 2a4r s ASP 168 Ca -0.03 -0.02 -0.10 0.00 0.43 0.00 0.00 52.55 52.83 2a4r s ASP 168 Cb -0.04 -1.34 0.01 0.00 -0.30 0.00 0.00 42.92 41.25 2a4r s ASP 168 CO -0.02 0.33 0.21 0.72 -0.17 0.00 0.00 175.17 176.24 2a4r s PHE 169 N -0.59 0.04 -0.39 -5.34 -0.12 -0.44 -0.45 117.98 110.69 2a4r s PHE 169 Ca 0.09 -0.27 -0.17 0.00 -0.05 0.00 0.00 56.93 56.53 2a4r s PHE 169 Cb -0.12 -0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.27 2a4r s PHE 169 CO 0.02 -0.45 0.45 0.42 -0.05 0.00 0.00 175.22 175.61 2a4r s ILE 170 N -2.70 5.07 0.59 -4.49 1.01 0.08 -4.47 121.20 116.28 2a4r s ILE 170 Ca -0.04 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.33 2a4r s ILE 170 Cb -0.00 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 2a4r s ILE 170 CO -0.05 -0.32 1.30 -2.65 0.00 0.00 0.00 174.94 173.22 2a4r n PRO 171 N 5.64 1.40 0.08 2.79 -0.02 -1.26 -0.17 135.00 143.46 2a4r n PRO 171 Ca -0.07 0.53 0.16 0.00 -2.02 0.00 0.00 63.50 62.10 2a4r n PRO 171 Cb 0.48 -2.52 0.66 0.00 -0.02 0.00 0.00 33.50 32.10 2a4r n PRO 171 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2a4r h VAL 172 N 1.00 0.83 -0.80 -1.45 -1.51 -1.24 -0.72 116.25 112.37 2a4r h VAL 172 Ca -0.51 -0.01 0.09 0.00 -1.23 0.00 0.00 66.70 65.04 2a4r h VAL 172 Cb 1.32 0.79 -0.05 0.00 -2.13 0.00 0.00 31.29 31.22 2a4r h VAL 172 CO 0.55 0.01 0.52 -0.33 -1.23 0.00 0.00 177.57 177.09 2a4r h GLU 173 N 0.04 0.73 -0.65 5.19 3.07 -1.90 0.19 114.58 121.25 2a4r h GLU 173 Ca 0.17 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.92 2a4r h GLU 173 Cb 0.65 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 2a4r h GLU 173 CO -0.01 0.48 0.14 -0.91 -1.40 0.00 0.00 179.01 177.31 2a4r h ASN 174 N 0.75 0.99 -0.09 1.42 -0.26 -1.48 0.21 115.58 117.12 2a4r h ASN 174 Ca 0.36 -0.21 -0.02 0.00 -0.56 0.00 0.00 56.30 55.87 2a4r h ASN 174 Cb 0.41 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 2a4r h ASN 174 CO -0.14 0.97 -0.02 -0.07 -1.06 0.00 0.00 177.43 177.11 2a4r h LEU 175 N 0.99 0.18 -0.99 1.61 4.07 -1.16 0.98 115.31 120.99 2a4r h LEU 175 Ca 0.20 -0.36 0.09 0.00 0.08 0.00 0.00 57.88 57.90 2a4r h LEU 175 Cb 0.38 -0.05 -0.08 0.00 1.08 0.00 0.00 40.66 42.00 2a4r h LEU 175 CO 0.01 0.50 0.63 -0.33 -1.08 0.00 0.00 178.44 178.16 2a4r h GLU 176 N -0.14 1.03 0.05 1.13 5.08 -0.25 -1.65 114.58 119.83 2a4r h GLU 176 Ca 0.02 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2a4r h GLU 176 Cb 0.42 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2a4r h GLU 176 CO 0.01 0.68 -0.03 1.15 -1.00 0.00 0.00 179.01 179.83 2a4r h THR 177 N 1.06 1.27 -0.84 1.13 2.02 -0.46 -3.29 112.91 113.81 2a4r h THR 177 Ca 0.46 -1.22 0.13 0.00 0.77 0.00 0.00 66.41 66.56 2a4r h THR 177 Cb 0.32 2.06 -0.06 0.00 -1.74 0.00 0.00 68.15 68.73 2a4r h THR 177 CO -0.22 0.30 0.54 0.74 0.37 0.00 0.00 175.52 177.25 2a4r h THR 178 N -0.63 0.85 -0.01 3.16 2.02 -0.42 -3.51 112.91 114.37 2a4r h THR 178 Ca -0.01 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2a4r h THR 178 Cb 0.54 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2a4r h THR 178 CO 0.01 0.12 0.00 1.15 0.37 0.00 0.00 175.52 177.17