#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4q s SER 2 N 0.00 -0.26 0.00 0.00 0.15 -1.26 -5.01 113.70 107.31 2c4q s SER 2 Ca 0.00 0.47 0.10 0.00 0.70 0.00 0.00 55.95 57.22 2c4q s SER 2 Cb 0.00 0.74 0.12 0.00 -1.71 0.00 0.00 66.02 65.17 2c4q s SER 2 CO 0.00 -0.08 0.90 -0.46 1.20 0.00 0.00 173.24 174.80 2c4q n ASN 3 N 2.53 2.04 -3.70 5.45 6.94 -1.26 -4.65 115.26 122.61 2c4q n ASN 3 Ca -0.14 -1.54 -0.41 0.00 -0.02 0.00 0.00 54.58 52.47 2c4q n ASN 3 Cb 0.57 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 2c4q n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2c4q n PHE 4 N 0.54 2.79 -4.70 -2.53 7.35 -1.26 -4.90 117.46 114.74 2c4q n PHE 4 Ca 0.07 -2.81 -0.31 0.00 -0.76 0.00 0.00 57.45 53.64 2c4q n PHE 4 Cb 0.28 -1.92 -0.08 0.00 0.35 0.00 0.00 39.48 38.11 2c4q n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2c4q s THR 5 N -0.12 1.06 0.42 -2.13 -4.23 -1.26 -4.82 115.64 104.56 2c4q s THR 5 Ca 0.46 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.74 2c4q s THR 5 Cb 0.13 -2.23 -0.09 0.00 1.34 0.00 0.00 72.50 71.65 2c4q s THR 5 CO -0.03 0.00 1.05 -1.58 -0.54 0.00 0.00 174.62 173.51 2c4q s GLN 6 N -3.83 4.07 0.17 3.99 0.74 -1.26 -4.50 119.66 119.03 2c4q s GLN 6 Ca 0.11 1.47 -0.21 0.00 0.05 0.00 0.00 55.36 56.77 2c4q s GLN 6 Cb 0.02 -2.42 0.06 0.00 1.10 0.00 0.00 33.01 31.77 2c4q s GLN 6 CO 0.06 -0.22 0.57 -0.59 -0.55 0.00 0.00 175.29 174.56 2c4q s PHE 7 N -1.75 -0.42 -0.29 1.67 -0.71 -0.77 -5.01 117.98 110.69 2c4q s PHE 7 Ca 0.60 0.17 -0.26 0.00 -1.04 0.00 0.00 56.93 56.40 2c4q s PHE 7 Cb -0.20 0.51 0.01 0.00 -1.21 0.00 0.00 43.02 42.12 2c4q s PHE 7 CO 0.25 -0.86 0.91 0.08 -1.34 0.00 0.00 175.22 174.27 2c4q s VAL 8 N -3.78 4.70 -0.18 -2.49 1.01 -1.26 -1.41 120.40 116.99 2c4q s VAL 8 Ca 0.03 1.51 -0.23 0.00 0.00 0.00 0.00 61.98 63.29 2c4q s VAL 8 Cb -0.01 -4.24 -0.22 0.00 0.00 0.00 0.00 36.38 31.91 2c4q s VAL 8 CO -0.11 -0.28 0.41 0.25 0.00 0.00 0.00 175.10 175.37 2c4q h LEU 9 N 9.60 0.05 -8.35 3.92 5.85 -1.38 -3.45 115.31 121.56 2c4q h LEU 9 Ca -0.22 -0.69 -0.66 0.00 0.84 0.00 0.00 57.88 57.15 2c4q h LEU 9 Cb 1.08 -0.02 -0.30 0.00 0.37 0.00 0.00 40.66 41.79 2c4q h LEU 9 CO 0.94 1.38 -0.79 -0.69 -0.34 0.00 0.00 178.44 178.94 2c4q s VAL 10 N -2.34 2.80 -0.40 1.05 1.01 -1.03 -4.99 120.40 116.50 2c4q s VAL 10 Ca -0.25 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 2c4q s VAL 10 Cb 0.03 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.24 2c4q s VAL 10 CO 0.64 0.49 0.26 -0.62 0.00 0.00 0.00 175.10 175.87 2c4q s ASP 11 N 1.04 5.89 -0.76 3.32 -1.08 -1.26 -1.15 116.67 122.66 2c4q s ASP 11 Ca -0.01 -1.05 0.03 0.00 -0.52 0.00 0.00 52.55 51.01 2c4q s ASP 11 Cb -0.15 -2.08 0.27 0.00 -1.46 0.00 0.00 42.92 39.50 2c4q s ASP 11 CO -0.03 -0.45 0.95 0.59 0.52 0.00 0.00 175.17 176.76 2c4q n ASN 12 N 5.06 4.50 0.00 -0.34 3.02 -1.26 -5.02 115.26 121.22 2c4q n ASN 12 Ca -0.11 -3.44 0.00 0.00 -0.03 0.00 0.00 54.58 50.99 2c4q n ASN 12 Cb 0.46 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 2c4q n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c4q n GLY 13 N 0.95 2.82 0.01 7.41 0.00 -1.26 -2.80 105.19 112.32 2c4q n GLY 13 Ca 0.29 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.10 2c4q n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c4q n GLY 14 N 0.00 -0.67 3.27 -0.02 0.00 -1.26 -4.85 105.19 101.66 2c4q n GLY 14 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 2c4q n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c4q s THR 15 N -2.99 2.38 0.00 2.61 -4.23 -1.12 -4.43 115.64 107.86 2c4q s THR 15 Ca -0.05 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 2c4q s THR 15 Cb 0.09 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.99 2c4q s THR 15 CO 0.60 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.84 2c4q n GLY 16 N 3.54 0.98 3.77 3.99 0.00 -1.26 -4.76 105.19 111.44 2c4q n GLY 16 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2c4q n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c4q s ASP 17 N -2.07 6.78 -0.33 1.61 1.01 -1.26 -4.61 116.67 117.79 2c4q s ASP 17 Ca 0.00 2.67 -0.15 0.00 0.71 0.00 0.00 52.55 55.78 2c4q s ASP 17 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 2c4q s ASP 17 CO 0.00 -0.53 0.34 -0.69 0.21 0.00 0.00 175.17 174.50 2c4q s VAL 18 N -1.15 5.19 -0.04 -1.27 1.01 -0.30 -4.98 120.40 118.85 2c4q s VAL 18 Ca 0.49 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.55 2c4q s VAL 18 Cb -0.39 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2c4q s VAL 18 CO 0.52 -0.04 0.02 -0.89 0.00 0.00 0.00 175.10 174.71 2c4q s THR 19 N 1.98 4.33 -0.08 3.92 2.01 -1.26 -0.91 115.64 125.63 2c4q s THR 19 Ca 0.11 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.75 2c4q s THR 19 Cb -0.16 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.45 2c4q s THR 19 CO 0.11 0.48 -0.22 0.54 -0.69 0.00 0.00 174.62 174.84 2c4q s VAL 20 N -1.01 1.90 0.13 3.82 0.11 -0.50 -4.18 120.40 120.66 2c4q s VAL 20 Ca 0.17 -0.94 0.10 0.00 -2.93 0.00 0.00 61.98 58.38 2c4q s VAL 20 Cb -0.11 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.06 2c4q s VAL 20 CO 0.07 0.53 -0.21 0.00 -3.33 0.00 0.00 175.10 172.16 2c4q s ALA 21 N 0.22 2.59 0.40 1.54 0.00 -0.01 -1.85 121.76 124.64 2c4q s ALA 21 Ca -0.13 -1.42 -0.26 0.00 0.00 0.00 0.00 51.96 50.16 2c4q s ALA 21 Cb -0.16 -0.54 -0.11 0.00 0.00 0.00 0.00 23.12 22.31 2c4q s ALA 21 CO 0.06 0.56 1.15 -2.30 0.00 0.00 0.00 175.76 175.23 2c4q n PRO 22 N 0.75 1.67 0.00 0.00 -0.02 -1.26 -0.91 135.00 135.24 2c4q n PRO 22 Ca -0.16 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2c4q n PRO 22 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2c4q n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2c4q n SER 23 N 0.51 1.04 -3.56 2.55 3.41 -0.37 -4.79 113.62 112.40 2c4q n SER 23 Ca 0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.53 2c4q n SER 23 Cb 0.38 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 2c4q n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2c4q s ASN 24 N -2.15 -0.67 -0.36 4.04 3.04 -1.20 -5.03 114.94 112.61 2c4q s ASN 24 Ca 0.00 0.96 0.14 0.00 0.04 0.00 0.00 52.86 54.00 2c4q s ASN 24 Cb 0.00 0.86 0.39 0.00 -1.54 0.00 0.00 41.25 40.95 2c4q s ASN 24 CO 0.00 -0.47 0.82 0.33 -3.04 0.00 0.00 177.10 174.75 2c4q n PHE 25 N 1.54 0.38 -3.60 0.43 -0.00 -1.26 -0.52 117.46 114.43 2c4q n PHE 25 Ca -0.17 -3.40 -0.38 0.00 -0.00 0.00 0.00 57.45 53.50 2c4q n PHE 25 Cb 0.56 -0.32 -0.06 0.00 -0.00 0.00 0.00 39.48 39.66 2c4q n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c4q s ALA 26 N -2.55 3.75 -1.42 3.13 0.00 -1.20 -4.43 121.76 119.03 2c4q s ALA 26 Ca 0.35 -0.34 -0.09 0.00 0.00 0.00 0.00 51.96 51.88 2c4q s ALA 26 Cb 0.39 -2.27 0.02 0.00 0.00 0.00 0.00 23.12 21.26 2c4q s ALA 26 CO -0.04 0.51 1.05 0.09 0.00 0.00 0.00 175.76 177.38 2c4q n ASN 27 N 1.89 -6.04 -0.09 0.00 5.03 -1.26 -2.14 115.26 112.65 2c4q n ASN 27 Ca -0.16 -0.54 -0.01 0.00 0.87 0.00 0.00 54.58 54.74 2c4q n ASN 27 Cb 0.53 -4.78 -0.01 0.00 -1.02 0.00 0.00 39.78 34.51 2c4q n ASN 27 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2c4q n GLY 28 N -1.87 0.35 3.17 7.41 0.00 -1.26 -4.98 105.19 108.02 2c4q n GLY 28 Ca -0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2c4q n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c4q s VAL 29 N -1.59 3.00 0.10 1.61 1.01 -0.91 -4.47 120.40 119.15 2c4q s VAL 29 Ca 0.00 -1.38 -0.26 0.00 0.00 0.00 0.00 61.98 60.34 2c4q s VAL 29 Cb 0.00 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 2c4q s VAL 29 CO 0.00 -0.11 0.80 0.00 0.00 0.00 0.00 175.10 175.78 2c4q s ALA 30 N 1.25 3.38 -0.01 5.51 0.00 -0.30 -3.27 121.76 128.32 2c4q s ALA 30 Ca -0.05 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.30 2c4q s ALA 30 Cb -0.20 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 2c4q s ALA 30 CO -0.01 0.13 -0.14 -2.00 0.00 0.00 0.00 175.76 173.74 2c4q s GLU 31 N -0.42 1.15 -0.02 0.00 2.12 0.32 -1.09 118.70 120.75 2c4q s GLU 31 Ca 0.39 -0.51 0.06 0.00 0.36 0.00 0.00 54.97 55.27 2c4q s GLU 31 Cb -0.22 -1.11 -0.01 0.00 0.26 0.00 0.00 34.13 33.05 2c4q s GLU 31 CO 0.25 0.30 -0.19 -1.58 -0.54 0.00 0.00 175.26 173.51 2c4q s TRP 32 N -0.33 1.70 0.03 5.30 0.51 0.49 -1.24 118.94 125.40 2c4q s TRP 32 Ca 0.05 -0.34 0.03 0.00 -2.12 0.00 0.00 56.10 53.73 2c4q s TRP 32 Cb -0.05 -1.10 -0.02 0.00 -0.81 0.00 0.00 33.47 31.49 2c4q s TRP 32 CO -0.01 -0.04 -0.09 0.42 -0.51 0.00 0.00 176.95 176.72 2c4q s ILE 33 N -0.40 0.69 0.71 2.03 -1.09 -0.09 -1.52 121.20 121.52 2c4q s ILE 33 Ca 0.06 -0.83 -0.09 0.00 -2.23 0.00 0.00 60.65 57.56 2c4q s ILE 33 Cb -0.08 -0.67 0.04 0.00 -1.58 0.00 0.00 42.46 40.18 2c4q s ILE 33 CO -0.00 -0.13 1.06 -0.94 -1.23 0.00 0.00 174.94 173.69 2c4q s SER 34 N -1.06 5.10 0.93 3.58 1.04 -0.79 -0.83 113.70 121.68 2c4q s SER 34 Ca -0.03 0.81 -0.13 0.00 0.48 0.00 0.00 55.95 57.08 2c4q s SER 34 Cb -0.07 -1.54 0.15 0.00 0.10 0.00 0.00 66.02 64.66 2c4q s SER 34 CO 0.01 -1.48 1.15 -0.55 0.98 0.00 0.00 173.24 173.34 2c4q s SER 35 N -4.44 3.31 0.23 7.02 0.15 -1.26 -4.72 113.70 113.99 2c4q s SER 35 Ca 0.59 0.89 0.00 0.00 0.70 0.00 0.00 55.95 58.13 2c4q s SER 35 Cb -0.11 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 2c4q s SER 35 CO 0.48 -2.67 0.00 0.59 1.20 0.00 0.00 173.24 172.84 2c4q n ASN 36 N -3.83 -1.03 -4.59 5.45 3.02 -1.26 -4.79 115.26 108.22 2c4q n ASN 36 Ca 0.08 0.00 -0.63 0.00 -0.03 0.00 0.00 54.58 53.99 2c4q n ASN 36 Cb 0.59 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.67 2c4q n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2c4q n SER 37 N -0.27 0.64 0.06 6.41 7.64 -1.26 -4.80 113.62 122.04 2c4q n SER 37 Ca 0.00 1.17 0.06 0.00 1.01 0.00 0.00 58.87 61.10 2c4q n SER 37 Cb 0.00 -0.89 0.49 0.00 -1.01 0.00 0.00 64.21 62.80 2c4q n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2c4q h ARG 38 N 4.04 0.37 0.00 1.43 9.65 -1.91 -1.51 114.38 126.46 2c4q h ARG 38 Ca -0.47 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.37 2c4q h ARG 38 Cb 1.39 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.88 2c4q h ARG 38 CO 0.82 0.25 -0.09 0.66 2.80 0.00 0.00 179.97 184.41 2c4q h SER 39 N 0.39 0.00 -0.24 -3.80 4.64 -1.87 -2.71 113.55 109.96 2c4q h SER 39 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2c4q h SER 39 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2c4q h SER 39 CO -0.03 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 2c4q n GLN 40 N -3.58 2.83 -2.78 4.77 6.02 -0.60 -3.68 117.38 120.35 2c4q n GLN 40 Ca -0.02 -2.07 -0.30 0.00 -0.01 0.00 0.00 57.00 54.61 2c4q n GLN 40 Cb 0.21 -1.30 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 2c4q n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c4q s ALA 41 N -1.35 3.34 0.28 -1.58 0.00 -0.99 -4.82 121.76 116.64 2c4q s ALA 41 Ca 0.21 -0.23 -0.20 0.00 0.00 0.00 0.00 51.96 51.74 2c4q s ALA 41 Cb 0.13 -2.71 -0.09 0.00 0.00 0.00 0.00 23.12 20.45 2c4q s ALA 41 CO 0.11 -0.08 0.79 0.71 0.00 0.00 0.00 175.76 177.28 2c4q s TYR 42 N -2.45 3.57 -0.00 0.00 1.51 -1.26 -4.63 117.35 114.08 2c4q s TYR 42 Ca 0.51 1.45 0.03 0.00 -1.01 0.00 0.00 57.07 58.06 2c4q s TYR 42 Cb -0.10 -2.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.06 2c4q s TYR 42 CO 0.34 0.22 -0.11 0.21 -1.11 0.00 0.00 175.55 175.10 2c4q s LYS 43 N -2.30 0.87 -0.02 -0.62 2.20 -1.12 -1.88 119.74 116.88 2c4q s LYS 43 Ca 0.48 -0.42 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 2c4q s LYS 43 Cb -0.15 -0.84 0.02 0.00 -1.51 0.00 0.00 37.83 35.35 2c4q s LYS 43 CO 0.20 0.23 -0.00 0.08 -0.36 0.00 0.00 175.35 175.50 2c4q s VAL 44 N -0.32 0.17 0.12 4.02 1.01 -0.58 -1.06 120.40 123.75 2c4q s VAL 44 Ca 0.04 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2c4q s VAL 44 Cb -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 2c4q s VAL 44 CO -0.00 0.12 -0.11 0.42 0.00 0.00 0.00 175.10 175.52 2c4q s THR 45 N 0.75 1.10 -0.10 3.92 -4.23 -0.41 -0.38 115.64 116.29 2c4q s THR 45 Ca -0.07 -1.76 -0.23 0.00 -1.18 0.00 0.00 61.69 58.45 2c4q s THR 45 Cb -0.10 -1.52 0.05 0.00 1.34 0.00 0.00 72.50 72.27 2c4q s THR 45 CO -0.01 -0.56 0.56 0.00 -0.54 0.00 0.00 174.62 174.06 2c4q s SER 47 N -0.68 -0.56 0.06 0.00 1.04 -0.86 -1.15 113.70 111.55 2c4q s SER 47 Ca -0.08 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.51 2c4q s SER 47 Cb -0.03 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 2c4q s SER 47 CO 0.05 -0.87 -0.11 -0.69 0.98 0.00 0.00 173.24 172.60 2c4q s VAL 48 N -3.26 0.84 0.18 5.02 1.01 -1.26 -1.51 120.40 121.41 2c4q s VAL 48 Ca -0.00 -1.18 -0.19 0.00 0.00 0.00 0.00 61.98 60.60 2c4q s VAL 48 Cb -0.01 -0.85 0.04 0.00 0.00 0.00 0.00 36.38 35.57 2c4q s VAL 48 CO -0.09 -0.29 0.54 0.00 0.00 0.00 0.00 175.10 175.26 2c4q s ARG 49 N -1.64 1.31 -0.81 2.72 1.70 -0.84 -4.96 118.95 116.43 2c4q s ARG 49 Ca -0.06 -0.71 -0.21 0.00 -0.47 0.00 0.00 55.73 54.28 2c4q s ARG 49 Cb -0.10 0.54 0.10 0.00 -0.57 0.00 0.00 34.95 34.92 2c4q s ARG 49 CO 0.01 -0.56 1.07 -1.14 -1.08 0.00 0.00 175.30 173.61 2c4q s GLN 50 N -3.82 3.36 0.43 3.89 2.00 -1.26 -0.15 119.66 124.11 2c4q s GLN 50 Ca 0.05 -1.27 0.18 0.00 -2.00 0.00 0.00 55.36 52.33 2c4q s GLN 50 Cb -0.01 -4.62 1.00 0.00 0.80 0.00 0.00 33.01 30.18 2c4q s GLN 50 CO -0.07 -1.83 1.93 0.66 -0.50 0.00 0.00 175.29 175.48 2c4q h SER 51 N 9.26 0.00 -2.41 6.67 4.64 -1.51 -3.46 113.55 126.73 2c4q h SER 51 Ca -0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 2c4q h SER 51 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2c4q h SER 51 CO 1.17 0.25 0.17 -1.54 -0.87 0.00 0.00 176.83 176.01 2c4q n SER 52 N -3.96 -1.53 -0.36 4.97 3.41 -1.10 -4.98 113.62 110.07 2c4q n SER 52 Ca -0.02 -2.10 0.02 0.00 -0.26 0.00 0.00 58.87 56.51 2c4q n SER 52 Cb 0.33 2.56 0.17 0.00 -0.26 0.00 0.00 64.21 67.01 2c4q n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c4q h ALA 53 N 1.99 1.36 -0.00 7.33 0.00 -2.03 -3.08 119.26 124.83 2c4q h ALA 53 Ca -0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2c4q h ALA 53 Cb 0.84 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2c4q h ALA 53 CO 0.29 0.40 -0.64 1.04 0.00 0.00 0.00 179.25 180.34 2c4q n GLN 54 N -4.53 1.43 -4.78 0.00 6.02 -1.26 -4.93 117.38 109.33 2c4q n GLN 54 Ca 0.15 -0.33 -0.30 0.00 -0.01 0.00 0.00 57.00 56.51 2c4q n GLN 54 Cb 0.19 -1.32 -0.14 0.00 1.02 0.00 0.00 30.24 29.99 2c4q n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2c4q s ASN 55 N -2.41 3.31 0.03 1.08 0.01 -1.16 -0.51 114.94 115.29 2c4q s ASN 55 Ca 0.10 -0.59 0.06 0.00 -0.71 0.00 0.00 52.86 51.72 2c4q s ASN 55 Cb 0.14 -0.34 -0.03 0.00 0.41 0.00 0.00 41.25 41.43 2c4q s ASN 55 CO 0.61 0.25 -0.14 -0.13 -1.51 0.00 0.00 177.10 176.18 2c4q s ARG 56 N -1.41 2.26 -0.05 -0.60 0.52 -0.78 -1.31 118.95 117.59 2c4q s ARG 56 Ca 0.13 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 2c4q s ARG 56 Cb -0.10 -2.31 0.02 0.00 0.52 0.00 0.00 34.95 33.08 2c4q s ARG 56 CO 0.03 0.56 -0.06 0.21 0.02 0.00 0.00 175.30 176.07 2c4q s LYS 57 N -1.43 1.01 -0.16 3.54 2.20 0.79 -1.19 119.74 124.51 2c4q s LYS 57 Ca 0.16 -0.16 -0.08 0.00 -0.36 0.00 0.00 55.97 55.52 2c4q s LYS 57 Cb -0.11 -0.98 -0.04 0.00 -1.51 0.00 0.00 37.83 35.19 2c4q s LYS 57 CO 0.06 -0.07 0.13 0.71 -0.36 0.00 0.00 175.35 175.82 2c4q s TYR 58 N 0.93 3.50 -0.17 4.03 1.51 0.20 -2.00 117.35 125.35 2c4q s TYR 58 Ca -0.11 0.43 0.01 0.00 -1.01 0.00 0.00 57.07 56.39 2c4q s TYR 58 Cb -0.14 -2.04 0.02 0.00 -0.11 0.00 0.00 41.96 39.68 2c4q s TYR 58 CO 0.00 0.52 -0.18 0.99 -1.11 0.00 0.00 175.55 175.77 2c4q s THR 59 N -0.36 1.95 -0.02 -0.71 2.01 -0.57 -1.20 115.64 116.74 2c4q s THR 59 Ca 0.12 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.29 2c4q s THR 59 Cb -0.12 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 2c4q s THR 59 CO 0.01 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.62 2c4q s ILE 60 N 1.33 1.57 0.01 1.82 1.01 -0.13 -2.04 121.20 124.78 2c4q s ILE 60 Ca 0.05 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.88 2c4q s ILE 60 Cb -0.13 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 2c4q s ILE 60 CO -0.12 0.44 -0.07 -0.54 0.00 0.00 0.00 174.94 174.65 2c4q s LYS 61 N -0.42 0.55 0.01 2.79 1.02 -0.67 -1.18 119.74 121.83 2c4q s LYS 61 Ca 0.07 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.69 2c4q s LYS 61 Cb -0.08 -0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 36.74 2c4q s LYS 61 CO -0.00 0.12 -0.07 0.08 -0.92 0.00 0.00 175.35 174.56 2c4q s VAL 62 N -0.49 0.54 -0.10 3.17 1.01 -0.66 -1.28 120.40 122.58 2c4q s VAL 62 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2c4q s VAL 62 Cb -0.05 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.86 2c4q s VAL 62 CO 0.00 0.02 -0.09 -1.61 0.00 0.00 0.00 175.10 173.42 2c4q s GLU 63 N -0.51 1.60 -0.24 2.72 2.02 -0.23 -1.05 118.70 123.01 2c4q s GLU 63 Ca -0.00 -0.31 -0.04 0.00 0.02 0.00 0.00 54.97 54.63 2c4q s GLU 63 Cb -0.04 -1.53 0.00 0.00 0.10 0.00 0.00 34.13 32.65 2c4q s GLU 63 CO -0.00 -0.17 -0.02 0.08 0.02 0.00 0.00 175.26 175.17 2c4q s VAL 64 N 1.35 3.38 0.37 2.63 1.01 -0.70 -2.79 120.40 125.65 2c4q s VAL 64 Ca -0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2c4q s VAL 64 Cb -0.14 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2c4q s VAL 64 CO -0.04 0.31 0.62 -2.16 0.00 0.00 0.00 175.10 173.84 2c4q s PRO 65 N 1.45 3.56 -0.46 2.72 0.04 -1.26 -0.87 135.00 140.18 2c4q s PRO 65 Ca 0.04 -0.06 -0.06 0.00 0.04 0.00 0.00 61.00 60.96 2c4q s PRO 65 Cb -0.15 -2.57 0.12 0.00 0.04 0.00 0.00 34.50 31.94 2c4q s PRO 65 CO -0.02 0.06 0.30 0.21 0.04 0.00 0.00 177.00 177.59 2c4q s LYS 66 N -4.19 2.31 0.21 4.56 2.47 -0.65 -4.97 119.74 119.48 2c4q s LYS 66 Ca 0.44 -1.85 -0.32 0.00 -1.56 0.00 0.00 55.97 52.68 2c4q s LYS 66 Cb -0.10 -3.78 -0.12 0.00 -1.46 0.00 0.00 37.83 32.37 2c4q s LYS 66 CO 0.36 -1.15 1.68 0.08 0.16 0.00 0.00 175.35 176.49 2c4q s VAL 67 N 1.15 2.13 0.21 4.02 1.01 -1.26 -0.47 120.40 127.19 2c4q s VAL 67 Ca 0.08 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 2c4q s VAL 67 Cb -0.24 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.11 2c4q s VAL 67 CO -0.03 0.01 0.58 0.00 0.00 0.00 0.00 175.10 175.66 2c4q s ALA 68 N 0.98 -1.09 -0.16 5.51 0.00 -0.87 -4.79 121.76 121.34 2c4q s ALA 68 Ca 0.72 -0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.50 2c4q s ALA 68 Cb -0.48 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 2c4q s ALA 68 CO 0.34 -0.86 -0.04 0.99 0.00 0.00 0.00 175.76 176.20 2c4q s THR 69 N -3.87 3.81 -0.11 0.00 2.01 -1.26 -1.35 115.64 114.86 2c4q s THR 69 Ca 0.09 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 61.61 2c4q s THR 69 Cb -0.02 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 2c4q s THR 69 CO -0.02 0.49 0.21 -1.58 -0.69 0.00 0.00 174.62 173.02 2c4q s GLN 70 N 0.47 3.67 -0.13 4.92 0.74 0.49 -4.93 119.66 124.89 2c4q s GLN 70 Ca -0.04 -0.01 -0.00 0.00 0.05 0.00 0.00 55.36 55.36 2c4q s GLN 70 Cb -0.14 -3.24 0.03 0.00 1.10 0.00 0.00 33.01 30.76 2c4q s GLN 70 CO 0.03 0.68 -0.07 0.99 -0.55 0.00 0.00 175.29 176.36 2c4q s THR 71 N -0.79 1.10 -0.05 -0.34 2.01 -1.26 -0.46 115.64 115.85 2c4q s THR 71 Ca 0.16 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 2c4q s THR 71 Cb -0.13 -1.17 0.03 0.00 0.01 0.00 0.00 72.50 71.24 2c4q s THR 71 CO 0.05 0.29 0.01 -0.69 -0.69 0.00 0.00 174.62 173.59 2c4q s VAL 72 N 1.66 0.25 -1.87 3.82 1.01 -0.45 -4.78 120.40 120.04 2c4q s VAL 72 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2c4q s VAL 72 Cb -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2c4q s VAL 72 CO -0.08 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2c4q n GLY 73 N 4.81 0.80 2.30 4.51 0.00 -1.26 -0.91 105.19 115.45 2c4q n GLY 73 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2c4q n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c4q n GLY 74 N -0.79 0.88 3.57 -0.02 0.00 -1.26 -5.01 105.19 102.55 2c4q n GLY 74 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2c4q n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c4q s VAL 75 N -3.49 5.30 -0.15 1.61 1.01 -0.08 -5.08 120.40 119.51 2c4q s VAL 75 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 2c4q s VAL 75 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2c4q s VAL 75 CO 0.00 0.15 0.02 -1.83 0.00 0.00 0.00 175.10 173.44 2c4q s GLU 76 N 1.74 3.65 0.12 2.72 -1.05 -1.26 -1.34 118.70 123.29 2c4q s GLU 76 Ca 0.07 -0.40 0.10 0.00 -0.15 0.00 0.00 54.97 54.59 2c4q s GLU 76 Cb -0.17 -3.04 -0.04 0.00 -0.44 0.00 0.00 34.13 30.45 2c4q s GLU 76 CO 0.11 0.38 -0.26 -0.51 0.95 0.00 0.00 175.26 175.93 2c4q s LEU 77 N 0.02 2.30 -0.12 1.83 1.43 0.39 -4.94 118.68 119.60 2c4q s LEU 77 Ca 0.04 -0.72 -0.28 0.00 -1.03 0.00 0.00 54.13 52.14 2c4q s LEU 77 Cb -0.13 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 2c4q s LEU 77 CO 0.02 0.16 0.92 -2.84 0.23 0.00 0.00 176.35 174.84 2c4q s PRO 78 N -1.94 4.38 0.14 1.29 0.02 -1.26 -0.38 135.00 137.25 2c4q s PRO 78 Ca 0.12 1.22 0.03 0.00 0.02 0.00 0.00 61.00 62.39 2c4q s PRO 78 Cb -0.10 -3.54 -0.01 0.00 0.02 0.00 0.00 34.50 30.87 2c4q s PRO 78 CO 0.05 -0.28 0.13 1.33 -0.33 0.00 0.00 177.00 177.90 2c4q n VAL 79 N 4.54 0.00 -4.01 3.83 0.24 -0.46 -4.71 118.33 117.75 2c4q n VAL 79 Ca 0.06 -0.98 -0.34 0.00 -2.04 0.00 0.00 64.34 61.04 2c4q n VAL 79 Cb 0.49 0.50 -0.15 0.00 -1.47 0.00 0.00 33.84 33.21 2c4q n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c4q s ALA 80 N -2.51 2.62 0.24 2.33 0.00 -1.24 -2.04 121.76 121.15 2c4q s ALA 80 Ca 0.16 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 2c4q s ALA 80 Cb 0.01 -1.49 0.35 0.00 0.00 0.00 0.00 23.12 21.99 2c4q s ALA 80 CO 0.11 -0.39 1.84 0.00 0.00 0.00 0.00 175.76 177.33 2c4q h ALA 81 N 8.02 1.18 -2.61 0.00 0.00 -1.08 -3.46 119.26 121.31 2c4q h ALA 81 Ca -0.43 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.60 2c4q h ALA 81 Cb 1.15 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2c4q h ALA 81 CO 0.62 0.23 0.46 1.67 0.00 0.00 0.00 179.25 182.23 2c4q s TRP 82 N -6.05 -0.00 0.03 0.00 1.48 -1.26 -5.03 118.94 108.10 2c4q s TRP 82 Ca -0.13 -0.43 0.01 0.00 -1.06 0.00 0.00 56.10 54.49 2c4q s TRP 82 Cb 0.19 0.71 -0.02 0.00 -1.16 0.00 0.00 33.47 33.19 2c4q s TRP 82 CO 0.79 -1.06 -0.05 1.03 -4.06 0.00 0.00 176.95 173.60 2c4q s ARG 83 N -2.69 0.38 -0.17 3.25 0.52 -1.26 -1.63 118.95 117.34 2c4q s ARG 83 Ca 0.17 -0.58 -0.08 0.00 -0.52 0.00 0.00 55.73 54.71 2c4q s ARG 83 Cb -0.03 -0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.29 2c4q s ARG 83 CO 0.06 0.01 0.10 0.45 0.02 0.00 0.00 175.30 175.93 2c4q s SER 84 N -1.27 5.95 -0.12 0.23 0.15 -0.05 -4.96 113.70 113.63 2c4q s SER 84 Ca -0.11 0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.76 2c4q s SER 84 Cb -0.08 -1.99 -0.02 0.00 -1.71 0.00 0.00 66.02 62.22 2c4q s SER 84 CO -0.00 0.23 -0.14 -0.31 1.20 0.00 0.00 173.24 174.22 2c4q s TYR 85 N 0.02 2.78 -0.15 3.44 1.51 -1.26 -1.72 117.35 121.96 2c4q s TYR 85 Ca 0.08 -0.61 -0.00 0.00 -1.01 0.00 0.00 57.07 55.52 2c4q s TYR 85 Cb -0.12 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 2c4q s TYR 85 CO 0.00 -0.18 -0.13 -1.17 -1.11 0.00 0.00 175.55 172.96 2c4q s LEU 86 N 0.22 2.62 -0.15 -1.29 2.96 -0.21 -5.00 118.68 117.83 2c4q s LEU 86 Ca -0.09 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 2c4q s LEU 86 Cb -0.15 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 44.97 2c4q s LEU 86 CO 0.05 0.11 -0.04 0.20 -1.32 0.00 0.00 176.35 175.35 2c4q s ASN 87 N 0.69 2.63 0.03 3.68 0.01 -1.26 -1.66 114.94 119.06 2c4q s ASN 87 Ca -0.06 -0.58 0.05 0.00 -0.71 0.00 0.00 52.86 51.56 2c4q s ASN 87 Cb -0.15 -0.81 -0.02 0.00 0.41 0.00 0.00 41.25 40.67 2c4q s ASN 87 CO 0.02 -0.19 -0.16 0.00 -1.51 0.00 0.00 177.10 175.25 2c4q s MET 88 N 1.71 1.12 -0.10 -0.60 0.23 -0.32 -5.01 119.30 116.33 2c4q s MET 88 Ca 0.01 -0.75 0.02 0.00 -1.03 0.00 0.00 55.69 53.95 2c4q s MET 88 Cb -0.15 -1.15 0.01 0.00 -1.53 0.00 0.00 34.83 32.02 2c4q s MET 88 CO -0.07 0.29 -0.15 -1.21 -2.03 0.00 0.00 175.02 171.85 2c4q s GLU 89 N -0.94 2.15 -0.20 3.16 2.02 -1.26 -0.95 118.70 122.68 2c4q s GLU 89 Ca 0.04 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.50 2c4q s GLU 89 Cb -0.08 -1.80 0.03 0.00 0.10 0.00 0.00 34.13 32.38 2c4q s GLU 89 CO 0.01 -0.03 -0.17 -1.17 0.02 0.00 0.00 175.26 173.92 2c4q s LEU 90 N 0.88 2.40 -0.20 1.80 2.96 -0.34 -4.96 118.68 121.22 2c4q s LEU 90 Ca -0.09 -0.82 -0.09 0.00 -0.22 0.00 0.00 54.13 52.92 2c4q s LEU 90 Cb -0.15 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2c4q s LEU 90 CO 0.00 -0.05 0.10 -0.89 -1.32 0.00 0.00 176.35 174.19 2c4q s THR 91 N 1.26 4.98 -0.10 3.68 2.01 -1.26 -0.63 115.64 125.58 2c4q s THR 91 Ca 0.02 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.05 2c4q s THR 91 Cb -0.15 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.12 2c4q s THR 91 CO -0.11 0.42 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.57 2c4q s ILE 92 N 0.62 0.74 0.60 1.82 1.01 -0.33 -4.98 121.20 120.67 2c4q s ILE 92 Ca 0.05 -0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 2c4q s ILE 92 Cb -0.13 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 2c4q s ILE 92 CO 0.01 0.30 1.33 -2.84 0.00 0.00 0.00 174.94 173.74 2c4q s PRO 93 N 1.82 2.85 0.00 2.79 0.02 -1.26 -1.86 135.00 139.37 2c4q s PRO 93 Ca 0.05 2.17 0.13 0.00 0.02 0.00 0.00 61.00 63.36 2c4q s PRO 93 Cb -0.13 -2.06 0.69 0.00 0.02 0.00 0.00 34.50 33.02 2c4q s PRO 93 CO -0.07 -1.40 1.28 0.44 -0.33 0.00 0.00 177.00 176.92 2c4q n ILE 94 N -1.45 0.43 1.06 2.83 -5.35 0.34 -2.14 119.36 115.08 2c4q n ILE 94 Ca 0.13 0.11 0.13 0.00 -0.27 0.00 0.00 62.75 62.85 2c4q n ILE 94 Cb 0.46 -0.90 0.41 0.00 -1.74 0.00 0.00 39.64 37.88 2c4q n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2c4q n PHE 95 N -1.18 0.00 -2.22 4.28 3.72 -1.26 -4.87 117.46 115.93 2c4q n PHE 95 Ca 0.07 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 2c4q n PHE 95 Cb 0.08 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.28 2c4q n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2c4q s ALA 96 N -2.92 3.58 0.88 4.37 0.00 -0.91 -5.02 121.76 121.74 2c4q s ALA 96 Ca 0.15 0.91 -0.10 0.00 0.00 0.00 0.00 51.96 52.91 2c4q s ALA 96 Cb 0.18 -3.59 0.18 0.00 0.00 0.00 0.00 23.12 19.90 2c4q s ALA 96 CO 0.61 -0.87 1.21 0.95 0.00 0.00 0.00 175.76 177.66 2c4q s THR 97 N 2.23 2.02 0.33 0.00 -4.23 -1.26 -4.86 115.64 109.87 2c4q s THR 97 Ca 0.64 -0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.95 2c4q s THR 97 Cb -0.32 -2.78 0.14 0.00 1.34 0.00 0.00 72.50 70.88 2c4q s THR 97 CO 0.27 0.00 1.85 0.78 -0.54 0.00 0.00 174.62 176.98 2c4q h ASN 98 N -1.26 0.46 -0.60 3.99 4.21 -1.99 -2.07 115.58 118.32 2c4q h ASN 98 Ca -0.41 -0.10 -0.02 0.00 1.21 0.00 0.00 56.30 56.98 2c4q h ASN 98 Cb 1.24 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 38.29 2c4q h ASN 98 CO 0.36 0.58 0.29 0.28 -1.29 0.00 0.00 177.43 177.65 2c4q h SER 99 N 0.46 0.79 -0.64 5.81 0.02 -2.00 -1.31 113.55 116.69 2c4q h SER 99 Ca 0.09 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2c4q h SER 99 Cb 0.40 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 2c4q h SER 99 CO 0.02 0.69 0.29 0.44 -1.14 0.00 0.00 176.83 177.13 2c4q h ASP 100 N 0.82 0.85 -0.17 3.07 3.32 -1.80 -2.51 116.42 120.00 2c4q h ASP 100 Ca 0.21 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2c4q h ASP 100 Cb 0.11 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2c4q h ASP 100 CO -0.03 0.76 -0.08 0.00 -1.72 0.00 0.00 179.24 178.17 2c4q h GLU 102 N 0.47 0.60 -0.46 0.00 5.08 -0.95 -1.69 114.58 117.63 2c4q h GLU 102 Ca 0.09 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 2c4q h GLU 102 Cb 0.43 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2c4q h GLU 102 CO 0.02 0.71 -0.05 1.25 -1.00 0.00 0.00 179.01 179.94 2c4q h LEU 103 N 0.55 0.84 -0.96 1.33 5.85 -0.97 -1.47 115.31 120.46 2c4q h LEU 103 Ca 0.10 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2c4q h LEU 103 Cb 0.53 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 2c4q h LEU 103 CO 0.03 0.97 0.61 0.40 -0.34 0.00 0.00 178.44 180.11 2c4q h ILE 104 N 0.68 1.26 -0.36 4.05 2.04 -1.01 -1.06 117.51 123.11 2c4q h ILE 104 Ca 0.12 -0.52 -0.13 0.00 1.00 0.00 0.00 64.86 65.34 2c4q h ILE 104 Cb 0.57 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2c4q h ILE 104 CO 0.03 0.26 -0.29 0.58 0.00 0.00 0.00 178.15 178.74 2c4q h VAL 105 N 1.32 1.28 -0.22 1.67 2.07 -1.04 -2.48 116.25 118.84 2c4q h VAL 105 Ca 0.35 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 2c4q h VAL 105 Cb -0.10 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2c4q h VAL 105 CO -0.07 0.47 -0.21 0.11 0.02 0.00 0.00 177.57 177.89 2c4q h LYS 106 N 0.66 0.40 -0.55 1.57 1.57 -0.64 -1.78 116.57 117.79 2c4q h LYS 106 Ca 0.08 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2c4q h LYS 106 Cb 0.81 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2c4q h LYS 106 CO 0.07 0.59 0.01 0.00 -0.57 0.00 0.00 179.45 179.55 2c4q h ALA 107 N 1.42 0.97 -0.27 3.86 0.00 -0.94 0.12 119.26 124.42 2c4q h ALA 107 Ca 0.06 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 2c4q h ALA 107 Cb 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2c4q h ALA 107 CO 0.04 0.63 -0.44 0.52 0.00 0.00 0.00 179.25 179.99 2c4q h MET 108 N 0.87 0.69 -0.29 0.00 2.86 -1.00 -1.03 114.93 117.03 2c4q h MET 108 Ca 0.16 -0.38 -0.17 0.00 -2.06 0.00 0.00 59.70 57.25 2c4q h MET 108 Cb 0.50 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 2c4q h MET 108 CO 0.02 1.00 -0.49 1.96 1.06 0.00 0.00 176.91 180.46 2c4q h GLN 109 N 0.56 0.79 -0.55 1.72 4.20 -1.08 -3.05 115.11 117.70 2c4q h GLN 109 Ca 0.04 -0.47 -0.08 0.00 0.06 0.00 0.00 58.65 58.20 2c4q h GLN 109 Cb 0.99 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 2c4q h GLN 109 CO 0.09 1.10 0.03 0.78 -0.67 0.00 0.00 178.83 180.16 2c4q h GLY 110 N 0.83 1.03 0.77 3.46 0.00 -0.66 -1.84 103.07 106.67 2c4q h GLY 110 Ca 0.03 -0.74 0.11 0.00 0.00 0.00 0.00 47.33 46.74 2c4q h GLY 110 CO 0.11 0.68 0.51 -2.00 0.00 0.00 0.00 176.54 175.84 2c4q h LEU 111 N 0.84 0.58 -2.21 3.11 5.85 -1.12 -2.73 115.31 119.63 2c4q h LEU 111 Ca 0.16 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2c4q h LEU 111 Cb 0.50 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2c4q h LEU 111 CO 0.02 0.33 0.00 0.18 -0.34 0.00 0.00 178.44 178.63 2c4q n LEU 112 N -4.51 3.09 -4.76 2.25 4.77 -1.07 -4.33 117.00 112.45 2c4q n LEU 112 Ca 0.14 -1.42 -0.39 0.00 -0.03 0.00 0.00 56.01 54.31 2c4q n LEU 112 Cb 0.39 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2c4q n LEU 112 CO 0.32 0.65 1.01 -0.75 -1.33 0.00 0.00 177.39 177.29 2c4q s LYS 113 N -1.39 3.39 0.29 3.23 2.20 -0.72 -4.76 119.74 121.99 2c4q s LYS 113 Ca 0.31 2.28 -0.30 0.00 -0.36 0.00 0.00 55.97 57.91 2c4q s LYS 113 Cb 0.19 -2.43 -0.13 0.00 -1.51 0.00 0.00 37.83 33.95 2c4q s LYS 113 CO 0.27 -1.00 1.36 -0.25 -0.36 0.00 0.00 175.35 175.36 2c4q n ASP 114 N -0.66 2.83 0.00 1.43 8.00 -1.26 -2.11 116.55 124.78 2c4q n ASP 114 Ca 0.08 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.75 2c4q n ASP 114 Cb 0.44 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 2c4q n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c4q n GLY 115 N 1.50 2.90 3.83 0.44 0.00 -1.26 -5.04 105.19 107.56 2c4q n GLY 115 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2c4q n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2c4q s ASN 116 N -1.32 5.97 0.18 1.61 0.01 -0.90 -4.89 114.94 115.61 2c4q s ASN 116 Ca 0.00 1.62 -0.24 0.00 -0.71 0.00 0.00 52.86 53.53 2c4q s ASN 116 Cb 0.00 -2.50 0.08 0.00 0.41 0.00 0.00 41.25 39.24 2c4q s ASN 116 CO 0.00 -1.04 1.56 -0.65 -1.51 0.00 0.00 177.10 175.46 2c4q h PRO 117 N 0.07 -0.13 0.16 -0.60 0.11 -1.89 -2.34 132.00 127.38 2c4q h PRO 117 Ca -0.45 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2c4q h PRO 117 Cb 1.20 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2c4q h PRO 117 CO 0.59 -0.08 -0.08 0.82 -0.21 0.00 0.00 178.00 179.04 2c4q h ILE 118 N -0.13 0.97 0.00 4.15 2.04 -1.94 -1.57 117.51 121.03 2c4q h ILE 118 Ca 0.22 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 2c4q h ILE 118 Cb 0.55 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2c4q h ILE 118 CO -0.80 0.16 -0.13 1.55 0.00 0.00 0.00 178.15 178.93 2c4q h PRO 119 N -0.56 0.00 -0.41 2.37 0.13 -1.75 -2.17 132.00 129.62 2c4q h PRO 119 Ca -0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.96 2c4q h PRO 119 Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 2c4q h PRO 119 CO 0.04 0.13 -0.31 0.77 -0.23 0.00 0.00 178.00 178.39 2c4q h SER 120 N 0.00 0.98 0.02 1.44 0.02 -1.31 -1.94 113.55 112.76 2c4q h SER 120 Ca -0.00 -0.44 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2c4q h SER 120 Cb 0.25 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2c4q h SER 120 CO 0.02 1.21 -0.01 0.00 -1.14 0.00 0.00 176.83 176.91 2c4q h ALA 121 N 0.80 -0.03 -0.27 3.77 0.00 -0.77 -2.84 119.26 119.92 2c4q h ALA 121 Ca 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2c4q h ALA 121 Cb 0.90 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2c4q h ALA 121 CO 0.08 -0.41 0.12 0.82 0.00 0.00 0.00 179.25 179.86 2c4q h ILE 122 N -0.24 0.97 0.00 0.00 2.04 -1.42 0.18 117.51 119.04 2c4q h ILE 122 Ca -0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2c4q h ILE 122 Cb 0.23 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2c4q h ILE 122 CO 0.01 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.20 2c4q h ALA 123 N 1.15 1.00 -0.29 1.87 0.00 -1.35 -2.28 119.26 119.37 2c4q h ALA 123 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2c4q h ALA 123 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2c4q h ALA 123 CO -0.09 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.16 2c4q n ALA 124 N -2.06 3.07 -2.60 0.00 0.00 -0.79 -4.94 120.51 113.18 2c4q n ALA 124 Ca -0.02 -2.27 -0.18 0.00 0.00 0.00 0.00 53.44 50.97 2c4q n ALA 124 Cb 0.12 -0.75 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 2c4q n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2c4q n ASN 125 N -0.41 -4.96 -4.71 0.00 3.02 -0.86 -4.94 115.26 102.40 2c4q n ASN 125 Ca 0.22 -0.01 -0.30 0.00 -0.03 0.00 0.00 54.58 54.45 2c4q n ASN 125 Cb 0.92 -4.13 -0.09 0.00 -0.61 0.00 0.00 39.78 35.87 2c4q n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2c4q s SER 126 N -2.21 4.07 0.00 6.41 0.01 0.55 -5.02 113.70 117.52 2c4q s SER 126 Ca 0.08 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2c4q s SER 126 Cb -0.04 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2c4q s SER 126 CO 0.10 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.67 2c4q n GLY 127 N -1.18 4.89 3.88 3.44 0.00 -1.26 -4.16 105.19 110.79 2c4q n GLY 127 Ca -0.12 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 2c4q n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c4q s ILE 128 N 1.79 5.12 0.00 -0.61 -1.09 -1.26 -4.78 121.20 120.37 2c4q s ILE 128 Ca 0.00 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 2c4q s ILE 128 Cb 0.00 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2c4q s ILE 128 CO 0.00 0.20 0.00 0.00 -1.23 0.00 0.00 174.94 173.91