#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4q n SER 2 N 0.00 0.00 -0.35 0.00 2.88 -1.26 -5.03 113.62 109.86 2c4q n SER 2 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 2c4q n SER 2 Cb 0.00 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.09 2c4q n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2c4q n ASN 3 N 0.00 1.09 -4.20 -3.46 0.23 -1.26 -4.55 115.26 103.11 2c4q n ASN 3 Ca 0.00 -1.34 -0.43 0.00 -0.53 0.00 0.00 54.58 52.29 2c4q n ASN 3 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2c4q n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2c4q n PHE 4 N -0.16 4.14 -4.43 -2.53 -0.00 -1.26 -4.90 117.46 108.31 2c4q n PHE 4 Ca 0.20 -2.95 -0.21 0.00 -0.00 0.00 0.00 57.45 54.49 2c4q n PHE 4 Cb 0.29 -2.48 -0.10 0.00 -0.00 0.00 0.00 39.48 37.18 2c4q n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2c4q s THR 5 N 3.15 1.54 0.56 -2.13 -4.23 -1.26 -4.86 115.64 108.41 2c4q s THR 5 Ca 0.49 -2.09 -0.16 0.00 -1.18 0.00 0.00 61.69 58.75 2c4q s THR 5 Cb 0.07 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.33 2c4q s THR 5 CO 0.00 -0.24 1.03 0.00 -0.54 0.00 0.00 174.62 174.88 2c4q s GLN 6 N -3.76 3.57 0.19 3.99 -2.07 -1.26 -4.64 119.66 115.68 2c4q s GLN 6 Ca 0.31 1.09 -0.14 0.00 -1.82 0.00 0.00 55.36 54.79 2c4q s GLN 6 Cb 0.05 -2.07 0.01 0.00 -1.09 0.00 0.00 33.01 29.91 2c4q s GLN 6 CO 0.13 -0.59 0.44 -0.59 -1.32 0.00 0.00 175.29 173.36 2c4q s PHE 7 N -2.56 0.12 -0.39 9.60 -0.71 -0.69 -4.99 117.98 118.36 2c4q s PHE 7 Ca 0.61 -0.47 -0.24 0.00 -1.04 0.00 0.00 56.93 55.79 2c4q s PHE 7 Cb -0.13 0.22 0.02 0.00 -1.21 0.00 0.00 43.02 41.92 2c4q s PHE 7 CO 0.35 -0.87 0.82 0.08 -1.34 0.00 0.00 175.22 174.27 2c4q s VAL 8 N -3.93 4.66 -0.09 -2.49 1.01 -1.26 -0.82 120.40 117.48 2c4q s VAL 8 Ca 0.14 0.82 -0.26 0.00 0.00 0.00 0.00 61.98 62.68 2c4q s VAL 8 Cb 0.00 -4.28 -0.27 0.00 0.00 0.00 0.00 36.38 31.84 2c4q s VAL 8 CO 0.00 -0.56 0.88 0.25 0.00 0.00 0.00 175.10 175.68 2c4q h LEU 9 N 9.97 0.19 -8.13 3.92 5.85 -1.14 -3.43 115.31 122.54 2c4q h LEU 9 Ca -0.24 -0.92 -0.67 0.00 0.84 0.00 0.00 57.88 56.89 2c4q h LEU 9 Cb 1.09 -0.06 -0.33 0.00 0.37 0.00 0.00 40.66 41.73 2c4q h LEU 9 CO 0.95 1.09 -0.79 -0.69 -0.34 0.00 0.00 178.44 178.65 2c4q s VAL 10 N -2.56 2.59 -0.40 1.05 1.01 -0.88 -5.00 120.40 116.20 2c4q s VAL 10 Ca -0.17 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 2c4q s VAL 10 Cb -0.01 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.16 2c4q s VAL 10 CO 0.74 0.35 0.41 -0.62 0.00 0.00 0.00 175.10 175.98 2c4q s ASP 11 N 1.32 6.19 -0.44 3.32 2.15 -1.26 -1.19 116.67 126.75 2c4q s ASP 11 Ca 0.02 -0.58 0.05 0.00 0.43 0.00 0.00 52.55 52.48 2c4q s ASP 11 Cb -0.15 -2.21 0.43 0.00 -0.30 0.00 0.00 42.92 40.68 2c4q s ASP 11 CO -0.08 -0.51 1.21 0.59 -0.17 0.00 0.00 175.17 176.22 2c4q n ASN 12 N 5.51 5.02 -3.21 -0.34 3.02 -1.26 -4.97 115.26 119.04 2c4q n ASN 12 Ca -0.08 -3.74 -0.24 0.00 -0.03 0.00 0.00 54.58 50.49 2c4q n ASN 12 Cb 0.48 -0.48 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 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 -0.55 -0.57 2.22 7.41 0.00 -1.26 -2.89 105.19 109.55 2c4q n GLY 13 Ca 0.42 1.19 0.00 0.00 0.00 0.00 0.00 46.02 47.63 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 -0.30 0.00 2.76 -0.02 0.00 -1.26 -4.80 105.19 101.57 2c4q n GLY 14 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.05 0.62 0.00 2.61 -4.23 -1.14 -4.66 115.64 108.79 2c4q s THR 15 Ca 0.00 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 2c4q s THR 15 Cb 0.00 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.78 2c4q s THR 15 CO 0.00 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 2c4q n GLY 16 N 5.02 0.76 3.76 3.99 0.00 -1.26 -4.76 105.19 112.71 2c4q n GLY 16 Ca -0.09 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.20 5.80 -0.39 1.61 1.11 -1.26 -4.72 116.67 116.61 2c4q s ASP 17 Ca 0.00 2.40 -0.08 0.00 0.18 0.00 0.00 52.55 55.06 2c4q s ASP 17 Cb 0.00 -2.61 0.07 0.00 1.07 0.00 0.00 42.92 41.45 2c4q s ASP 17 CO 0.00 -1.18 0.21 -0.69 1.18 0.00 0.00 175.17 174.69 2c4q s VAL 18 N -1.52 4.01 0.11 -1.27 1.01 -0.34 -5.00 120.40 117.41 2c4q s VAL 18 Ca 0.68 -1.38 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2c4q s VAL 18 Cb -0.31 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2c4q s VAL 18 CO 0.36 -0.43 0.26 0.42 0.00 0.00 0.00 175.10 175.72 2c4q s THR 19 N 1.39 5.34 -0.02 3.92 -4.23 -1.26 -0.52 115.64 120.26 2c4q s THR 19 Ca 0.02 -0.48 0.05 0.00 -1.18 0.00 0.00 61.69 60.09 2c4q s THR 19 Cb -0.22 -3.68 -0.01 0.00 1.34 0.00 0.00 72.50 69.93 2c4q s THR 19 CO 0.02 0.02 -0.16 0.54 -0.54 0.00 0.00 174.62 174.50 2c4q s VAL 20 N -1.63 1.28 0.15 2.29 0.11 -0.00 -4.39 120.40 118.20 2c4q s VAL 20 Ca 0.35 -0.67 0.09 0.00 -2.93 0.00 0.00 61.98 58.83 2c4q s VAL 20 Cb -0.12 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 2c4q s VAL 20 CO 0.28 0.37 -0.21 0.00 -3.33 0.00 0.00 175.10 172.21 2c4q s ALA 21 N -0.20 2.06 0.16 1.54 0.00 -0.07 -1.70 121.76 123.54 2c4q s ALA 21 Ca 0.02 -1.44 -0.34 0.00 0.00 0.00 0.00 51.96 50.20 2c4q s ALA 21 Cb -0.08 -0.24 -0.14 0.00 0.00 0.00 0.00 23.12 22.66 2c4q s ALA 21 CO 0.00 0.32 1.51 -2.30 0.00 0.00 0.00 175.76 175.29 2c4q n PRO 22 N 0.56 1.94 0.00 0.00 -0.02 -1.26 -1.40 135.00 134.82 2c4q n PRO 22 Ca -0.15 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2c4q n PRO 22 Cb 0.56 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.09 0.45 -3.61 2.55 3.41 0.08 -4.85 113.62 114.74 2c4q n SER 23 Ca 0.17 -0.11 -0.07 0.00 -0.26 0.00 0.00 58.87 58.60 2c4q n SER 23 Cb 0.27 0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.39 -0.26 -0.01 4.04 3.84 -1.21 -4.98 114.94 115.97 2c4q s ASN 24 Ca 0.00 0.34 0.01 0.00 0.21 0.00 0.00 52.86 53.42 2c4q s ASN 24 Cb 0.00 0.29 0.01 0.00 -0.55 0.00 0.00 41.25 41.01 2c4q s ASN 24 CO 0.00 -0.20 0.93 0.33 -2.79 0.00 0.00 177.10 175.36 2c4q n PHE 25 N 0.96 0.00 -1.96 0.43 -0.00 -1.25 -0.23 117.46 115.41 2c4q n PHE 25 Ca -0.08 -0.05 -0.41 0.00 -0.00 0.00 0.00 57.45 56.91 2c4q n PHE 25 Cb 0.58 -0.05 -0.01 0.00 -0.00 0.00 0.00 39.48 40.00 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 -0.15 3.48 -1.77 3.13 0.00 -1.26 -2.87 121.76 122.33 2c4q s ALA 26 Ca 0.02 1.40 -0.00 0.00 0.00 0.00 0.00 51.96 53.38 2c4q s ALA 26 Cb 0.01 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2c4q s ALA 26 CO 0.00 -0.88 0.02 0.09 0.00 0.00 0.00 175.76 175.00 2c4q n ASN 27 N 0.51 -5.89 -0.37 0.00 3.02 -1.26 -2.59 115.26 108.68 2c4q n ASN 27 Ca 0.01 -0.03 -0.05 0.00 -0.03 0.00 0.00 54.58 54.49 2c4q n ASN 27 Cb 0.41 -4.89 -0.02 0.00 -0.61 0.00 0.00 39.78 34.66 2c4q n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c4q n GLY 28 N -1.04 0.65 3.29 7.41 0.00 -1.14 -4.98 105.19 109.38 2c4q n GLY 28 Ca -0.24 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.84 3.68 0.09 1.61 1.01 -1.07 -4.65 120.40 119.23 2c4q s VAL 29 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 2c4q s VAL 29 Cb 0.00 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 2c4q s VAL 29 CO 0.00 -0.02 1.03 0.00 0.00 0.00 0.00 175.10 176.11 2c4q s ALA 30 N 1.42 3.26 0.07 5.51 0.00 -0.06 -3.94 121.76 128.03 2c4q s ALA 30 Ca 0.00 0.65 0.08 0.00 0.00 0.00 0.00 51.96 52.69 2c4q s ALA 30 Cb -0.18 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 2c4q s ALA 30 CO 0.01 -0.17 -0.21 -2.00 0.00 0.00 0.00 175.76 173.39 2c4q s GLU 31 N 0.36 1.27 -0.00 0.00 2.12 0.68 -1.12 118.70 122.01 2c4q s GLU 31 Ca 0.50 -1.06 0.02 0.00 0.36 0.00 0.00 54.97 54.79 2c4q s GLU 31 Cb -0.25 -1.46 -0.00 0.00 0.26 0.00 0.00 34.13 32.67 2c4q s GLU 31 CO 0.30 0.36 -0.05 -1.58 -0.54 0.00 0.00 175.26 173.75 2c4q s TRP 32 N -0.98 0.48 0.07 5.30 0.51 0.07 -0.74 118.94 123.66 2c4q s TRP 32 Ca 0.07 -0.10 -0.01 0.00 -2.12 0.00 0.00 56.10 53.94 2c4q s TRP 32 Cb -0.09 -0.31 -0.04 0.00 -0.81 0.00 0.00 33.47 32.22 2c4q s TRP 32 CO 0.03 -0.01 0.00 0.96 -0.51 0.00 0.00 176.95 177.43 2c4q s ILE 33 N -0.15 0.18 0.52 2.03 -4.36 -0.49 -1.39 121.20 117.53 2c4q s ILE 33 Ca 0.02 -1.81 -0.03 0.00 -0.26 0.00 0.00 60.65 58.57 2c4q s ILE 33 Cb -0.02 -1.66 0.00 0.00 1.25 0.00 0.00 42.46 42.03 2c4q s ILE 33 CO -0.00 -0.83 0.78 -0.94 0.24 0.00 0.00 174.94 174.19 2c4q s SER 34 N -2.95 5.74 -1.23 4.36 1.04 -1.09 -0.89 113.70 118.67 2c4q s SER 34 Ca 0.12 0.51 -0.21 0.00 0.48 0.00 0.00 55.95 56.85 2c4q s SER 34 Cb 0.08 -1.64 -0.02 0.00 0.10 0.00 0.00 66.02 64.54 2c4q s SER 34 CO -0.07 -0.86 1.86 -1.20 0.98 0.00 0.00 173.24 173.95 2c4q n SER 35 N -2.32 3.86 -3.27 7.02 7.64 -1.26 -4.76 113.62 120.53 2c4q n SER 35 Ca 0.03 -2.79 -0.16 0.00 1.01 0.00 0.00 58.87 56.96 2c4q n SER 35 Cb 0.57 -1.73 -0.05 0.00 -1.01 0.00 0.00 64.21 61.99 2c4q n SER 35 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2c4q s ASN 36 N 5.46 1.11 0.48 6.43 0.01 -1.26 -5.08 114.94 122.09 2c4q s ASN 36 Ca 0.62 -1.56 -0.21 0.00 -0.71 0.00 0.00 52.86 51.00 2c4q s ASN 36 Cb 0.02 0.64 -0.08 0.00 0.41 0.00 0.00 41.25 42.24 2c4q s ASN 36 CO 0.11 -1.24 1.07 -0.94 -1.51 0.00 0.00 177.10 174.59 2c4q s SER 37 N -3.27 6.27 0.59 -1.22 1.04 -1.26 -4.80 113.70 111.05 2c4q s SER 37 Ca 0.33 2.03 0.29 0.00 0.48 0.00 0.00 55.95 59.07 2c4q s SER 37 Cb 0.00 -2.57 1.44 0.00 0.10 0.00 0.00 66.02 64.99 2c4q s SER 37 CO 0.22 -0.83 1.84 -0.09 0.98 0.00 0.00 173.24 175.36 2c4q h ARG 38 N 1.68 0.00 0.00 4.02 9.65 -1.97 0.10 114.38 127.86 2c4q h ARG 38 Ca -0.49 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 2c4q h ARG 38 Cb 1.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 2c4q h ARG 38 CO 0.59 0.00 0.00 0.66 2.80 0.00 0.00 179.97 184.02 2c4q h SER 39 N 0.00 0.00 -0.05 -3.80 4.64 -1.89 -3.31 113.55 109.14 2c4q h SER 39 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2c4q h SER 39 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2c4q h SER 39 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2c4q n GLN 40 N -3.07 2.65 -3.24 4.77 6.02 0.31 -3.81 117.38 121.01 2c4q n GLN 40 Ca 0.04 -1.83 -0.32 0.00 -0.01 0.00 0.00 57.00 54.88 2c4q n GLN 40 Cb 0.51 -1.16 -0.06 0.00 1.02 0.00 0.00 30.24 30.55 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 -1.43 3.42 0.44 -1.58 0.00 -0.86 -4.83 121.76 116.91 2c4q s ALA 41 Ca 0.11 -0.07 -0.22 0.00 0.00 0.00 0.00 51.96 51.77 2c4q s ALA 41 Cb 0.08 -2.64 -0.09 0.00 0.00 0.00 0.00 23.12 20.47 2c4q s ALA 41 CO 0.03 0.40 1.02 0.71 0.00 0.00 0.00 175.76 177.92 2c4q s TYR 42 N -1.91 3.19 -0.01 0.00 1.51 -1.26 -4.69 117.35 114.17 2c4q s TYR 42 Ca 0.51 1.62 0.00 0.00 -1.01 0.00 0.00 57.07 58.19 2c4q s TYR 42 Cb -0.11 -3.03 0.01 0.00 -0.11 0.00 0.00 41.96 38.72 2c4q s TYR 42 CO 0.19 -0.55 -0.01 0.21 -1.11 0.00 0.00 175.55 174.28 2c4q s LYS 43 N -2.93 0.14 -0.04 -0.62 2.20 -1.03 -2.69 119.74 114.78 2c4q s LYS 43 Ca 0.62 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 56.26 2c4q s LYS 43 Cb -0.17 -0.23 0.01 0.00 -1.51 0.00 0.00 37.83 35.94 2c4q s LYS 43 CO 0.21 -0.04 -0.07 0.08 -0.36 0.00 0.00 175.35 175.17 2c4q s VAL 44 N 0.38 0.69 0.06 4.02 1.01 -0.49 -0.48 120.40 125.58 2c4q s VAL 44 Ca -0.03 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2c4q s VAL 44 Cb -0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2c4q s VAL 44 CO -0.01 0.24 -0.11 0.42 0.00 0.00 0.00 175.10 175.64 2c4q s THR 45 N 0.53 0.87 -0.07 3.92 -4.23 0.09 -0.75 115.64 115.99 2c4q s THR 45 Ca -0.08 -1.17 -0.11 0.00 -1.18 0.00 0.00 61.69 59.16 2c4q s THR 45 Cb -0.12 -0.87 0.02 0.00 1.34 0.00 0.00 72.50 72.88 2c4q s THR 45 CO 0.01 -0.26 0.27 0.00 -0.54 0.00 0.00 174.62 174.10 2c4q s SER 47 N -0.37 -0.43 -0.02 0.00 1.04 -0.76 -0.88 113.70 112.28 2c4q s SER 47 Ca -0.05 0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.72 2c4q s SER 47 Cb -0.03 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 2c4q s SER 47 CO 0.01 -0.62 -0.14 -0.69 0.98 0.00 0.00 173.24 172.79 2c4q s VAL 48 N -1.80 1.10 0.01 5.02 1.01 -1.26 -0.75 120.40 123.73 2c4q s VAL 48 Ca -0.09 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2c4q s VAL 48 Cb -0.02 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 2c4q s VAL 48 CO 0.03 0.32 0.01 0.00 0.00 0.00 0.00 175.10 175.46 2c4q s ARG 49 N -0.19 0.30 -1.23 2.72 1.70 -0.69 -4.97 118.95 116.58 2c4q s ARG 49 Ca 0.03 -0.46 -0.12 0.00 -0.47 0.00 0.00 55.73 54.70 2c4q s ARG 49 Cb -0.07 0.11 0.17 0.00 -0.57 0.00 0.00 34.95 34.59 2c4q s ARG 49 CO 0.00 -0.05 1.57 0.94 -1.08 0.00 0.00 175.30 176.68 2c4q n GLN 50 N 1.82 3.44 0.20 3.89 7.27 -1.26 -0.58 117.38 132.16 2c4q n GLN 50 Ca -0.22 -3.75 0.17 0.00 0.07 0.00 0.00 57.00 53.27 2c4q n GLN 50 Cb 0.56 -3.01 0.69 0.00 2.41 0.00 0.00 30.24 30.89 2c4q n GLN 50 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2c4q h SER 51 N 6.73 0.00 -3.93 1.69 4.64 -1.88 -3.43 113.55 117.37 2c4q h SER 51 Ca 0.34 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.36 2c4q h SER 51 Cb 0.80 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.81 2c4q h SER 51 CO 1.36 0.00 -0.24 -0.24 -0.87 0.00 0.00 176.83 176.84 2c4q n SER 52 N -3.19 -0.88 -0.14 4.97 2.88 -1.18 -4.98 113.62 111.09 2c4q n SER 52 Ca 0.03 -2.68 -0.09 0.00 -1.33 0.00 0.00 58.87 54.80 2c4q n SER 52 Cb 0.61 1.78 0.04 0.00 -0.75 0.00 0.00 64.21 65.89 2c4q n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2c4q h ALA 53 N 1.91 0.80 -0.18 -1.46 0.00 -2.03 -3.32 119.26 114.98 2c4q h ALA 53 Ca -0.21 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2c4q h ALA 53 Cb 0.99 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2c4q h ALA 53 CO 0.29 0.66 0.00 1.04 0.00 0.00 0.00 179.25 181.24 2c4q n GLN 54 N -4.12 2.46 -4.07 0.00 6.02 -1.26 -4.97 117.38 111.43 2c4q n GLN 54 Ca 0.01 -2.58 -0.13 0.00 -0.01 0.00 0.00 57.00 54.29 2c4q n GLN 54 Cb 0.43 -1.62 -0.12 0.00 1.02 0.00 0.00 30.24 29.95 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 -2.03 0.87 -0.03 1.08 0.02 -1.25 -1.85 114.94 111.76 2c4q s ASN 55 Ca 0.34 -0.53 0.06 0.00 -1.02 0.00 0.00 52.86 51.71 2c4q s ASN 55 Cb 0.27 0.03 -0.01 0.00 0.02 0.00 0.00 41.25 41.56 2c4q s ASN 55 CO 0.07 -0.18 -0.21 -0.13 0.02 0.00 0.00 177.10 176.67 2c4q s ARG 56 N -1.50 1.82 -0.10 -0.60 0.52 -0.42 -2.94 118.95 115.73 2c4q s ARG 56 Ca -0.09 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.40 2c4q s ARG 56 Cb -0.10 -1.68 0.01 0.00 0.52 0.00 0.00 34.95 33.71 2c4q s ARG 56 CO 0.00 0.39 -0.15 0.21 0.02 0.00 0.00 175.30 175.78 2c4q s LYS 57 N -0.33 2.09 -0.16 3.54 2.20 0.25 -0.87 119.74 126.47 2c4q s LYS 57 Ca 0.04 -0.52 -0.11 0.00 -0.36 0.00 0.00 55.97 55.02 2c4q s LYS 57 Cb -0.10 -1.77 -0.05 0.00 -1.51 0.00 0.00 37.83 34.41 2c4q s LYS 57 CO 0.00 -0.03 0.20 0.71 -0.36 0.00 0.00 175.35 175.87 2c4q s TYR 58 N 0.90 3.49 -0.22 4.03 1.51 0.18 -1.70 117.35 125.54 2c4q s TYR 58 Ca -0.09 0.50 0.00 0.00 -1.01 0.00 0.00 57.07 56.48 2c4q s TYR 58 Cb -0.15 -2.17 0.03 0.00 -0.11 0.00 0.00 41.96 39.55 2c4q s TYR 58 CO 0.00 0.40 -0.14 0.99 -1.11 0.00 0.00 175.55 175.70 2c4q s THR 59 N -0.02 2.37 -0.03 -0.71 2.01 0.07 -1.06 115.64 118.26 2c4q s THR 59 Ca 0.13 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 61.13 2c4q s THR 59 Cb -0.12 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 2c4q s THR 59 CO 0.02 0.34 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.42 2c4q s ILE 60 N 1.27 1.92 -0.02 1.82 1.01 -0.23 -1.84 121.20 125.13 2c4q s ILE 60 Ca 0.01 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.66 2c4q s ILE 60 Cb -0.15 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.72 2c4q s ILE 60 CO -0.09 0.54 -0.06 -0.75 0.00 0.00 0.00 174.94 174.59 2c4q s LYS 61 N -0.39 0.72 -0.03 2.79 2.20 -0.46 -0.81 119.74 123.76 2c4q s LYS 61 Ca 0.04 -0.18 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 2c4q s LYS 61 Cb -0.11 -0.71 -0.00 0.00 -1.51 0.00 0.00 37.83 35.50 2c4q s LYS 61 CO 0.01 0.04 -0.12 0.08 -0.36 0.00 0.00 175.35 174.99 2c4q s VAL 62 N 0.37 1.02 -0.15 4.02 1.01 -0.25 -0.74 120.40 125.68 2c4q s VAL 62 Ca -0.05 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2c4q s VAL 62 Cb -0.09 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.43 2c4q s VAL 62 CO 0.00 0.30 -0.16 -1.61 0.00 0.00 0.00 175.10 173.64 2c4q s GLU 63 N 0.03 2.47 -0.27 2.72 2.02 0.36 -1.02 118.70 125.01 2c4q s GLU 63 Ca -0.01 -0.63 -0.06 0.00 0.02 0.00 0.00 54.97 54.29 2c4q s GLU 63 Cb -0.08 -2.21 -0.00 0.00 0.10 0.00 0.00 34.13 31.93 2c4q s GLU 63 CO 0.01 -0.22 0.06 0.08 0.02 0.00 0.00 175.26 175.21 2c4q s VAL 64 N 1.41 3.96 0.26 2.63 1.01 -0.50 -2.47 120.40 126.69 2c4q s VAL 64 Ca 0.04 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 2c4q s VAL 64 Cb -0.13 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2c4q s VAL 64 CO -0.11 0.18 0.48 -2.16 0.00 0.00 0.00 175.10 173.50 2c4q s PRO 65 N 1.52 3.56 -0.46 2.72 0.04 -1.26 -0.67 135.00 140.46 2c4q s PRO 65 Ca 0.04 -0.20 -0.08 0.00 0.04 0.00 0.00 61.00 60.80 2c4q s PRO 65 Cb -0.16 -2.73 0.11 0.00 0.04 0.00 0.00 34.50 31.76 2c4q s PRO 65 CO 0.02 0.29 0.31 0.21 0.04 0.00 0.00 177.00 177.87 2c4q s LYS 66 N -3.56 2.42 0.42 4.56 2.47 -0.45 -4.98 119.74 120.61 2c4q s LYS 66 Ca 0.41 -1.74 -0.24 0.00 -1.56 0.00 0.00 55.97 52.84 2c4q s LYS 66 Cb -0.11 -3.86 -0.08 0.00 -1.46 0.00 0.00 37.83 32.33 2c4q s LYS 66 CO 0.30 -1.15 1.13 0.14 0.16 0.00 0.00 175.35 175.93 2c4q s VAL 67 N 1.34 3.33 0.22 4.02 -7.23 -1.26 0.14 120.40 120.95 2c4q s VAL 67 Ca 0.06 1.05 -0.22 0.00 -1.81 0.00 0.00 61.98 61.05 2c4q s VAL 67 Cb -0.25 -3.55 0.05 0.00 0.56 0.00 0.00 36.38 33.18 2c4q s VAL 67 CO -0.01 0.03 0.65 0.00 -0.31 0.00 0.00 175.10 175.47 2c4q s ALA 68 N -1.54 -1.40 -0.22 1.32 0.00 -0.39 -4.73 121.76 114.79 2c4q s ALA 68 Ca 0.59 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 2c4q s ALA 68 Cb -0.27 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 2c4q s ALA 68 CO 0.33 -0.90 -0.02 0.99 0.00 0.00 0.00 175.76 176.17 2c4q s THR 69 N -3.83 3.56 -0.05 0.00 2.01 -1.26 -0.95 115.64 115.11 2c4q s THR 69 Ca 0.06 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.67 2c4q s THR 69 Cb -0.03 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 2c4q s THR 69 CO -0.03 0.41 -0.15 -1.58 -0.69 0.00 0.00 174.62 172.58 2c4q s GLN 70 N 1.49 2.49 -0.40 4.92 0.74 -0.36 -4.91 119.66 123.63 2c4q s GLN 70 Ca 0.06 -0.70 -0.17 0.00 0.05 0.00 0.00 55.36 54.59 2c4q s GLN 70 Cb -0.14 -2.37 0.01 0.00 1.10 0.00 0.00 33.01 31.61 2c4q s GLN 70 CO -0.02 0.62 0.46 0.99 -0.55 0.00 0.00 175.29 176.79 2c4q s THR 71 N -0.73 5.06 -0.12 -0.34 2.01 -1.26 -0.55 115.64 119.71 2c4q s THR 71 Ca 0.11 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.03 2c4q s THR 71 Cb -0.11 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.41 2c4q s THR 71 CO 0.00 -0.34 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.70 2c4q s VAL 72 N 2.23 1.88 -1.49 3.82 1.01 0.25 -4.65 120.40 123.45 2c4q s VAL 72 Ca 0.14 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 2c4q s VAL 72 Cb -0.16 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.57 2c4q s VAL 72 CO 0.14 0.52 0.74 0.61 0.00 0.00 0.00 175.10 177.10 2c4q n GLY 73 N 4.03 -0.52 2.40 4.51 0.00 -1.26 -1.48 105.19 112.86 2c4q n GLY 73 Ca -0.20 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.59 0.68 3.21 -0.02 0.00 -1.26 -5.01 105.19 101.20 2c4q n GLY 74 Ca -0.06 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.92 1.54 -0.18 1.61 1.01 -0.55 -5.09 120.40 116.82 2c4q s VAL 75 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 2c4q s VAL 75 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2c4q s VAL 75 CO 0.00 0.30 0.68 -1.61 0.00 0.00 0.00 175.10 174.47 2c4q s GLU 76 N -0.80 4.25 0.04 2.72 2.02 -1.26 -0.58 118.70 125.09 2c4q s GLU 76 Ca 0.07 0.73 0.08 0.00 0.02 0.00 0.00 54.97 55.87 2c4q s GLU 76 Cb -0.08 -3.56 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 2c4q s GLU 76 CO 0.00 -0.23 -0.23 -0.51 0.02 0.00 0.00 175.26 174.32 2c4q s LEU 77 N 1.85 2.17 -0.04 1.80 1.43 0.29 -4.95 118.68 121.23 2c4q s LEU 77 Ca 0.32 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.57 2c4q s LEU 77 Cb -0.16 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 2c4q s LEU 77 CO 0.11 0.19 1.00 -2.16 0.23 0.00 0.00 176.35 175.73 2c4q s PRO 78 N -1.20 4.50 0.20 1.29 0.04 -1.26 -1.22 135.00 137.34 2c4q s PRO 78 Ca 0.09 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 2c4q s PRO 78 Cb -0.09 -3.49 0.01 0.00 0.04 0.00 0.00 34.50 30.97 2c4q s PRO 78 CO 0.02 -0.17 0.29 1.55 0.04 0.00 0.00 177.00 178.73 2c4q n VAL 79 N 4.16 0.00 -4.21 -0.36 3.14 -0.13 -4.75 118.33 116.19 2c4q n VAL 79 Ca 0.07 -0.96 -0.34 0.00 -2.96 0.00 0.00 64.34 60.15 2c4q n VAL 79 Cb 0.50 0.61 -0.15 0.00 -1.06 0.00 0.00 33.84 33.74 2c4q n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2c4q s ALA 80 N -2.20 2.49 0.21 1.55 0.00 -1.25 -1.27 121.76 121.30 2c4q s ALA 80 Ca 0.16 -1.15 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 2c4q s ALA 80 Cb -0.01 -1.32 0.21 0.00 0.00 0.00 0.00 23.12 22.01 2c4q s ALA 80 CO 0.11 -0.27 1.82 0.00 0.00 0.00 0.00 175.76 177.42 2c4q h ALA 81 N 7.78 0.88 -2.57 0.00 0.00 -0.60 -3.46 119.26 121.29 2c4q h ALA 81 Ca -0.40 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.64 2c4q h ALA 81 Cb 1.16 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 2c4q h ALA 81 CO 0.61 0.09 0.43 1.67 0.00 0.00 0.00 179.25 182.04 2c4q s TRP 82 N -6.11 -0.08 0.05 0.00 1.48 -1.25 -5.03 118.94 108.00 2c4q s TRP 82 Ca -0.13 -0.31 0.03 0.00 -1.06 0.00 0.00 56.10 54.63 2c4q s TRP 82 Cb 0.16 0.68 -0.03 0.00 -1.16 0.00 0.00 33.47 33.13 2c4q s TRP 82 CO 0.76 -1.00 -0.09 1.03 -4.06 0.00 0.00 176.95 173.59 2c4q s ARG 83 N -3.14 0.58 -0.10 3.25 0.52 -1.26 -1.34 118.95 117.45 2c4q s ARG 83 Ca 0.14 -0.80 -0.03 0.00 -0.52 0.00 0.00 55.73 54.52 2c4q s ARG 83 Cb -0.03 -0.38 -0.03 0.00 0.52 0.00 0.00 34.95 35.03 2c4q s ARG 83 CO 0.05 0.07 0.01 0.45 0.02 0.00 0.00 175.30 175.89 2c4q s SER 84 N -1.63 5.25 -0.11 0.23 0.15 0.16 -4.96 113.70 112.80 2c4q s SER 84 Ca -0.08 0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.72 2c4q s SER 84 Cb -0.10 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 2c4q s SER 84 CO 0.01 0.34 -0.22 -0.31 1.20 0.00 0.00 173.24 174.25 2c4q s TYR 85 N -0.63 2.45 -0.21 3.44 1.51 -1.26 -1.42 117.35 121.24 2c4q s TYR 85 Ca 0.10 -1.06 -0.03 0.00 -1.01 0.00 0.00 57.07 55.08 2c4q s TYR 85 Cb -0.12 -1.66 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 2c4q s TYR 85 CO 0.02 -0.45 -0.07 -1.17 -1.11 0.00 0.00 175.55 172.77 2c4q s LEU 86 N 0.50 2.79 -0.16 -1.29 2.96 -0.19 -4.99 118.68 118.30 2c4q s LEU 86 Ca -0.15 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 2c4q s LEU 86 Cb -0.17 -1.70 0.02 0.00 0.50 0.00 0.00 46.19 44.85 2c4q s LEU 86 CO 0.06 0.00 -0.15 0.20 -1.32 0.00 0.00 176.35 175.13 2c4q s ASN 87 N 1.34 2.89 0.01 3.68 0.01 -1.26 -1.09 114.94 120.52 2c4q s ASN 87 Ca 0.04 -0.58 0.04 0.00 -0.71 0.00 0.00 52.86 51.65 2c4q s ASN 87 Cb -0.14 -1.28 -0.01 0.00 0.41 0.00 0.00 41.25 40.23 2c4q s ASN 87 CO -0.04 -0.05 -0.13 0.00 -1.51 0.00 0.00 177.10 175.38 2c4q s MET 88 N 1.42 0.96 -0.09 -0.60 0.23 0.01 -5.01 119.30 116.22 2c4q s MET 88 Ca 0.04 -0.57 0.03 0.00 -1.03 0.00 0.00 55.69 54.16 2c4q s MET 88 Cb -0.13 -0.94 0.01 0.00 -1.53 0.00 0.00 34.83 32.24 2c4q s MET 88 CO -0.11 0.25 -0.18 -1.21 -2.03 0.00 0.00 175.02 171.74 2c4q s GLU 89 N -0.64 2.35 -0.21 3.16 2.02 -1.26 -1.07 118.70 123.05 2c4q s GLU 89 Ca 0.03 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.41 2c4q s GLU 89 Cb -0.06 -1.86 0.04 0.00 0.10 0.00 0.00 34.13 32.34 2c4q s GLU 89 CO 0.00 0.07 -0.15 -1.17 0.02 0.00 0.00 175.26 174.03 2c4q s LEU 90 N 0.59 2.53 -0.28 1.80 2.96 -0.23 -4.96 118.68 121.10 2c4q s LEU 90 Ca -0.15 -0.91 -0.09 0.00 -0.22 0.00 0.00 54.13 52.77 2c4q s LEU 90 Cb -0.17 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2c4q s LEU 90 CO 0.05 -0.08 0.13 -0.89 -1.32 0.00 0.00 176.35 174.23 2c4q s THR 91 N 1.26 4.66 -0.10 3.68 2.01 -1.26 -0.65 115.64 125.24 2c4q s THR 91 Ca -0.00 -0.16 0.04 0.00 0.31 0.00 0.00 61.69 61.88 2c4q s THR 91 Cb -0.16 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.10 2c4q s THR 91 CO -0.10 0.23 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.21 2c4q s ILE 92 N 1.65 2.17 0.48 1.82 1.01 -0.05 -4.96 121.20 123.32 2c4q s ILE 92 Ca 0.06 -0.98 -0.22 0.00 0.00 0.00 0.00 60.65 59.51 2c4q s ILE 92 Cb -0.16 -1.83 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 2c4q s ILE 92 CO 0.06 0.56 1.16 -2.16 0.00 0.00 0.00 174.94 174.56 2c4q s PRO 93 N 0.34 3.64 0.42 2.79 0.04 -1.26 -1.30 135.00 139.67 2c4q s PRO 93 Ca -0.18 1.76 0.29 0.00 0.04 0.00 0.00 61.00 62.90 2c4q s PRO 93 Cb -0.18 -2.31 1.51 0.00 0.04 0.00 0.00 34.50 33.56 2c4q s PRO 93 CO 0.09 -0.64 1.88 -0.84 0.04 0.00 0.00 177.00 177.53 2c4q h ILE 94 N 1.70 0.00 -0.00 0.56 3.07 -1.72 -1.98 117.51 119.15 2c4q h ILE 94 Ca -0.50 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 65.85 2c4q h ILE 94 Cb 1.25 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 2c4q h ILE 94 CO 0.59 0.00 -0.03 0.49 -1.05 0.00 0.00 178.15 178.15 2c4q n PHE 95 N -2.53 0.00 -2.35 0.16 3.72 -1.26 -4.83 117.46 110.36 2c4q n PHE 95 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2c4q n PHE 95 Cb 0.09 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 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 -2.49 3.50 0.94 4.37 0.00 -0.75 -5.03 121.76 122.30 2c4q s ALA 96 Ca 0.30 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 2c4q s ALA 96 Cb 0.20 -3.52 0.20 0.00 0.00 0.00 0.00 23.12 20.00 2c4q s ALA 96 CO 0.46 -0.71 1.28 0.95 0.00 0.00 0.00 175.76 177.74 2c4q s THR 97 N 1.88 2.01 0.26 0.00 -4.23 -1.26 -4.86 115.64 109.44 2c4q s THR 97 Ca 0.60 -0.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.97 2c4q s THR 97 Cb -0.29 -2.90 0.14 0.00 1.34 0.00 0.00 72.50 70.79 2c4q s THR 97 CO 0.26 0.00 1.79 0.78 -0.54 0.00 0.00 174.62 176.91 2c4q h ASN 98 N -1.50 0.85 0.60 3.99 4.21 -1.99 -1.98 115.58 119.75 2c4q h ASN 98 Ca -0.43 -0.17 -0.09 0.00 1.21 0.00 0.00 56.30 56.83 2c4q h ASN 98 Cb 1.23 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 2c4q h ASN 98 CO 0.35 0.84 -0.41 0.77 -1.29 0.00 0.00 177.43 177.69 2c4q h SER 99 N 0.87 0.00 -0.18 5.81 4.64 -1.99 -1.53 113.55 121.17 2c4q h SER 99 Ca 0.19 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.37 2c4q h SER 99 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2c4q h SER 99 CO 0.00 0.41 -0.37 0.44 -0.87 0.00 0.00 176.83 176.45 2c4q h ASP 100 N 0.00 0.74 0.46 4.97 3.32 -1.74 -2.85 116.42 121.32 2c4q h ASP 100 Ca -0.00 -0.32 -0.16 0.00 0.02 0.00 0.00 57.03 56.57 2c4q h ASP 100 Cb 0.82 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2c4q h ASP 100 CO 0.05 1.03 -0.67 0.00 -1.72 0.00 0.00 179.24 177.94 2c4q h GLU 102 N 0.13 0.05 -0.35 0.00 5.08 -1.19 -1.88 114.58 116.43 2c4q h GLU 102 Ca -0.01 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2c4q h GLU 102 Cb 1.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2c4q h GLU 102 CO 0.10 0.31 -0.22 1.25 -1.00 0.00 0.00 179.01 179.45 2c4q h LEU 103 N 0.04 0.68 -0.31 1.33 5.85 -1.26 -1.41 115.31 120.22 2c4q h LEU 103 Ca 0.01 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.37 2c4q h LEU 103 Cb 0.49 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2c4q h LEU 103 CO 0.04 0.89 -0.26 0.40 -0.34 0.00 0.00 178.44 179.17 2c4q h ILE 104 N 0.59 1.30 -0.56 4.05 2.04 -1.25 -2.18 117.51 121.49 2c4q h ILE 104 Ca 0.09 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.50 2c4q h ILE 104 Cb 0.70 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 2c4q h ILE 104 CO 0.05 0.46 0.23 0.58 0.00 0.00 0.00 178.15 179.47 2c4q h VAL 105 N 0.49 1.22 -0.65 1.67 2.07 -1.16 -1.95 116.25 117.94 2c4q h VAL 105 Ca 0.06 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2c4q h VAL 105 Cb 0.82 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2c4q h VAL 105 CO 0.07 0.26 0.27 0.11 0.02 0.00 0.00 177.57 178.30 2c4q h LYS 106 N 0.77 0.95 -0.67 1.57 1.57 -1.22 -1.52 116.57 118.03 2c4q h LYS 106 Ca 0.19 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2c4q h LYS 106 Cb 0.19 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2c4q h LYS 106 CO -0.02 0.77 0.13 0.00 -0.57 0.00 0.00 179.45 179.76 2c4q h ALA 107 N 1.36 0.88 -0.10 3.86 0.00 -1.04 -0.21 119.26 124.01 2c4q h ALA 107 Ca 0.22 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2c4q h ALA 107 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2c4q h ALA 107 CO -0.02 0.63 -0.37 0.52 0.00 0.00 0.00 179.25 180.01 2c4q h MET 108 N 1.01 0.20 -0.05 0.00 2.86 -0.92 -0.97 114.93 117.06 2c4q h MET 108 Ca 0.20 -0.09 -0.24 0.00 -2.06 0.00 0.00 59.70 57.52 2c4q h MET 108 Cb 0.41 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.07 2c4q h MET 108 CO 0.01 0.55 -0.91 1.96 1.06 0.00 0.00 176.91 179.58 2c4q h GLN 109 N 0.17 0.63 -0.07 1.72 4.20 -0.91 -3.14 115.11 117.72 2c4q h GLN 109 Ca 0.02 -0.61 -0.12 0.00 0.06 0.00 0.00 58.65 58.00 2c4q h GLN 109 Cb 0.74 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 2c4q h GLN 109 CO 0.06 1.22 -0.51 0.78 -0.67 0.00 0.00 178.83 179.70 2c4q h GLY 110 N 0.74 0.19 1.09 3.46 0.00 -0.87 -2.52 103.07 105.16 2c4q h GLY 110 Ca -0.09 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.04 2c4q h GLY 110 CO 0.17 0.19 0.61 -2.00 0.00 0.00 0.00 176.54 175.52 2c4q h LEU 111 N 0.14 1.07 -2.35 3.11 5.85 -1.17 -3.05 115.31 118.92 2c4q h LEU 111 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2c4q h LEU 111 Cb 0.96 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2c4q h LEU 111 CO 0.08 0.78 0.00 0.18 -0.34 0.00 0.00 178.44 179.14 2c4q n LEU 112 N -4.39 3.43 -4.77 2.25 4.77 -1.15 -4.37 117.00 112.77 2c4q n LEU 112 Ca 0.11 -1.53 -0.41 0.00 -0.03 0.00 0.00 56.01 54.15 2c4q n LEU 112 Cb 0.02 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 2c4q n LEU 112 CO 0.37 0.74 1.06 -0.75 -1.33 0.00 0.00 177.39 177.48 2c4q s LYS 113 N -1.43 4.23 0.23 3.23 2.20 -0.96 -4.80 119.74 122.46 2c4q s LYS 113 Ca 0.38 2.39 -0.31 0.00 -0.36 0.00 0.00 55.97 58.07 2c4q s LYS 113 Cb 0.22 -3.02 -0.14 0.00 -1.51 0.00 0.00 37.83 33.38 2c4q s LYS 113 CO 0.31 -0.36 1.25 -0.25 -0.36 0.00 0.00 175.35 175.94 2c4q n ASP 114 N 0.64 2.05 0.00 1.43 8.00 -1.26 -1.95 116.55 125.46 2c4q n ASP 114 Ca 0.01 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.66 2c4q n ASP 114 Cb 0.40 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 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 1.84 3.31 3.84 0.44 0.00 -1.26 -5.05 105.19 108.31 2c4q n GLY 115 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.66 5.90 0.05 1.61 0.01 -0.82 -4.89 114.94 116.14 2c4q s ASN 116 Ca 0.00 1.53 -0.11 0.00 -0.71 0.00 0.00 52.86 53.57 2c4q s ASN 116 Cb 0.00 -2.49 -0.03 0.00 0.41 0.00 0.00 41.25 39.14 2c4q s ASN 116 CO 0.00 -1.09 1.19 -0.65 -1.51 0.00 0.00 177.10 175.04 2c4q h PRO 117 N -0.33 -0.05 -0.05 -0.60 0.11 -1.89 -2.43 132.00 126.76 2c4q h PRO 117 Ca -0.44 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.70 2c4q h PRO 117 Cb 1.20 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2c4q h PRO 117 CO 0.60 -0.03 -0.16 0.82 -0.21 0.00 0.00 178.00 179.01 2c4q h ILE 118 N -0.05 0.59 0.00 4.15 2.04 -1.95 -0.87 117.51 121.43 2c4q h ILE 118 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 2c4q h ILE 118 Cb 0.16 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2c4q h ILE 118 CO -0.28 0.00 -0.12 1.55 0.00 0.00 0.00 178.15 179.30 2c4q h PRO 119 N -0.24 0.00 -0.37 2.37 0.13 -1.75 -2.31 132.00 129.83 2c4q h PRO 119 Ca 0.07 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.04 2c4q h PRO 119 Cb 0.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 2c4q h PRO 119 CO -0.19 0.12 -0.40 0.77 -0.23 0.00 0.00 178.00 178.06 2c4q h SER 120 N 0.00 0.98 -0.02 1.44 0.02 -0.78 -2.31 113.55 112.87 2c4q h SER 120 Ca -0.00 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 2c4q h SER 120 Cb 0.35 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 2c4q h SER 120 CO 0.02 1.25 -0.01 0.00 -1.14 0.00 0.00 176.83 176.95 2c4q h ALA 121 N 0.79 0.03 -0.47 3.77 0.00 -0.82 -2.77 119.26 119.80 2c4q h ALA 121 Ca 0.06 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2c4q h ALA 121 Cb 1.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2c4q h ALA 121 CO 0.10 -0.25 0.21 0.82 0.00 0.00 0.00 179.25 180.12 2c4q h ILE 122 N -0.35 0.91 0.00 0.00 2.04 -1.46 -1.71 117.51 116.94 2c4q h ILE 122 Ca 0.00 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2c4q h ILE 122 Cb 0.42 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2c4q h ILE 122 CO 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 178.15 178.21 2c4q h ALA 123 N 1.28 1.01 -0.51 1.87 0.00 -1.45 -2.76 119.26 118.70 2c4q h ALA 123 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2c4q h ALA 123 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2c4q h ALA 123 CO -0.18 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.09 2c4q n ALA 124 N -2.10 2.33 -3.71 0.00 0.00 -0.71 -4.97 120.51 111.34 2c4q n ALA 124 Ca -0.00 -1.16 -0.25 0.00 0.00 0.00 0.00 53.44 52.02 2c4q n ALA 124 Cb 0.26 -0.73 0.06 0.00 0.00 0.00 0.00 19.45 19.04 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 1.22 -4.90 -3.67 0.00 3.02 -0.80 -4.99 115.26 105.14 2c4q n ASN 125 Ca 0.19 -0.66 -0.20 0.00 -0.03 0.00 0.00 54.58 53.88 2c4q n ASN 125 Cb 0.54 -4.54 -0.08 0.00 -0.61 0.00 0.00 39.78 35.09 2c4q n ASN 125 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2c4q s SER 126 N -3.52 1.75 0.09 6.41 1.04 -0.78 -5.06 113.70 113.64 2c4q s SER 126 Ca 0.50 -1.68 0.00 0.00 0.48 0.00 0.00 55.95 55.25 2c4q s SER 126 Cb -0.24 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2c4q s SER 126 CO 0.77 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2c4q n GLY 127 N -0.64 1.46 3.76 7.32 0.00 -1.26 -4.34 105.19 111.49 2c4q n GLY 127 Ca 0.03 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 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 1.10 5.38 0.00 -0.61 -1.09 -1.26 -4.81 121.20 119.91 2c4q s ILE 128 Ca 0.00 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 2c4q s ILE 128 Cb 0.00 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 2c4q s ILE 128 CO 0.00 0.49 0.00 0.00 -1.23 0.00 0.00 174.94 174.20