#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 2.74 -0.53 0.00 2.88 -1.26 -4.84 113.62 112.61 2c4q n SER 2 Ca 0.00 1.04 0.07 0.00 -1.33 0.00 0.00 58.87 58.65 2c4q n SER 2 Cb 0.00 -1.22 0.05 0.00 -0.75 0.00 0.00 64.21 62.29 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 5.74 2.10 -4.10 -3.46 0.23 -1.26 -4.81 115.26 109.70 2c4q n ASN 3 Ca 0.25 -1.55 -0.43 0.00 -0.53 0.00 0.00 54.58 52.33 2c4q n ASN 3 Cb 0.19 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 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 0.73 4.00 -4.43 -2.53 7.35 -1.26 -4.90 117.46 116.41 2c4q n PHE 4 Ca 0.08 -2.94 -0.21 0.00 -0.76 0.00 0.00 57.45 53.62 2c4q n PHE 4 Cb 0.33 -2.51 -0.11 0.00 0.35 0.00 0.00 39.48 37.55 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 3.22 1.23 0.50 -2.13 -4.23 -1.26 -4.88 115.64 108.09 2c4q s THR 5 Ca 0.49 -2.02 -0.23 0.00 -1.18 0.00 0.00 61.69 58.75 2c4q s THR 5 Cb 0.09 -2.68 -0.06 0.00 1.34 0.00 0.00 72.50 71.18 2c4q s THR 5 CO -0.01 -0.09 1.28 -1.58 -0.54 0.00 0.00 174.62 173.68 2c4q s GLN 6 N -3.86 3.47 0.16 3.99 0.74 -1.26 -4.71 119.66 118.17 2c4q s GLN 6 Ca 0.34 2.07 -0.17 0.00 0.05 0.00 0.00 55.36 57.65 2c4q s GLN 6 Cb 0.08 -2.37 0.03 0.00 1.10 0.00 0.00 33.01 31.85 2c4q s GLN 6 CO 0.14 -0.88 0.46 -0.59 -0.55 0.00 0.00 175.29 173.88 2c4q s PHE 7 N -1.38 -0.18 -0.35 1.67 -0.71 -0.65 -5.00 117.98 111.38 2c4q s PHE 7 Ca 0.67 -0.14 -0.25 0.00 -1.04 0.00 0.00 56.93 56.17 2c4q s PHE 7 Cb -0.36 0.33 0.01 0.00 -1.21 0.00 0.00 43.02 41.79 2c4q s PHE 7 CO 0.43 -0.80 0.86 0.08 -1.34 0.00 0.00 175.22 174.46 2c4q s VAL 8 N -3.83 4.67 -0.16 -2.49 1.01 -1.26 -1.20 120.40 117.13 2c4q s VAL 8 Ca 0.06 1.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.92 2c4q s VAL 8 Cb 0.01 -4.26 -0.23 0.00 0.00 0.00 0.00 36.38 31.89 2c4q s VAL 8 CO -0.08 -0.44 0.53 0.25 0.00 0.00 0.00 175.10 175.37 2c4q h LEU 9 N 9.83 0.03 -8.16 3.92 5.85 -1.50 -3.44 115.31 121.84 2c4q h LEU 9 Ca -0.24 -0.79 -0.68 0.00 0.84 0.00 0.00 57.88 57.01 2c4q h LEU 9 Cb 1.09 -0.01 -0.31 0.00 0.37 0.00 0.00 40.66 41.80 2c4q h LEU 9 CO 0.94 1.24 -0.69 -0.69 -0.34 0.00 0.00 178.44 178.90 2c4q s VAL 10 N -2.29 3.25 -0.44 1.05 1.01 -1.08 -5.00 120.40 116.90 2c4q s VAL 10 Ca -0.23 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.45 2c4q s VAL 10 Cb 0.01 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.66 2c4q s VAL 10 CO 0.66 0.01 0.52 -0.62 0.00 0.00 0.00 175.10 175.66 2c4q s ASP 11 N 1.34 6.23 -0.45 3.32 2.15 -1.26 -1.01 116.67 126.99 2c4q s ASP 11 Ca -0.02 -0.63 0.04 0.00 0.43 0.00 0.00 52.55 52.37 2c4q s ASP 11 Cb -0.18 -2.26 0.50 0.00 -0.30 0.00 0.00 42.92 40.68 2c4q s ASP 11 CO -0.01 -0.68 1.69 0.59 -0.17 0.00 0.00 175.17 176.59 2c4q n ASN 12 N 5.84 5.10 -3.40 -0.34 3.02 -1.26 -4.94 115.26 119.28 2c4q n ASN 12 Ca -0.06 -3.75 -0.20 0.00 -0.03 0.00 0.00 54.58 50.53 2c4q n ASN 12 Cb 0.47 -0.73 0.06 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.96 -1.06 4.73 7.41 0.00 -1.26 -3.41 105.19 110.64 2c4q n GLY 13 Ca 0.51 0.52 0.00 0.00 0.00 0.00 0.00 46.02 47.05 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 -1.38 1.36 3.56 -0.02 0.00 -1.26 -4.93 105.19 102.53 2c4q n GLY 14 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 2c4q n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2c4q s THR 15 N 0.00 5.21 0.00 2.61 -1.32 -1.22 -4.21 115.64 116.71 2c4q s THR 15 Ca 0.00 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 2c4q s THR 15 Cb 0.00 -3.54 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 2c4q s THR 15 CO 0.00 0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.20 2c4q n GLY 16 N 5.06 0.60 3.77 6.08 0.00 -1.26 -4.66 105.19 114.78 2c4q n GLY 16 Ca -0.14 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.65 5.84 -0.28 1.61 1.11 -1.26 -4.60 116.67 116.43 2c4q s ASP 17 Ca 0.00 2.32 -0.06 0.00 0.18 0.00 0.00 52.55 54.98 2c4q s ASP 17 Cb 0.00 -2.60 0.01 0.00 1.07 0.00 0.00 42.92 41.40 2c4q s ASP 17 CO 0.00 -1.14 0.06 -0.69 1.18 0.00 0.00 175.17 174.58 2c4q s VAL 18 N -1.60 3.90 -0.01 -1.27 1.01 -0.18 -4.99 120.40 117.27 2c4q s VAL 18 Ca 0.69 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 2c4q s VAL 18 Cb -0.28 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2c4q s VAL 18 CO 0.33 0.13 0.17 -0.89 0.00 0.00 0.00 175.10 174.84 2c4q s THR 19 N 1.50 5.35 -0.06 3.92 2.01 -1.26 -1.20 115.64 125.89 2c4q s THR 19 Ca 0.03 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 61.87 2c4q s THR 19 Cb -0.17 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.85 2c4q s THR 19 CO 0.02 0.32 -0.17 0.54 -0.69 0.00 0.00 174.62 174.64 2c4q s VAL 20 N -1.31 1.48 0.13 3.82 0.11 -0.34 -4.36 120.40 119.91 2c4q s VAL 20 Ca 0.27 -0.71 0.08 0.00 -2.93 0.00 0.00 61.98 58.69 2c4q s VAL 20 Cb -0.13 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 33.40 2c4q s VAL 20 CO 0.18 0.43 -0.20 0.00 -3.33 0.00 0.00 175.10 172.18 2c4q s ALA 21 N 0.26 1.92 0.06 1.54 0.00 -0.64 -1.63 121.76 123.27 2c4q s ALA 21 Ca -0.10 -1.35 -0.36 0.00 0.00 0.00 0.00 51.96 50.15 2c4q s ALA 21 Cb -0.14 -0.23 -0.16 0.00 0.00 0.00 0.00 23.12 22.59 2c4q s ALA 21 CO 0.04 0.32 1.43 -2.30 0.00 0.00 0.00 175.76 175.26 2c4q n PRO 22 N 0.77 1.35 0.00 0.00 -0.02 -1.26 -1.44 135.00 134.40 2c4q n PRO 22 Ca -0.17 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2c4q n PRO 22 Cb 0.55 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 3.06 0.01 -3.58 2.55 3.41 0.26 -4.85 113.62 114.48 2c4q n SER 23 Ca 0.19 -0.15 -0.10 0.00 -0.26 0.00 0.00 58.87 58.55 2c4q n SER 23 Cb 0.20 0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.31 -0.37 0.00 4.04 3.84 -1.21 -4.98 114.94 115.94 2c4q s ASN 24 Ca 0.00 0.44 0.03 0.00 0.21 0.00 0.00 52.86 53.54 2c4q s ASN 24 Cb 0.00 0.36 0.05 0.00 -0.55 0.00 0.00 41.25 41.11 2c4q s ASN 24 CO 0.00 -0.32 1.00 0.33 -2.79 0.00 0.00 177.10 175.32 2c4q n PHE 25 N 0.88 0.00 -1.89 0.43 7.35 -1.26 -1.25 117.46 121.72 2c4q n PHE 25 Ca -0.10 -0.06 -0.42 0.00 -0.76 0.00 0.00 57.45 56.10 2c4q n PHE 25 Cb 0.58 -0.05 -0.03 0.00 0.35 0.00 0.00 39.48 40.33 2c4q n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2c4q s ALA 26 N 0.00 3.74 -1.17 3.13 0.00 -1.25 -3.08 121.76 123.13 2c4q s ALA 26 Ca 0.04 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2c4q s ALA 26 Cb 0.05 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2c4q s ALA 26 CO -0.02 -1.01 0.00 0.09 0.00 0.00 0.00 175.76 174.82 2c4q n ASN 27 N 5.00 -4.21 0.00 0.00 3.02 -1.26 -2.78 115.26 115.04 2c4q n ASN 27 Ca 0.15 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2c4q n ASN 27 Cb 0.39 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.19 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 -1.02 1.28 3.53 7.41 0.00 -1.18 -4.97 105.19 110.24 2c4q n GLY 28 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.09 4.80 0.20 1.61 1.01 -1.12 -4.70 120.40 119.12 2c4q s VAL 29 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 2c4q s VAL 29 Cb 0.00 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 2c4q s VAL 29 CO 0.00 -0.59 0.95 0.00 0.00 0.00 0.00 175.10 175.46 2c4q s ALA 30 N 2.89 3.31 0.03 5.51 0.00 -0.78 -3.92 121.76 128.80 2c4q s ALA 30 Ca 0.24 0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.86 2c4q s ALA 30 Cb -0.14 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 2c4q s ALA 30 CO 0.19 0.13 -0.15 -2.00 0.00 0.00 0.00 175.76 173.93 2c4q s GLU 31 N -0.79 1.02 -0.01 0.00 2.12 -0.38 -1.63 118.70 119.02 2c4q s GLU 31 Ca 0.43 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 55.04 2c4q s GLU 31 Cb -0.25 -1.03 -0.00 0.00 0.26 0.00 0.00 34.13 33.11 2c4q s GLU 31 CO 0.31 0.26 -0.07 -1.58 -0.54 0.00 0.00 175.26 173.64 2c4q s TRP 32 N -0.77 0.70 0.05 5.30 0.51 0.22 -0.57 118.94 124.38 2c4q s TRP 32 Ca 0.03 -0.15 -0.00 0.00 -2.12 0.00 0.00 56.10 53.86 2c4q s TRP 32 Cb -0.08 -0.48 -0.04 0.00 -0.81 0.00 0.00 33.47 32.06 2c4q s TRP 32 CO 0.01 -0.05 -0.04 0.96 -0.51 0.00 0.00 176.95 177.33 2c4q s ILE 33 N 0.03 0.27 0.72 2.03 -4.36 -0.52 -0.97 121.20 118.41 2c4q s ILE 33 Ca -0.00 -1.67 -0.07 0.00 -0.26 0.00 0.00 60.65 58.64 2c4q s ILE 33 Cb -0.05 -1.33 0.07 0.00 1.25 0.00 0.00 42.46 42.40 2c4q s ILE 33 CO -0.00 -0.89 1.04 -0.94 0.24 0.00 0.00 174.94 174.38 2c4q s SER 34 N -2.68 4.72 -1.35 4.36 1.04 -0.61 -1.61 113.70 117.56 2c4q s SER 34 Ca 0.04 0.47 -0.16 0.00 0.48 0.00 0.00 55.95 56.77 2c4q s SER 34 Cb 0.05 -1.08 0.06 0.00 0.10 0.00 0.00 66.02 65.15 2c4q s SER 34 CO -0.08 -1.67 1.90 -0.24 0.98 0.00 0.00 173.24 174.14 2c4q n SER 35 N -2.99 4.58 -3.17 7.02 2.88 -1.26 -4.76 113.62 115.92 2c4q n SER 35 Ca 0.08 -2.90 -0.16 0.00 -1.33 0.00 0.00 58.87 54.57 2c4q n SER 35 Cb 0.60 -1.71 -0.04 0.00 -0.75 0.00 0.00 64.21 62.31 2c4q n SER 35 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2c4q s ASN 36 N 3.83 1.11 0.63 -3.46 0.01 -1.26 -5.07 114.94 110.72 2c4q s ASN 36 Ca 0.51 -1.56 -0.14 0.00 -0.71 0.00 0.00 52.86 50.96 2c4q s ASN 36 Cb 0.07 0.67 -0.02 0.00 0.41 0.00 0.00 41.25 42.38 2c4q s ASN 36 CO 0.02 -1.30 1.06 -0.94 -1.51 0.00 0.00 177.10 174.44 2c4q s SER 37 N -3.27 5.59 0.39 -1.22 1.04 -1.26 -4.79 113.70 110.18 2c4q s SER 37 Ca 0.32 1.78 0.28 0.00 0.48 0.00 0.00 55.95 58.81 2c4q s SER 37 Cb -0.00 -2.52 1.29 0.00 0.10 0.00 0.00 66.02 64.88 2c4q s SER 37 CO 0.22 -1.30 1.85 0.03 0.98 0.00 0.00 173.24 175.02 2c4q h ARG 38 N 0.06 0.00 0.00 4.02 3.08 -1.96 -1.12 114.38 118.46 2c4q h ARG 38 Ca -0.46 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.54 2c4q h ARG 38 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 2c4q h ARG 38 CO 0.57 0.00 -0.24 0.66 -1.07 0.00 0.00 179.97 179.88 2c4q h SER 39 N 0.00 0.00 -0.05 7.04 4.64 -1.98 -3.30 113.55 119.89 2c4q h SER 39 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c4q h SER 39 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2c4q h SER 39 CO 0.00 0.24 0.00 0.00 -0.87 0.00 0.00 176.83 176.20 2c4q n GLN 40 N -3.18 2.32 -2.09 4.77 6.02 -0.75 -5.00 117.38 119.48 2c4q n GLN 40 Ca 0.03 -1.43 -0.30 0.00 -0.01 0.00 0.00 57.00 55.29 2c4q n GLN 40 Cb 0.61 -1.05 0.01 0.00 1.02 0.00 0.00 30.24 30.84 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 -0.85 3.15 -0.16 -1.58 0.00 -0.50 -4.70 121.76 117.13 2c4q s ALA 41 Ca 0.04 -0.27 -0.17 0.00 0.00 0.00 0.00 51.96 51.56 2c4q s ALA 41 Cb 0.02 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2c4q s ALA 41 CO 0.03 -0.69 0.45 0.71 0.00 0.00 0.00 175.76 176.26 2c4q s TYR 42 N -3.09 3.45 0.00 0.00 1.51 -1.26 -4.37 117.35 113.59 2c4q s TYR 42 Ca 0.54 0.78 0.06 0.00 -1.01 0.00 0.00 57.07 57.43 2c4q s TYR 42 Cb -0.11 -2.54 -0.02 0.00 -0.11 0.00 0.00 41.96 39.18 2c4q s TYR 42 CO 0.51 0.09 -0.19 0.21 -1.11 0.00 0.00 175.55 175.06 2c4q s LYS 43 N 0.93 1.43 -0.03 -0.62 2.20 -0.79 -1.58 119.74 121.29 2c4q s LYS 43 Ca 0.23 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 2c4q s LYS 43 Cb -0.15 -1.42 0.02 0.00 -1.51 0.00 0.00 37.83 34.77 2c4q s LYS 43 CO 0.09 0.38 -0.03 0.08 -0.36 0.00 0.00 175.35 175.51 2c4q s VAL 44 N -0.56 0.35 0.08 4.02 1.01 -0.14 -0.91 120.40 124.26 2c4q s VAL 44 Ca 0.07 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.03 2c4q s VAL 44 Cb -0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 2c4q s VAL 44 CO 0.00 0.16 -0.12 0.42 0.00 0.00 0.00 175.10 175.57 2c4q s THR 45 N 0.69 0.95 -0.17 3.92 -4.23 -0.43 -0.61 115.64 115.76 2c4q s THR 45 Ca -0.08 -1.38 -0.18 0.00 -1.18 0.00 0.00 61.69 58.87 2c4q s THR 45 Cb -0.11 -1.08 0.05 0.00 1.34 0.00 0.00 72.50 72.70 2c4q s THR 45 CO -0.01 -0.37 0.50 0.00 -0.54 0.00 0.00 174.62 174.21 2c4q s SER 47 N 0.11 -0.26 0.07 0.00 1.04 -0.75 -1.86 113.70 112.05 2c4q s SER 47 Ca -0.01 -0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.31 2c4q s SER 47 Cb -0.03 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 2c4q s SER 47 CO 0.01 -0.77 -0.15 -0.69 0.98 0.00 0.00 173.24 172.62 2c4q s VAL 48 N -3.19 1.23 0.21 5.02 1.01 -1.26 -1.30 120.40 122.11 2c4q s VAL 48 Ca -0.01 -1.31 -0.20 0.00 0.00 0.00 0.00 61.98 60.46 2c4q s VAL 48 Cb 0.01 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.27 2c4q s VAL 48 CO -0.08 -0.16 0.59 0.00 0.00 0.00 0.00 175.10 175.45 2c4q s ARG 49 N -1.69 1.46 -0.66 2.72 1.70 -0.78 -4.98 118.95 116.71 2c4q s ARG 49 Ca 0.00 -0.80 -0.19 0.00 -0.47 0.00 0.00 55.73 54.28 2c4q s ARG 49 Cb -0.10 0.56 0.11 0.00 -0.57 0.00 0.00 34.95 34.96 2c4q s ARG 49 CO 0.02 -0.64 0.78 -1.14 -1.08 0.00 0.00 175.30 173.25 2c4q s GLN 50 N -3.85 3.17 0.30 3.89 2.00 -1.26 0.48 119.66 124.38 2c4q s GLN 50 Ca 0.08 -1.43 0.01 0.00 -2.00 0.00 0.00 55.36 52.01 2c4q s GLN 50 Cb -0.02 -4.36 0.47 0.00 0.80 0.00 0.00 33.01 29.90 2c4q s GLN 50 CO -0.03 -1.57 1.82 0.66 -0.50 0.00 0.00 175.29 175.66 2c4q h SER 51 N 9.05 0.62 -2.11 6.67 4.64 -1.71 -3.47 113.55 127.25 2c4q h SER 51 Ca -0.20 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 60.92 2c4q h SER 51 Cb 1.07 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 2c4q h SER 51 CO 1.08 0.69 0.02 -1.54 -0.87 0.00 0.00 176.83 176.21 2c4q n SER 52 N -4.24 -0.67 0.17 4.97 3.41 -1.16 -5.00 113.62 111.10 2c4q n SER 52 Ca 0.02 -1.65 0.02 0.00 -0.26 0.00 0.00 58.87 57.00 2c4q n SER 52 Cb 0.27 1.17 0.32 0.00 -0.26 0.00 0.00 64.21 65.72 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 1.82 1.26 0.00 7.33 0.00 -2.04 -3.20 119.26 124.43 2c4q h ALA 53 Ca -0.11 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 2c4q h ALA 53 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2c4q h ALA 53 CO 0.15 0.54 -1.47 0.94 0.00 0.00 0.00 179.25 179.40 2c4q n GLN 54 N -3.98 0.63 -4.30 0.00 -0.06 -1.26 -4.89 117.38 103.52 2c4q n GLN 54 Ca -0.02 0.06 -0.20 0.00 -2.00 0.00 0.00 57.00 54.84 2c4q n GLN 54 Cb 0.46 -1.72 -0.11 0.00 -4.06 0.00 0.00 30.24 24.81 2c4q n GLN 54 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2c4q s ASN 55 N -5.27 2.44 0.16 1.69 0.01 -1.21 -0.90 114.94 111.86 2c4q s ASN 55 Ca -0.04 -0.87 0.09 0.00 -0.71 0.00 0.00 52.86 51.33 2c4q s ASN 55 Cb 0.10 -0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.60 2c4q s ASN 55 CO 0.83 -0.09 -0.14 -0.13 -1.51 0.00 0.00 177.10 176.06 2c4q s ARG 56 N -2.89 1.93 -0.07 -0.60 0.52 -0.12 -2.05 118.95 115.66 2c4q s ARG 56 Ca 0.15 -1.26 -0.03 0.00 -0.52 0.00 0.00 55.73 54.07 2c4q s ARG 56 Cb -0.05 -2.12 0.04 0.00 0.52 0.00 0.00 34.95 33.34 2c4q s ARG 56 CO 0.05 0.45 0.14 0.21 0.02 0.00 0.00 175.30 176.17 2c4q s LYS 57 N -2.58 0.08 -0.15 3.54 2.20 0.18 -0.98 119.74 122.03 2c4q s LYS 57 Ca 0.22 0.38 -0.11 0.00 -0.36 0.00 0.00 55.97 56.11 2c4q s LYS 57 Cb -0.09 -0.19 -0.05 0.00 -1.51 0.00 0.00 37.83 35.99 2c4q s LYS 57 CO 0.13 -0.18 0.20 0.71 -0.36 0.00 0.00 175.35 175.85 2c4q s TYR 58 N 1.28 3.50 -0.20 4.03 1.51 0.15 -1.87 117.35 125.75 2c4q s TYR 58 Ca -0.08 0.51 -0.00 0.00 -1.01 0.00 0.00 57.07 56.49 2c4q s TYR 58 Cb -0.12 -2.17 0.02 0.00 -0.11 0.00 0.00 41.96 39.58 2c4q s TYR 58 CO -0.06 0.41 -0.15 0.99 -1.11 0.00 0.00 175.55 175.64 2c4q s THR 59 N -0.06 2.45 -0.10 -0.71 2.01 -0.42 -1.18 115.64 117.63 2c4q s THR 59 Ca 0.13 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.29 2c4q s THR 59 Cb -0.12 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.30 2c4q s THR 59 CO 0.02 0.46 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.61 2c4q s ILE 60 N 1.33 1.63 0.01 1.82 1.01 -0.15 -1.81 121.20 125.04 2c4q s ILE 60 Ca 0.04 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.02 2c4q s ILE 60 Cb -0.14 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 2c4q s ILE 60 CO -0.10 0.47 -0.21 -0.54 0.00 0.00 0.00 174.94 174.56 2c4q s LYS 61 N 0.73 1.59 -0.01 2.79 1.02 -0.66 -0.35 119.74 124.86 2c4q s LYS 61 Ca -0.12 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.04 2c4q s LYS 61 Cb -0.16 -1.62 -0.01 0.00 -0.52 0.00 0.00 37.83 35.52 2c4q s LYS 61 CO 0.02 0.43 -0.08 0.08 -0.92 0.00 0.00 175.35 174.88 2c4q s VAL 62 N -0.64 0.65 -0.13 3.17 1.01 -0.06 -1.31 120.40 123.09 2c4q s VAL 62 Ca 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2c4q s VAL 62 Cb -0.09 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.76 2c4q s VAL 62 CO 0.00 0.19 -0.18 -1.61 0.00 0.00 0.00 175.10 173.50 2c4q s GLU 63 N -0.16 2.58 -0.10 2.72 2.02 -0.08 -0.48 118.70 125.20 2c4q s GLU 63 Ca 0.03 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.36 2c4q s GLU 63 Cb -0.04 -2.15 -0.00 0.00 0.10 0.00 0.00 34.13 32.04 2c4q s GLU 63 CO -0.00 -0.06 -0.23 0.08 0.02 0.00 0.00 175.26 175.06 2c4q s VAL 64 N 0.96 2.13 0.43 2.63 1.01 -0.62 -1.88 120.40 125.06 2c4q s VAL 64 Ca -0.06 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.71 2c4q s VAL 64 Cb -0.15 -1.81 -0.10 0.00 0.00 0.00 0.00 36.38 34.32 2c4q s VAL 64 CO -0.03 0.56 0.98 -2.16 0.00 0.00 0.00 175.10 174.45 2c4q s PRO 65 N 0.34 4.17 -0.15 2.72 0.04 -1.26 -0.95 135.00 139.91 2c4q s PRO 65 Ca -0.18 1.22 -0.28 0.00 0.04 0.00 0.00 61.00 61.80 2c4q s PRO 65 Cb -0.18 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 2c4q s PRO 65 CO 0.09 -0.09 0.94 0.21 0.04 0.00 0.00 177.00 178.18 2c4q s LYS 66 N -3.02 4.35 -0.18 4.56 2.20 -0.30 -4.90 119.74 122.45 2c4q s LYS 66 Ca 0.62 1.23 0.12 0.00 -0.36 0.00 0.00 55.97 57.57 2c4q s LYS 66 Cb -0.13 -3.57 -0.23 0.00 -1.51 0.00 0.00 37.83 32.39 2c4q s LYS 66 CO 0.17 -0.37 0.12 0.28 -0.36 0.00 0.00 175.35 175.19 2c4q n VAL 67 N 4.74 1.47 -1.77 4.02 0.31 -1.26 -4.69 118.33 121.15 2c4q n VAL 67 Ca 0.07 -0.77 -0.42 0.00 -0.01 0.00 0.00 64.34 63.21 2c4q n VAL 67 Cb 0.48 -0.85 -0.03 0.00 -0.91 0.00 0.00 33.84 32.54 2c4q n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c4q s ALA 68 N -2.52 3.79 -0.82 3.52 0.00 -1.26 -1.56 121.76 122.92 2c4q s ALA 68 Ca -0.15 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2c4q s ALA 68 Cb 0.07 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2c4q s ALA 68 CO 0.77 -1.10 0.00 0.25 0.00 0.00 0.00 175.76 175.69 2c4q n THR 69 N 4.49 0.00 -2.18 0.00 -2.24 -1.26 -4.98 114.28 108.11 2c4q n THR 69 Ca 0.17 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.55 2c4q n THR 69 Cb 0.38 -1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 67.46 2c4q n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2c4q s GLN 70 N -2.35 4.10 -0.41 -0.78 0.74 -0.60 -5.01 119.66 115.35 2c4q s GLN 70 Ca 0.00 2.02 -0.08 0.00 0.05 0.00 0.00 55.36 57.35 2c4q s GLN 70 Cb 0.00 -2.80 0.08 0.00 1.10 0.00 0.00 33.01 31.39 2c4q s GLN 70 CO 0.00 -0.33 0.23 0.99 -0.55 0.00 0.00 175.29 175.63 2c4q s THR 71 N -1.29 3.97 -0.07 -0.34 2.01 -1.26 -5.05 115.64 113.61 2c4q s THR 71 Ca 0.55 -1.50 -0.34 0.00 0.31 0.00 0.00 61.69 60.70 2c4q s THR 71 Cb -0.35 -3.46 -0.12 0.00 0.01 0.00 0.00 72.50 68.58 2c4q s THR 71 CO 0.45 -0.50 1.85 0.52 -0.69 0.00 0.00 174.62 176.25 2c4q n VAL 72 N 4.84 0.53 -0.94 3.82 0.31 -1.26 -1.21 118.33 124.42 2c4q n VAL 72 Ca -0.09 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2c4q n VAL 72 Cb 0.43 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 2c4q n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2c4q n GLY 73 N 4.32 0.83 3.96 2.92 0.00 -1.26 -5.03 105.19 110.92 2c4q n GLY 73 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 2c4q n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c4q s GLY 74 N -1.96 1.77 -0.44 -0.02 0.00 -0.35 -5.05 107.32 101.28 2c4q s GLY 74 Ca 0.00 -1.24 -0.19 0.00 0.00 0.00 0.00 44.72 43.29 2c4q s GLY 74 CO 0.00 -0.87 0.57 0.14 0.00 0.00 0.00 173.10 172.94 2c4q s VAL 75 N -3.00 4.92 -0.28 1.40 1.01 -1.26 -5.00 120.40 118.20 2c4q s VAL 75 Ca 0.60 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 2c4q s VAL 75 Cb -0.10 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.15 2c4q s VAL 75 CO 0.42 -0.57 -0.01 -1.61 0.00 0.00 0.00 175.10 173.32 2c4q s GLU 76 N 2.56 2.78 0.13 2.72 2.02 -1.26 -5.10 118.70 122.54 2c4q s GLU 76 Ca 0.18 -1.03 0.10 0.00 0.02 0.00 0.00 54.97 54.23 2c4q s GLU 76 Cb -0.16 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 2c4q s GLU 76 CO 0.16 -0.48 -0.23 -0.51 0.02 0.00 0.00 175.26 174.22 2c4q s LEU 77 N 1.35 2.33 0.50 1.80 2.01 -1.26 -4.09 118.68 121.32 2c4q s LEU 77 Ca -0.01 -0.74 -0.18 0.00 0.01 0.00 0.00 54.13 53.21 2c4q s LEU 77 Cb -0.18 -1.03 -0.08 0.00 0.01 0.00 0.00 46.19 44.91 2c4q s LEU 77 CO -0.02 0.10 1.00 -2.16 1.01 0.00 0.00 176.35 176.28 2c4q s PRO 78 N -2.10 3.88 0.30 1.29 0.04 -1.26 -5.01 135.00 132.14 2c4q s PRO 78 Ca 0.11 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.27 2c4q s PRO 78 Cb -0.09 -2.12 0.57 0.00 0.04 0.00 0.00 34.50 32.89 2c4q s PRO 78 CO 0.06 -0.34 1.88 0.28 0.04 0.00 0.00 177.00 178.92 2c4q h VAL 79 N 1.15 0.99 0.00 -0.36 2.07 -2.01 -2.11 116.25 115.98 2c4q h VAL 79 Ca -0.48 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2c4q h VAL 79 Cb 1.19 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2c4q h VAL 79 CO 0.60 0.18 -0.01 0.00 0.02 0.00 0.00 177.57 178.36 2c4q h ALA 80 N 1.53 1.10 0.00 1.67 0.00 -1.93 -1.79 119.26 119.84 2c4q h ALA 80 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2c4q h ALA 80 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2c4q h ALA 80 CO -0.20 0.01 -0.37 0.00 0.00 0.00 0.00 179.25 178.69 2c4q n ALA 81 N -2.13 2.68 -0.28 0.00 0.00 -0.79 -4.08 120.51 115.90 2c4q n ALA 81 Ca -0.02 -0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.30 2c4q n ALA 81 Cb 0.12 -1.29 0.13 0.00 0.00 0.00 0.00 19.45 18.40 2c4q n ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2c4q n TRP 82 N -2.15 0.39 -3.83 0.00 7.02 -0.68 -4.92 117.44 113.27 2c4q n TRP 82 Ca 0.04 -0.57 -0.12 0.00 -1.02 0.00 0.00 57.50 55.83 2c4q n TRP 82 Cb 0.43 -0.08 -0.11 0.00 -2.42 0.00 0.00 31.31 29.13 2c4q n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2c4q s ARG 83 N -1.33 0.30 -0.03 -0.99 0.52 -1.20 -1.15 118.95 115.07 2c4q s ARG 83 Ca 0.21 0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.46 2c4q s ARG 83 Cb 0.13 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.70 2c4q s ARG 83 CO 0.10 -0.05 -0.06 -1.12 0.02 0.00 0.00 175.30 174.19 2c4q s SER 84 N -0.41 4.72 -0.10 0.23 0.01 -0.12 -4.92 113.70 113.12 2c4q s SER 84 Ca -0.05 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.19 2c4q s SER 84 Cb -0.03 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 65.03 2c4q s SER 84 CO 0.01 0.32 -0.22 -0.31 0.41 0.00 0.00 173.24 173.45 2c4q s TYR 85 N -0.92 2.42 -0.17 2.43 1.51 -1.26 -1.59 117.35 119.77 2c4q s TYR 85 Ca 0.15 -1.01 -0.02 0.00 -1.01 0.00 0.00 57.07 55.18 2c4q s TYR 85 Cb -0.11 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 2c4q s TYR 85 CO 0.05 -0.42 -0.08 -1.17 -1.11 0.00 0.00 175.55 172.82 2c4q s LEU 86 N 0.43 2.88 -0.21 -1.29 2.96 0.37 -4.99 118.68 118.83 2c4q s LEU 86 Ca -0.17 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 2c4q s LEU 86 Cb -0.17 -1.69 0.05 0.00 0.50 0.00 0.00 46.19 44.88 2c4q s LEU 86 CO 0.07 0.10 -0.06 0.21 -1.32 0.00 0.00 176.35 175.36 2c4q s ASN 87 N 0.74 3.54 -0.09 3.68 3.84 -1.26 -0.88 114.94 124.52 2c4q s ASN 87 Ca -0.04 -1.02 0.02 0.00 0.21 0.00 0.00 52.86 52.04 2c4q s ASN 87 Cb -0.15 -1.12 -0.02 0.00 -0.55 0.00 0.00 41.25 39.41 2c4q s ASN 87 CO 0.02 -0.21 -0.15 -0.04 -2.79 0.00 0.00 177.10 173.93 2c4q s MET 88 N 1.46 2.90 -0.09 0.43 -1.94 0.53 -5.01 119.30 117.58 2c4q s MET 88 Ca -0.04 -0.71 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 2c4q s MET 88 Cb -0.18 -2.47 0.02 0.00 2.01 0.00 0.00 34.83 34.22 2c4q s MET 88 CO -0.07 0.42 -0.07 -1.21 -0.01 0.00 0.00 175.02 174.08 2c4q s GLU 89 N -0.19 1.31 -0.27 2.03 2.02 -1.26 -0.98 118.70 121.35 2c4q s GLU 89 Ca -0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 54.97 54.77 2c4q s GLU 89 Cb -0.13 -1.34 0.03 0.00 0.10 0.00 0.00 34.13 32.79 2c4q s GLU 89 CO 0.03 -0.19 -0.03 -1.17 0.02 0.00 0.00 175.26 173.92 2c4q s LEU 90 N 1.43 3.46 -0.26 1.80 2.96 -0.32 -4.97 118.68 122.78 2c4q s LEU 90 Ca -0.01 -0.99 -0.12 0.00 -0.22 0.00 0.00 54.13 52.79 2c4q s LEU 90 Cb -0.13 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 2c4q s LEU 90 CO -0.04 -0.17 0.22 -0.89 -1.32 0.00 0.00 176.35 174.14 2c4q s THR 91 N 1.31 5.31 -0.12 3.68 2.01 -1.26 -0.67 115.64 125.89 2c4q s THR 91 Ca -0.02 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.26 2c4q s THR 91 Cb -0.18 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.80 2c4q s THR 91 CO -0.03 0.28 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.43 2c4q s ILE 92 N 1.46 1.33 0.51 1.82 1.01 -0.15 -4.98 121.20 122.20 2c4q s ILE 92 Ca 0.09 -0.50 -0.23 0.00 0.00 0.00 0.00 60.65 60.01 2c4q s ILE 92 Cb -0.15 -1.27 -0.06 0.00 0.01 0.00 0.00 42.46 40.99 2c4q s ILE 92 CO 0.08 0.42 1.37 -2.65 0.00 0.00 0.00 174.94 174.16 2c4q n PRO 93 N 4.68 1.88 0.00 2.79 -0.02 -1.26 -0.95 135.00 142.12 2c4q n PRO 93 Ca -0.16 0.68 0.01 0.00 -2.02 0.00 0.00 63.50 62.02 2c4q n PRO 93 Cb 0.50 -2.57 0.06 0.00 -0.02 0.00 0.00 33.50 31.47 2c4q n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2c4q n ILE 94 N -0.72 1.79 1.08 4.25 -5.35 -0.08 -1.95 119.36 118.38 2c4q n ILE 94 Ca 0.08 0.45 0.13 0.00 -0.27 0.00 0.00 62.75 63.14 2c4q n ILE 94 Cb 0.43 -1.40 0.46 0.00 -1.74 0.00 0.00 39.64 37.39 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 -1.50 0.00 -2.08 4.28 3.72 -1.26 -4.88 117.46 115.74 2c4q n PHE 95 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 2c4q n PHE 95 Cb 0.03 -0.33 -0.03 0.00 -0.94 0.00 0.00 39.48 38.21 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 -2.90 3.64 0.80 4.37 0.00 -0.82 -5.02 121.76 121.83 2c4q s ALA 96 Ca 0.16 1.08 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 2c4q s ALA 96 Cb 0.19 -3.63 0.14 0.00 0.00 0.00 0.00 23.12 19.82 2c4q s ALA 96 CO 0.59 -0.93 1.11 0.95 0.00 0.00 0.00 175.76 177.48 2c4q s THR 97 N 2.18 2.12 0.33 0.00 -4.23 -1.26 -4.85 115.64 109.93 2c4q s THR 97 Ca 0.68 -0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.85 2c4q s THR 97 Cb -0.36 -2.77 0.26 0.00 1.34 0.00 0.00 72.50 70.96 2c4q s THR 97 CO 0.30 0.00 1.99 0.78 -0.54 0.00 0.00 174.62 177.15 2c4q h ASN 98 N -0.91 0.81 -0.35 3.99 4.21 -1.98 -0.95 115.58 120.40 2c4q h ASN 98 Ca -0.40 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.06 2c4q h ASN 98 Cb 1.26 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 38.25 2c4q h ASN 98 CO 0.43 0.59 0.14 0.28 -1.29 0.00 0.00 177.43 177.57 2c4q h SER 99 N 0.95 0.48 -0.52 5.81 0.02 -1.99 -0.08 113.55 118.22 2c4q h SER 99 Ca 0.26 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2c4q h SER 99 Cb -0.10 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 2c4q h SER 99 CO -0.05 0.52 0.33 0.44 -1.14 0.00 0.00 176.83 176.93 2c4q h ASP 100 N 0.41 0.55 0.22 3.07 3.32 -1.75 -2.22 116.42 120.02 2c4q h ASP 100 Ca 0.12 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 2c4q h ASP 100 Cb 0.19 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2c4q h ASP 100 CO -0.01 0.39 -0.23 0.00 -1.72 0.00 0.00 179.24 177.67 2c4q h GLU 102 N 0.03 0.87 -0.23 0.00 5.08 -0.43 -2.25 114.58 117.65 2c4q h GLU 102 Ca 0.00 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 2c4q h GLU 102 Cb 0.43 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2c4q h GLU 102 CO 0.03 0.96 -0.31 1.25 -1.00 0.00 0.00 179.01 179.94 2c4q h LEU 103 N 0.78 0.49 -0.83 1.33 6.46 -0.93 -1.91 115.31 120.70 2c4q h LEU 103 Ca 0.12 -0.18 -0.08 0.00 -0.12 0.00 0.00 57.88 57.62 2c4q h LEU 103 Cb 0.66 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 2c4q h LEU 103 CO 0.05 0.78 0.04 0.40 -0.62 0.00 0.00 178.44 179.08 2c4q h ILE 104 N 0.41 1.25 -0.48 4.05 2.04 -1.13 -1.46 117.51 122.19 2c4q h ILE 104 Ca 0.05 -1.02 -0.12 0.00 1.00 0.00 0.00 64.86 64.77 2c4q h ILE 104 Cb 0.75 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2c4q h ILE 104 CO 0.06 0.37 -0.16 0.58 0.00 0.00 0.00 178.15 179.00 2c4q h VAL 105 N 0.85 1.27 -0.50 1.67 2.07 -1.07 -2.36 116.25 118.18 2c4q h VAL 105 Ca 0.17 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 2c4q h VAL 105 Cb 0.45 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2c4q h VAL 105 CO 0.02 0.45 0.06 0.11 0.02 0.00 0.00 177.57 178.23 2c4q h LYS 106 N 0.82 0.79 -0.63 1.57 1.57 -1.00 -1.35 116.57 118.34 2c4q h LYS 106 Ca 0.12 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2c4q h LYS 106 Cb 0.71 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 2c4q h LYS 106 CO 0.05 0.76 0.13 0.00 -0.57 0.00 0.00 179.45 179.82 2c4q h ALA 107 N 1.32 1.04 -0.24 3.86 0.00 -1.01 0.12 119.26 124.34 2c4q h ALA 107 Ca 0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2c4q h ALA 107 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2c4q h ALA 107 CO 0.01 0.62 -0.40 0.52 0.00 0.00 0.00 179.25 180.00 2c4q h MET 108 N 0.96 0.56 -0.33 0.00 2.86 -0.98 -1.41 114.93 116.59 2c4q h MET 108 Ca 0.20 -0.28 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 2c4q h MET 108 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2c4q h MET 108 CO 0.00 0.87 -0.26 1.96 1.06 0.00 0.00 176.91 180.54 2c4q h GLN 109 N 0.46 0.75 -0.66 1.72 4.20 -0.84 -3.02 115.11 117.72 2c4q h GLN 109 Ca 0.04 -0.37 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 2c4q h GLN 109 Cb 0.90 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 2c4q h GLN 109 CO 0.08 0.99 0.19 0.78 -0.67 0.00 0.00 178.83 180.20 2c4q h GLY 110 N 0.52 1.10 0.82 3.46 0.00 -0.66 -1.63 103.07 106.69 2c4q h GLY 110 Ca 0.06 -0.64 0.06 0.00 0.00 0.00 0.00 47.33 46.81 2c4q h GLY 110 CO 0.07 0.60 0.62 -2.00 0.00 0.00 0.00 176.54 175.83 2c4q h LEU 111 N 0.98 0.99 -2.17 3.11 5.85 -1.18 -2.95 115.31 119.94 2c4q h LEU 111 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2c4q h LEU 111 Cb 0.30 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2c4q h LEU 111 CO -0.01 0.64 0.00 0.18 -0.34 0.00 0.00 178.44 178.91 2c4q n LEU 112 N -4.48 3.23 -4.75 2.25 4.77 -1.06 -4.42 117.00 112.54 2c4q n LEU 112 Ca 0.14 -1.33 -0.38 0.00 -0.03 0.00 0.00 56.01 54.41 2c4q n LEU 112 Cb 0.17 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2c4q n LEU 112 CO 0.33 0.65 0.99 -0.75 -1.33 0.00 0.00 177.39 177.27 2c4q s LYS 113 N -1.60 3.07 0.27 3.23 2.20 -0.64 -4.79 119.74 121.48 2c4q s LYS 113 Ca 0.33 2.24 -0.30 0.00 -0.36 0.00 0.00 55.97 57.89 2c4q s LYS 113 Cb 0.21 -2.22 -0.13 0.00 -1.51 0.00 0.00 37.83 34.18 2c4q s LYS 113 CO 0.30 -1.25 1.34 -0.25 -0.36 0.00 0.00 175.35 175.13 2c4q n ASP 114 N -1.12 2.62 0.00 1.43 9.92 -1.26 -2.14 116.55 126.00 2c4q n ASP 114 Ca 0.11 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.53 2c4q n ASP 114 Cb 0.45 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.50 2c4q n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2c4q n GLY 115 N 1.72 2.37 3.85 0.44 0.00 -1.26 -5.04 105.19 107.28 2c4q n GLY 115 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.02 6.29 0.10 1.61 0.01 -0.91 -4.89 114.94 115.13 2c4q s ASN 116 Ca 0.00 1.54 -0.24 0.00 -0.71 0.00 0.00 52.86 53.45 2c4q s ASN 116 Cb 0.00 -2.50 -0.07 0.00 0.41 0.00 0.00 41.25 39.09 2c4q s ASN 116 CO 0.00 -0.82 1.40 -0.65 -1.51 0.00 0.00 177.10 175.52 2c4q h PRO 117 N 0.26 -0.18 0.30 -0.60 0.11 -1.89 -2.15 132.00 127.85 2c4q h PRO 117 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2c4q h PRO 117 Cb 1.19 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2c4q h PRO 117 CO 0.61 -0.12 -0.44 0.82 -0.21 0.00 0.00 178.00 178.65 2c4q h ILE 118 N -0.19 0.12 -0.07 4.15 1.08 -1.95 -0.30 117.51 120.35 2c4q h ILE 118 Ca 0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 2c4q h ILE 118 Cb 0.39 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 34.26 2c4q h ILE 118 CO -0.52 0.00 0.02 1.55 -0.69 0.00 0.00 178.15 178.50 2c4q h PRO 119 N -0.80 0.09 -0.27 2.37 0.13 -1.76 -1.67 132.00 130.09 2c4q h PRO 119 Ca -0.02 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.96 2c4q h PRO 119 Cb 0.75 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2c4q h PRO 119 CO -0.15 0.09 -0.42 0.77 -0.23 0.00 0.00 178.00 178.06 2c4q h SER 120 N 0.09 0.72 0.03 1.44 0.02 -0.85 -1.83 113.55 113.17 2c4q h SER 120 Ca 0.02 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2c4q h SER 120 Cb 0.04 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.38 2c4q h SER 120 CO -0.00 1.05 -0.01 0.00 -1.14 0.00 0.00 176.83 176.72 2c4q h ALA 121 N 0.99 -0.04 -0.37 3.77 0.00 -0.43 -2.63 119.26 120.55 2c4q h ALA 121 Ca 0.04 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2c4q h ALA 121 Cb 0.95 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2c4q h ALA 121 CO 0.09 -0.32 0.16 0.82 0.00 0.00 0.00 179.25 180.00 2c4q h ILE 122 N -0.43 0.94 0.00 0.00 2.04 -1.32 0.64 117.51 119.37 2c4q h ILE 122 Ca -0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2c4q h ILE 122 Cb 0.41 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2c4q h ILE 122 CO 0.01 0.06 -0.07 0.00 0.00 0.00 0.00 178.15 178.15 2c4q h ALA 123 N 1.22 1.14 -0.55 1.87 0.00 -1.36 -2.49 119.26 119.08 2c4q h ALA 123 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2c4q h ALA 123 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2c4q h ALA 123 CO -0.14 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.20 2c4q n ALA 124 N -2.19 3.07 -3.59 0.00 0.00 -0.84 -4.93 120.51 112.03 2c4q n ALA 124 Ca -0.01 -1.70 -0.27 0.00 0.00 0.00 0.00 53.44 51.46 2c4q n ALA 124 Cb 0.23 -0.91 0.03 0.00 0.00 0.00 0.00 19.45 18.79 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 0.76 -5.12 -4.52 0.00 3.02 -0.94 -4.96 115.26 103.50 2c4q n ASN 125 Ca 0.24 -0.57 -0.29 0.00 -0.03 0.00 0.00 54.58 53.93 2c4q n ASN 125 Cb 0.88 -4.10 -0.09 0.00 -0.61 0.00 0.00 39.78 35.86 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 -3.07 3.50 0.00 6.41 0.01 0.16 -5.04 113.70 115.67 2c4q s SER 126 Ca 0.54 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2c4q s SER 126 Cb -0.26 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2c4q s SER 126 CO 0.66 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2c4q n GLY 127 N -1.05 4.98 3.86 3.44 0.00 -1.26 -4.25 105.19 110.91 2c4q n GLY 127 Ca -0.11 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 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 5.46 0.00 -0.61 -1.09 -1.26 -4.81 121.20 120.67 2c4q s ILE 128 Ca 0.00 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 2c4q s ILE 128 Cb 0.00 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 2c4q s ILE 128 CO 0.00 0.60 0.00 0.00 -1.23 0.00 0.00 174.94 174.31