#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4y n SER 2 N 0.00 2.28 -0.70 0.00 2.88 -1.26 -4.85 113.62 111.97 2c4y n SER 2 Ca 0.00 1.04 0.09 0.00 -1.33 0.00 0.00 58.87 58.67 2c4y n SER 2 Cb 0.00 -1.13 0.07 0.00 -0.75 0.00 0.00 64.21 62.41 2c4y n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2c4y n ASN 3 N 5.60 2.46 -4.01 -3.46 0.23 -1.26 -4.77 115.26 110.05 2c4y n ASN 3 Ca 0.28 -1.73 -0.42 0.00 -0.53 0.00 0.00 54.58 52.18 2c4y n ASN 3 Cb 0.12 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 2c4y n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2c4y n PHE 4 N 0.98 3.88 -4.44 -2.53 7.35 -1.26 -4.89 117.46 116.54 2c4y n PHE 4 Ca 0.10 -2.94 -0.21 0.00 -0.76 0.00 0.00 57.45 53.64 2c4y n PHE 4 Cb 0.44 -2.53 -0.11 0.00 0.35 0.00 0.00 39.48 37.64 2c4y n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2c4y s THR 5 N 3.25 1.35 0.62 -2.13 -4.23 -1.26 -4.88 115.64 108.36 2c4y s THR 5 Ca 0.48 -2.04 -0.15 0.00 -1.18 0.00 0.00 61.69 58.81 2c4y s THR 5 Cb 0.10 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 2c4y s THR 5 CO -0.03 -0.12 1.05 0.00 -0.54 0.00 0.00 174.62 174.98 2c4y s GLN 6 N -3.83 3.25 0.23 3.99 -2.07 -1.26 -4.73 119.66 115.23 2c4y s GLN 6 Ca 0.34 1.13 -0.15 0.00 -1.82 0.00 0.00 55.36 54.86 2c4y s GLN 6 Cb 0.07 -2.03 0.01 0.00 -1.09 0.00 0.00 33.01 29.97 2c4y s GLN 6 CO 0.14 -0.86 0.50 -0.59 -1.32 0.00 0.00 175.29 173.16 2c4y s PHE 7 N -2.61 0.18 -0.29 9.60 -0.71 -0.83 -5.00 117.98 118.32 2c4y s PHE 7 Ca 0.62 -0.55 -0.23 0.00 -1.04 0.00 0.00 56.93 55.73 2c4y s PHE 7 Cb -0.15 0.28 -0.00 0.00 -1.21 0.00 0.00 43.02 41.94 2c4y s PHE 7 CO 0.41 -0.98 0.75 0.08 -1.34 0.00 0.00 175.22 174.14 2c4y s VAL 8 N -3.97 4.85 -0.18 -2.49 1.01 -1.26 -1.30 120.40 117.06 2c4y s VAL 8 Ca 0.17 1.20 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 2c4y s VAL 8 Cb -0.01 -4.09 -0.19 0.00 0.00 0.00 0.00 36.38 32.09 2c4y s VAL 8 CO 0.05 -0.16 0.34 0.25 0.00 0.00 0.00 175.10 175.58 2c4y h LEU 9 N 9.29 0.00 -8.21 3.92 5.85 -1.46 -3.44 115.31 121.26 2c4y h LEU 9 Ca -0.25 -0.60 -0.68 0.00 0.84 0.00 0.00 57.88 57.20 2c4y h LEU 9 Cb 1.10 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.84 2c4y h LEU 9 CO 0.85 1.24 -0.67 -0.69 -0.34 0.00 0.00 178.44 178.84 2c4y s VAL 10 N -2.27 3.43 -0.30 1.05 1.01 -1.13 -5.00 120.40 117.20 2c4y s VAL 10 Ca -0.23 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.58 2c4y s VAL 10 Cb 0.03 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2c4y s VAL 10 CO 0.57 0.01 0.30 -0.62 0.00 0.00 0.00 175.10 175.36 2c4y s ASP 11 N 1.38 6.15 -0.19 3.32 2.15 -1.26 -0.96 116.67 127.25 2c4y s ASP 11 Ca -0.01 0.01 0.14 0.00 0.43 0.00 0.00 52.55 53.12 2c4y s ASP 11 Cb -0.18 -2.17 0.40 0.00 -0.30 0.00 0.00 42.92 40.66 2c4y s ASP 11 CO 0.00 -0.18 1.26 0.59 -0.17 0.00 0.00 175.17 176.66 2c4y n ASN 12 N 5.24 2.30 -2.45 -0.34 3.02 -1.26 -5.01 115.26 116.75 2c4y n ASN 12 Ca -0.11 -3.50 -0.00 0.00 -0.03 0.00 0.00 54.58 50.94 2c4y n ASN 12 Cb 0.51 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2c4y n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c4y n GLY 13 N -1.17 -3.86 4.90 7.41 0.00 -1.26 -4.08 105.19 107.13 2c4y n GLY 13 Ca 0.20 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2c4y n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c4y n GLY 14 N 0.51 0.00 3.65 -0.02 0.00 -1.26 -4.73 105.19 103.34 2c4y n GLY 14 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2c4y n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c4y s THR 15 N 0.00 4.93 0.00 2.61 2.01 -1.26 -3.80 115.64 120.13 2c4y s THR 15 Ca 0.00 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.41 2c4y s THR 15 Cb 0.00 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.47 2c4y s THR 15 CO 0.00 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 2c4y n GLY 16 N 3.73 0.56 3.77 4.40 0.00 -1.26 -4.54 105.19 111.85 2c4y n GLY 16 Ca 0.02 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 2c4y n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c4y s ASP 17 N -2.13 6.45 -0.31 1.61 1.11 -1.25 -4.66 116.67 117.49 2c4y s ASP 17 Ca 0.00 2.59 -0.09 0.00 0.18 0.00 0.00 52.55 55.24 2c4y s ASP 17 Cb 0.00 -2.64 -0.00 0.00 1.07 0.00 0.00 42.92 41.35 2c4y s ASP 17 CO 0.00 -0.75 0.13 -0.69 1.18 0.00 0.00 175.17 175.04 2c4y s VAL 18 N -1.26 4.41 -0.05 -1.27 1.01 -0.14 -5.00 120.40 118.09 2c4y s VAL 18 Ca 0.55 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2c4y s VAL 18 Cb -0.37 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2c4y s VAL 18 CO 0.47 0.07 0.16 -0.89 0.00 0.00 0.00 175.10 174.92 2c4y s THR 19 N 1.58 5.44 -0.08 3.92 2.01 -1.26 -1.10 115.64 126.15 2c4y s THR 19 Ca 0.04 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.06 2c4y s THR 19 Cb -0.17 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.87 2c4y s THR 19 CO 0.05 0.45 -0.19 0.54 -0.69 0.00 0.00 174.62 174.78 2c4y s VAL 20 N -1.20 1.63 0.15 3.82 0.11 -0.42 -4.40 120.40 120.08 2c4y s VAL 20 Ca 0.22 -0.78 0.08 0.00 -2.93 0.00 0.00 61.98 58.57 2c4y s VAL 20 Cb -0.12 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 2c4y s VAL 20 CO 0.13 0.46 -0.19 0.00 -3.33 0.00 0.00 175.10 172.17 2c4y s ALA 21 N 0.36 1.96 0.02 1.54 0.00 -0.76 -1.97 121.76 122.91 2c4y s ALA 21 Ca -0.14 -1.42 -0.37 0.00 0.00 0.00 0.00 51.96 50.03 2c4y s ALA 21 Cb -0.16 -0.21 -0.17 0.00 0.00 0.00 0.00 23.12 22.59 2c4y s ALA 21 CO 0.06 0.28 1.41 -2.30 0.00 0.00 0.00 175.76 175.20 2c4y n PRO 22 N 0.54 1.15 0.00 0.00 -0.02 -1.26 -1.49 135.00 133.92 2c4y n PRO 22 Ca -0.15 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2c4y n PRO 22 Cb 0.56 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2c4y n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2c4y n SER 23 N 3.01 0.03 -3.59 2.55 3.41 0.62 -4.85 113.62 114.81 2c4y n SER 23 Ca 0.20 -0.25 -0.10 0.00 -0.26 0.00 0.00 58.87 58.46 2c4y n SER 23 Cb 0.18 0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 2c4y n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2c4y s ASN 24 N -0.22 -0.35 0.00 4.04 3.84 -1.21 -4.98 114.94 116.06 2c4y s ASN 24 Ca 0.00 0.42 0.09 0.00 0.21 0.00 0.00 52.86 53.58 2c4y s ASN 24 Cb 0.00 0.33 0.15 0.00 -0.55 0.00 0.00 41.25 41.18 2c4y s ASN 24 CO 0.00 -0.30 1.01 0.33 -2.79 0.00 0.00 177.10 175.35 2c4y n PHE 25 N 0.85 0.00 -2.11 0.43 7.35 -1.26 -1.21 117.46 121.51 2c4y n PHE 25 Ca -0.10 -0.20 -0.42 0.00 -0.76 0.00 0.00 57.45 55.97 2c4y n PHE 25 Cb 0.58 -0.03 -0.03 0.00 0.35 0.00 0.00 39.48 40.35 2c4y n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2c4y s ALA 26 N 0.00 3.63 -1.08 3.13 0.00 -1.25 -3.17 121.76 123.01 2c4y s ALA 26 Ca 0.12 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2c4y s ALA 26 Cb 0.13 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2c4y s ALA 26 CO -0.06 -0.84 0.00 0.09 0.00 0.00 0.00 175.76 174.95 2c4y n ASN 27 N 4.79 -3.98 0.00 0.00 3.02 -1.26 -2.87 115.26 114.97 2c4y n ASN 27 Ca 0.13 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2c4y n ASN 27 Cb 0.42 -3.15 0.00 0.00 -0.61 0.00 0.00 39.78 36.44 2c4y n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c4y n GLY 28 N -1.04 2.47 3.61 7.41 0.00 -1.19 -4.96 105.19 111.49 2c4y n GLY 28 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2c4y n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c4y s VAL 29 N -2.50 4.56 0.23 1.61 1.01 -1.14 -4.76 120.40 119.42 2c4y s VAL 29 Ca 0.00 1.29 -0.25 0.00 0.00 0.00 0.00 61.98 63.02 2c4y s VAL 29 Cb 0.00 -4.35 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 2c4y s VAL 29 CO 0.00 -0.54 0.84 0.00 0.00 0.00 0.00 175.10 175.40 2c4y s ALA 30 N 3.53 3.36 0.01 5.51 0.00 -0.83 -3.78 121.76 129.56 2c4y s ALA 30 Ca 0.40 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.79 2c4y s ALA 30 Cb -0.12 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 2c4y s ALA 30 CO 0.18 0.26 -0.09 -2.00 0.00 0.00 0.00 175.76 174.11 2c4y s GLU 31 N -1.55 0.66 -0.02 0.00 2.12 -0.35 -1.87 118.70 117.70 2c4y s GLU 31 Ca 0.42 -0.42 0.03 0.00 0.36 0.00 0.00 54.97 55.36 2c4y s GLU 31 Cb -0.21 -0.61 -0.00 0.00 0.26 0.00 0.00 34.13 33.56 2c4y s GLU 31 CO 0.26 0.16 -0.10 -1.58 -0.54 0.00 0.00 175.26 173.46 2c4y s TRP 32 N -0.45 0.91 0.05 5.30 0.51 0.09 -0.28 118.94 125.08 2c4y s TRP 32 Ca 0.01 -0.20 -0.01 0.00 -2.12 0.00 0.00 56.10 53.79 2c4y s TRP 32 Cb -0.05 -0.62 -0.04 0.00 -0.81 0.00 0.00 33.47 31.96 2c4y s TRP 32 CO 0.00 -0.05 -0.03 0.96 -0.51 0.00 0.00 176.95 177.32 2c4y s ILE 33 N -0.05 0.23 0.74 2.03 -4.36 -0.55 -0.89 121.20 118.35 2c4y s ILE 33 Ca 0.01 -1.62 -0.08 0.00 -0.26 0.00 0.00 60.65 58.69 2c4y s ILE 33 Cb -0.06 -1.26 0.07 0.00 1.25 0.00 0.00 42.46 42.46 2c4y s ILE 33 CO -0.00 -0.88 1.07 -0.94 0.24 0.00 0.00 174.94 174.43 2c4y s SER 34 N -2.61 4.70 -1.35 4.36 1.04 -0.47 -1.82 113.70 117.55 2c4y s SER 34 Ca 0.02 0.56 -0.16 0.00 0.48 0.00 0.00 55.95 56.86 2c4y s SER 34 Cb 0.04 -1.16 0.07 0.00 0.10 0.00 0.00 66.02 65.08 2c4y s SER 34 CO -0.08 -1.71 1.90 -0.24 0.98 0.00 0.00 173.24 174.09 2c4y n SER 35 N -3.06 4.58 -2.28 7.02 2.88 -1.26 -4.74 113.62 116.76 2c4y n SER 35 Ca 0.08 -2.91 -0.10 0.00 -1.33 0.00 0.00 58.87 54.61 2c4y n SER 35 Cb 0.61 -1.69 -0.03 0.00 -0.75 0.00 0.00 64.21 62.35 2c4y n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2c4y n ASN 36 N 7.09 -0.71 -4.82 -3.46 3.02 -1.26 -5.07 115.26 110.05 2c4y n ASN 36 Ca 0.49 -2.23 -0.32 0.00 -0.03 0.00 0.00 54.58 52.48 2c4y n ASN 36 Cb 0.43 1.39 -0.01 0.00 -0.61 0.00 0.00 39.78 40.98 2c4y n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2c4y s SER 37 N -2.37 6.15 0.33 6.41 1.04 -1.26 -4.80 113.70 119.19 2c4y s SER 37 Ca 0.20 1.69 0.25 0.00 0.48 0.00 0.00 55.95 58.57 2c4y s SER 37 Cb 0.00 -2.52 1.15 0.00 0.10 0.00 0.00 66.02 64.75 2c4y s SER 37 CO 0.14 -0.91 1.75 0.03 0.98 0.00 0.00 173.24 175.23 2c4y h ARG 38 N 0.58 0.00 0.00 4.02 3.08 -1.96 0.04 114.38 120.14 2c4y h ARG 38 Ca -0.47 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.49 2c4y h ARG 38 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 2c4y h ARG 38 CO 0.59 0.00 -0.49 0.66 -1.07 0.00 0.00 179.97 179.66 2c4y h SER 39 N 0.00 0.00 -0.09 7.04 4.64 -1.98 -3.31 113.55 119.85 2c4y h SER 39 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c4y h SER 39 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2c4y h SER 39 CO 0.00 0.42 0.00 0.00 -0.87 0.00 0.00 176.83 176.38 2c4y n GLN 40 N -3.18 1.53 -1.74 4.77 6.02 -0.62 -5.00 117.38 119.18 2c4y n GLN 40 Ca 0.02 -1.34 -0.30 0.00 -0.01 0.00 0.00 57.00 55.37 2c4y n GLN 40 Cb 0.71 -1.11 0.07 0.00 1.02 0.00 0.00 30.24 30.93 2c4y n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c4y s ALA 41 N -0.75 2.57 -0.24 -1.58 0.00 -0.10 -4.69 121.76 116.98 2c4y s ALA 41 Ca 0.08 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 2c4y s ALA 41 Cb 0.05 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 2c4y s ALA 41 CO 0.07 -1.47 0.22 0.71 0.00 0.00 0.00 175.76 175.29 2c4y s TYR 42 N -3.29 3.31 0.04 0.00 1.51 -1.26 -4.33 117.35 113.32 2c4y s TYR 42 Ca 0.60 0.29 0.08 0.00 -1.01 0.00 0.00 57.07 57.03 2c4y s TYR 42 Cb -0.13 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.35 2c4y s TYR 42 CO 0.53 0.00 -0.25 0.21 -1.11 0.00 0.00 175.55 174.93 2c4y s LYS 43 N 1.26 1.71 -0.02 -0.62 2.20 -0.94 -1.37 119.74 121.97 2c4y s LYS 43 Ca 0.10 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 2c4y s LYS 43 Cb -0.14 -1.84 0.03 0.00 -1.51 0.00 0.00 37.83 34.37 2c4y s LYS 43 CO 0.06 0.48 0.02 0.08 -0.36 0.00 0.00 175.35 175.64 2c4y s VAL 44 N -0.77 -0.01 0.09 4.02 1.01 -0.07 -1.13 120.40 123.53 2c4y s VAL 44 Ca 0.10 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.33 2c4y s VAL 44 Cb -0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 2c4y s VAL 44 CO 0.02 0.10 -0.13 0.42 0.00 0.00 0.00 175.10 175.51 2c4y s THR 45 N 1.08 1.07 -0.19 3.92 -4.23 -0.29 -0.73 115.64 116.27 2c4y s THR 45 Ca -0.09 -1.45 -0.19 0.00 -1.18 0.00 0.00 61.69 58.78 2c4y s THR 45 Cb -0.13 -1.20 0.05 0.00 1.34 0.00 0.00 72.50 72.57 2c4y s THR 45 CO -0.03 -0.36 0.53 0.00 -0.54 0.00 0.00 174.62 174.22 2c4y s SER 47 N 0.18 -0.25 0.06 0.00 1.04 -0.86 -1.97 113.70 111.90 2c4y s SER 47 Ca -0.01 -0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.24 2c4y s SER 47 Cb -0.04 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 2c4y s SER 47 CO 0.01 -0.80 -0.14 -0.69 0.98 0.00 0.00 173.24 172.59 2c4y s VAL 48 N -3.45 1.13 0.15 5.02 1.01 -1.26 -1.18 120.40 121.82 2c4y s VAL 48 Ca 0.01 -1.22 -0.19 0.00 0.00 0.00 0.00 61.98 60.57 2c4y s VAL 48 Cb 0.01 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.37 2c4y s VAL 48 CO -0.09 -0.15 0.51 0.00 0.00 0.00 0.00 175.10 175.37 2c4y s ARG 49 N -1.57 1.22 -0.88 2.72 1.70 -0.94 -4.98 118.95 116.21 2c4y s ARG 49 Ca -0.01 -0.62 -0.21 0.00 -0.47 0.00 0.00 55.73 54.42 2c4y s ARG 49 Cb -0.09 0.53 0.09 0.00 -0.57 0.00 0.00 34.95 34.91 2c4y s ARG 49 CO 0.02 -0.51 1.18 -1.14 -1.08 0.00 0.00 175.30 173.77 2c4y s GLN 50 N -3.79 3.47 0.34 3.89 2.00 -1.26 0.28 119.66 124.59 2c4y s GLN 50 Ca 0.03 -1.31 0.04 0.00 -2.00 0.00 0.00 55.36 52.13 2c4y s GLN 50 Cb 0.00 -4.84 0.67 0.00 0.80 0.00 0.00 33.01 29.64 2c4y s GLN 50 CO -0.11 -1.92 1.94 0.66 -0.50 0.00 0.00 175.29 175.36 2c4y h SER 51 N 9.31 0.75 -2.15 6.67 4.64 -1.65 -3.46 113.55 127.66 2c4y h SER 51 Ca 0.05 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 2c4y h SER 51 Cb 1.03 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 2c4y h SER 51 CO 1.22 0.48 0.04 -1.54 -0.87 0.00 0.00 176.83 176.15 2c4y n SER 52 N -4.48 -0.78 0.00 4.97 3.41 -1.05 -4.99 113.62 110.70 2c4y n SER 52 Ca 0.12 -1.71 -0.01 0.00 -0.26 0.00 0.00 58.87 57.00 2c4y n SER 52 Cb 0.22 1.35 0.27 0.00 -0.26 0.00 0.00 64.21 65.79 2c4y n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c4y h ALA 53 N 1.86 1.29 0.00 7.33 0.00 -2.04 -3.12 119.26 124.59 2c4y h ALA 53 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2c4y h ALA 53 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2c4y h ALA 53 CO 0.17 0.47 -1.26 0.94 0.00 0.00 0.00 179.25 179.57 2c4y n GLN 54 N -4.23 0.48 -4.24 0.00 -0.06 -1.26 -4.90 117.38 103.17 2c4y n GLN 54 Ca 0.01 -0.01 -0.16 0.00 -2.00 0.00 0.00 57.00 54.84 2c4y n GLN 54 Cb 0.29 -1.65 -0.11 0.00 -4.06 0.00 0.00 30.24 24.71 2c4y n GLN 54 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2c4y s ASN 55 N -4.55 1.85 0.17 1.69 0.01 -1.18 -1.18 114.94 111.75 2c4y s ASN 55 Ca -0.01 -0.89 0.10 0.00 -0.71 0.00 0.00 52.86 51.35 2c4y s ASN 55 Cb 0.13 -0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.71 2c4y s ASN 55 CO 0.82 -0.23 -0.15 -0.13 -1.51 0.00 0.00 177.10 175.90 2c4y s ARG 56 N -3.12 1.85 -0.08 -0.60 0.52 -0.09 -1.84 118.95 115.59 2c4y s ARG 56 Ca 0.12 -1.31 -0.03 0.00 -0.52 0.00 0.00 55.73 53.99 2c4y s ARG 56 Cb -0.02 -2.07 0.04 0.00 0.52 0.00 0.00 34.95 33.43 2c4y s ARG 56 CO 0.02 0.44 0.16 0.21 0.02 0.00 0.00 175.30 176.15 2c4y s LYS 57 N -2.59 0.06 -0.11 3.54 2.20 0.14 -1.05 119.74 121.93 2c4y s LYS 57 Ca 0.22 0.49 -0.17 0.00 -0.36 0.00 0.00 55.97 56.15 2c4y s LYS 57 Cb -0.09 -0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 35.96 2c4y s LYS 57 CO 0.12 -0.25 0.43 0.71 -0.36 0.00 0.00 175.35 176.01 2c4y s TYR 58 N 1.82 3.54 -0.24 4.03 1.51 0.23 -2.22 117.35 126.02 2c4y s TYR 58 Ca -0.02 0.85 -0.00 0.00 -1.01 0.00 0.00 57.07 56.89 2c4y s TYR 58 Cb -0.12 -2.47 0.03 0.00 -0.11 0.00 0.00 41.96 39.29 2c4y s TYR 58 CO -0.06 0.26 -0.09 0.99 -1.11 0.00 0.00 175.55 175.53 2c4y s THR 59 N 0.32 2.61 -0.12 -0.71 2.01 -0.32 -0.93 115.64 118.50 2c4y s THR 59 Ca 0.24 -1.12 0.03 0.00 0.31 0.00 0.00 61.69 61.15 2c4y s THR 59 Cb -0.15 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.04 2c4y s THR 59 CO 0.10 0.22 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.40 2c4y s ILE 60 N 1.28 2.20 -0.03 1.82 1.01 0.17 -2.03 121.20 125.62 2c4y s ILE 60 Ca -0.01 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.74 2c4y s ILE 60 Cb -0.17 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 2c4y s ILE 60 CO -0.06 0.55 -0.19 -0.54 0.00 0.00 0.00 174.94 174.70 2c4y s LYS 61 N 0.51 1.73 -0.00 2.79 1.02 -0.59 -0.22 119.74 124.98 2c4y s LYS 61 Ca -0.14 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.20 2c4y s LYS 61 Cb -0.17 -1.59 -0.01 0.00 -0.52 0.00 0.00 37.83 35.54 2c4y s LYS 61 CO 0.05 0.36 -0.11 0.08 -0.92 0.00 0.00 175.35 174.80 2c4y s VAL 62 N -0.27 0.90 -0.12 3.17 1.01 -0.48 -1.14 120.40 123.46 2c4y s VAL 62 Ca 0.03 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2c4y s VAL 62 Cb -0.09 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.54 2c4y s VAL 62 CO 0.01 0.21 -0.17 -1.61 0.00 0.00 0.00 175.10 173.53 2c4y s GLU 63 N -0.38 2.50 -0.12 2.72 2.02 -0.29 -0.21 118.70 124.96 2c4y s GLU 63 Ca 0.04 -0.66 0.03 0.00 0.02 0.00 0.00 54.97 54.39 2c4y s GLU 63 Cb -0.05 -2.10 -0.00 0.00 0.10 0.00 0.00 34.13 32.08 2c4y s GLU 63 CO -0.00 -0.07 -0.21 0.08 0.02 0.00 0.00 175.26 175.08 2c4y s VAL 64 N 0.98 2.28 0.38 2.63 1.01 -0.51 -2.21 120.40 124.96 2c4y s VAL 64 Ca -0.05 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.76 2c4y s VAL 64 Cb -0.15 -1.90 -0.10 0.00 0.00 0.00 0.00 36.38 34.22 2c4y s VAL 64 CO -0.03 0.55 0.95 -2.16 0.00 0.00 0.00 175.10 174.41 2c4y s PRO 65 N 0.46 4.39 -0.17 2.72 0.04 -1.26 -0.96 135.00 140.23 2c4y s PRO 65 Ca -0.14 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 61.84 2c4y s PRO 65 Cb -0.17 -2.48 -0.00 0.00 0.04 0.00 0.00 34.50 31.88 2c4y s PRO 65 CO 0.06 0.11 1.03 0.21 0.04 0.00 0.00 177.00 178.45 2c4y s LYS 66 N -2.63 4.34 -0.16 4.56 2.20 0.11 -4.91 119.74 123.25 2c4y s LYS 66 Ca 0.56 1.39 0.10 0.00 -0.36 0.00 0.00 55.97 57.66 2c4y s LYS 66 Cb -0.14 -3.59 -0.23 0.00 -1.51 0.00 0.00 37.83 32.36 2c4y s LYS 66 CO 0.19 -0.47 0.22 0.28 -0.36 0.00 0.00 175.35 175.20 2c4y n VAL 67 N 4.93 1.52 -1.69 4.02 0.31 -1.26 -4.69 118.33 121.47 2c4y n VAL 67 Ca 0.10 -0.76 -0.43 0.00 -0.01 0.00 0.00 64.34 63.25 2c4y n VAL 67 Cb 0.47 -0.97 -0.03 0.00 -0.91 0.00 0.00 33.84 32.40 2c4y n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c4y n ALA 68 N -2.82 2.17 -1.23 3.52 0.00 -1.26 -1.30 120.51 119.59 2c4y n ALA 68 Ca -0.31 0.33 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 2c4y n ALA 68 Cb 1.08 -2.57 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 2c4y n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2c4y n THR 69 N 4.56 0.00 -2.29 0.00 -2.24 -1.26 -4.99 114.28 108.07 2c4y n THR 69 Ca 0.18 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.58 2c4y n THR 69 Cb 0.36 -1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 67.46 2c4y n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2c4y s GLN 70 N -2.36 4.04 -0.39 -0.78 0.74 -0.42 -5.01 119.66 115.47 2c4y s GLN 70 Ca 0.00 1.84 -0.07 0.00 0.05 0.00 0.00 55.36 57.19 2c4y s GLN 70 Cb 0.00 -2.66 0.08 0.00 1.10 0.00 0.00 33.01 31.53 2c4y s GLN 70 CO 0.00 -0.34 0.20 0.99 -0.55 0.00 0.00 175.29 175.60 2c4y s THR 71 N -1.42 3.82 -0.07 -0.34 2.01 -1.26 -5.05 115.64 113.33 2c4y s THR 71 Ca 0.57 -1.52 -0.35 0.00 0.31 0.00 0.00 61.69 60.70 2c4y s THR 71 Cb -0.31 -3.37 -0.13 0.00 0.01 0.00 0.00 72.50 68.71 2c4y s THR 71 CO 0.39 -0.47 1.81 0.52 -0.69 0.00 0.00 174.62 176.18 2c4y n VAL 72 N 4.80 0.46 -0.98 3.82 0.31 -1.26 -0.82 118.33 124.65 2c4y n VAL 72 Ca -0.09 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2c4y n VAL 72 Cb 0.43 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 2c4y n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2c4y n GLY 73 N 4.20 0.95 3.94 2.92 0.00 -1.26 -5.03 105.19 110.92 2c4y n GLY 73 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 2c4y n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c4y s GLY 74 N -1.98 1.71 -0.41 -0.02 0.00 -0.00 -5.04 107.32 101.57 2c4y s GLY 74 Ca 0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 44.72 43.48 2c4y s GLY 74 CO 0.00 -0.57 0.35 0.14 0.00 0.00 0.00 173.10 173.01 2c4y s VAL 75 N -3.38 5.20 -0.28 1.40 1.01 -1.26 -5.00 120.40 118.08 2c4y s VAL 75 Ca 0.64 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 2c4y s VAL 75 Cb -0.09 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.36 2c4y s VAL 75 CO 0.47 -0.35 0.00 -1.61 0.00 0.00 0.00 175.10 173.61 2c4y s GLU 76 N 1.84 2.70 0.13 2.72 2.02 -1.26 -5.10 118.70 121.75 2c4y s GLU 76 Ca 0.07 -1.09 0.11 0.00 0.02 0.00 0.00 54.97 54.08 2c4y s GLU 76 Cb -0.18 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 2c4y s GLU 76 CO 0.11 -0.52 -0.26 -0.51 0.02 0.00 0.00 175.26 174.10 2c4y s LEU 77 N 1.33 2.34 0.44 1.80 2.01 -1.26 -4.08 118.68 121.26 2c4y s LEU 77 Ca -0.02 -0.74 -0.20 0.00 0.01 0.00 0.00 54.13 53.18 2c4y s LEU 77 Cb -0.18 -1.24 -0.10 0.00 0.01 0.00 0.00 46.19 44.68 2c4y s LEU 77 CO -0.01 0.18 0.95 -2.16 1.01 0.00 0.00 176.35 176.31 2c4y s PRO 78 N -2.08 4.18 0.30 1.29 0.04 -1.26 -5.01 135.00 132.45 2c4y s PRO 78 Ca 0.14 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.30 2c4y s PRO 78 Cb -0.10 -2.18 0.64 0.00 0.04 0.00 0.00 34.50 32.90 2c4y s PRO 78 CO 0.06 -0.06 1.82 0.28 0.04 0.00 0.00 177.00 179.15 2c4y h VAL 79 N 1.76 0.85 0.00 -0.36 2.07 -2.01 -1.74 116.25 116.81 2c4y h VAL 79 Ca -0.49 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2c4y h VAL 79 Cb 1.18 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2c4y h VAL 79 CO 0.61 0.16 0.00 0.00 0.02 0.00 0.00 177.57 178.37 2c4y n ALA 80 N -2.35 1.38 0.27 1.67 0.00 -1.26 -1.99 120.51 118.22 2c4y n ALA 80 Ca 0.20 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.90 2c4y n ALA 80 Cb 0.43 -1.36 0.08 0.00 0.00 0.00 0.00 19.45 18.60 2c4y n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c4y h ALA 81 N 2.14 0.60 -0.32 0.00 0.00 -1.71 -3.37 119.26 116.60 2c4y h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c4y h ALA 81 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2c4y h ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.16 2c4y n TRP 82 N -2.56 0.43 -3.91 0.00 7.02 -0.84 -4.92 117.44 112.66 2c4y n TRP 82 Ca 0.02 -0.42 -0.11 0.00 -1.02 0.00 0.00 57.50 55.97 2c4y n TRP 82 Cb 0.51 -0.02 -0.12 0.00 -2.42 0.00 0.00 31.31 29.26 2c4y n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2c4y s ARG 83 N -1.00 0.26 -0.00 -0.99 0.52 -1.19 -0.72 118.95 115.82 2c4y s ARG 83 Ca 0.24 -0.31 0.04 0.00 -0.52 0.00 0.00 55.73 55.17 2c4y s ARG 83 Cb 0.13 0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.67 2c4y s ARG 83 CO 0.17 -0.05 -0.11 -1.12 0.02 0.00 0.00 175.30 174.21 2c4y s SER 84 N -0.90 4.32 -0.12 0.23 0.01 -0.13 -4.91 113.70 112.21 2c4y s SER 84 Ca -0.10 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 56.98 2c4y s SER 84 Cb -0.06 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.24 2c4y s SER 84 CO -0.00 0.30 -0.21 -0.31 0.41 0.00 0.00 173.24 173.43 2c4y s TYR 85 N -0.91 2.43 -0.14 2.43 1.51 -1.26 -1.43 117.35 119.98 2c4y s TYR 85 Ca 0.15 -1.13 -0.04 0.00 -1.01 0.00 0.00 57.07 55.04 2c4y s TYR 85 Cb -0.11 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 2c4y s TYR 85 CO 0.05 -0.51 -0.01 -1.17 -1.11 0.00 0.00 175.55 172.80 2c4y s LEU 86 N 0.69 3.43 -0.24 -1.29 2.96 0.71 -4.99 118.68 119.96 2c4y s LEU 86 Ca -0.11 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2c4y s LEU 86 Cb -0.16 -1.82 0.07 0.00 0.50 0.00 0.00 46.19 44.78 2c4y s LEU 86 CO 0.02 0.23 0.04 0.21 -1.32 0.00 0.00 176.35 175.52 2c4y s ASN 87 N 0.01 3.50 -0.11 3.68 3.84 -1.26 -1.39 114.94 123.21 2c4y s ASN 87 Ca 0.02 -1.18 -0.00 0.00 0.21 0.00 0.00 52.86 51.91 2c4y s ASN 87 Cb -0.13 -0.82 -0.02 0.00 -0.55 0.00 0.00 41.25 39.72 2c4y s ASN 87 CO 0.02 -0.33 -0.09 -0.04 -2.79 0.00 0.00 177.10 173.87 2c4y s MET 88 N 1.67 3.20 -0.10 0.43 -1.94 0.69 -5.01 119.30 118.24 2c4y s MET 88 Ca 0.01 -0.61 0.01 0.00 -1.71 0.00 0.00 55.69 53.39 2c4y s MET 88 Cb -0.18 -2.66 0.02 0.00 2.01 0.00 0.00 34.83 34.02 2c4y s MET 88 CO -0.13 0.38 -0.11 -1.21 -0.01 0.00 0.00 175.02 173.94 2c4y s GLU 89 N -0.05 1.77 -0.23 2.03 2.02 -1.26 -0.66 118.70 122.32 2c4y s GLU 89 Ca -0.01 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.59 2c4y s GLU 89 Cb -0.14 -1.61 0.03 0.00 0.10 0.00 0.00 34.13 32.52 2c4y s GLU 89 CO 0.03 -0.12 -0.12 -1.17 0.02 0.00 0.00 175.26 173.90 2c4y s LEU 90 N 1.17 2.89 -0.25 1.80 2.96 -0.10 -4.97 118.68 122.17 2c4y s LEU 90 Ca -0.04 -0.92 -0.10 0.00 -0.22 0.00 0.00 54.13 52.84 2c4y s LEU 90 Cb -0.14 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 2c4y s LEU 90 CO -0.03 -0.10 0.15 -0.89 -1.32 0.00 0.00 176.35 174.17 2c4y s THR 91 N 1.26 5.21 -0.11 3.68 2.01 -1.26 -0.60 115.64 125.82 2c4y s THR 91 Ca -0.00 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.13 2c4y s THR 91 Cb -0.16 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 68.93 2c4y s THR 91 CO -0.07 0.32 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.44 2c4y s ILE 92 N 1.28 1.24 0.49 1.82 1.01 -0.22 -4.98 121.20 121.84 2c4y s ILE 92 Ca 0.07 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 60.03 2c4y s ILE 92 Cb -0.14 -1.20 -0.07 0.00 0.01 0.00 0.00 42.46 41.06 2c4y s ILE 92 CO 0.06 0.40 1.36 -2.84 0.00 0.00 0.00 174.94 173.92 2c4y s PRO 93 N 1.39 3.49 0.16 2.79 0.02 -1.26 -0.91 135.00 140.68 2c4y s PRO 93 Ca 0.00 2.26 0.11 0.00 0.02 0.00 0.00 61.00 63.39 2c4y s PRO 93 Cb -0.13 -2.48 0.59 0.00 0.02 0.00 0.00 34.50 32.50 2c4y s PRO 93 CO -0.06 -0.91 1.33 0.44 -0.33 0.00 0.00 177.00 177.46 2c4y n ILE 94 N -0.53 1.49 0.98 2.83 -5.35 -0.32 -1.70 119.36 116.75 2c4y n ILE 94 Ca 0.07 0.62 0.13 0.00 -0.27 0.00 0.00 62.75 63.31 2c4y n ILE 94 Cb 0.44 -1.62 0.47 0.00 -1.74 0.00 0.00 39.64 37.19 2c4y n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2c4y n PHE 95 N -1.88 0.04 -2.00 4.28 3.72 -1.26 -4.87 117.46 115.48 2c4y n PHE 95 Ca -0.01 0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2c4y n PHE 95 Cb 0.03 -0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 38.11 2c4y n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2c4y s ALA 96 N -3.01 3.72 0.67 4.37 0.00 -0.69 -5.02 121.76 121.80 2c4y s ALA 96 Ca 0.13 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.38 2c4y s ALA 96 Cb 0.18 -3.60 0.10 0.00 0.00 0.00 0.00 23.12 19.80 2c4y s ALA 96 CO 0.60 -0.75 0.92 0.95 0.00 0.00 0.00 175.76 177.48 2c4y s THR 97 N 1.23 2.27 0.39 0.00 -4.23 -1.26 -4.87 115.64 109.17 2c4y s THR 97 Ca 0.69 -0.63 0.05 0.00 -1.18 0.00 0.00 61.69 60.62 2c4y s THR 97 Cb -0.41 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.04 2c4y s THR 97 CO 0.31 0.00 2.03 0.78 -0.54 0.00 0.00 174.62 177.20 2c4y h ASN 98 N -0.33 0.55 -0.15 3.99 2.35 -1.98 0.11 115.58 120.12 2c4y h ASN 98 Ca -0.37 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 2c4y h ASN 98 Cb 1.28 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 2c4y h ASN 98 CO 0.44 0.42 0.05 0.28 -1.65 0.00 0.00 177.43 176.96 2c4y h SER 99 N 0.65 0.23 -0.76 5.81 0.02 -1.99 0.56 113.55 118.06 2c4y h SER 99 Ca 0.17 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2c4y h SER 99 Cb -0.04 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 2c4y h SER 99 CO -0.03 0.38 0.45 0.44 -1.14 0.00 0.00 176.83 176.93 2c4y h ASP 100 N 0.06 0.71 0.31 3.07 3.32 -1.69 -1.83 116.42 120.37 2c4y h ASP 100 Ca 0.05 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 2c4y h ASP 100 Cb 0.23 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2c4y h ASP 100 CO -0.00 0.46 -0.38 0.00 -1.72 0.00 0.00 179.24 177.60 2c4y h GLU 102 N 0.09 0.60 -0.26 0.00 5.08 -0.08 -2.22 114.58 117.78 2c4y h GLU 102 Ca 0.01 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 57.98 2c4y h GLU 102 Cb 0.71 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2c4y h GLU 102 CO 0.05 0.81 -0.41 1.25 -1.00 0.00 0.00 179.01 179.72 2c4y h LEU 103 N 0.52 0.67 -1.22 1.33 6.46 -1.00 -1.96 115.31 120.10 2c4y h LEU 103 Ca 0.07 -0.30 -0.06 0.00 -0.12 0.00 0.00 57.88 57.47 2c4y h LEU 103 Cb 0.74 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 2c4y h LEU 103 CO 0.06 0.99 -0.13 0.40 -0.62 0.00 0.00 178.44 179.14 2c4y h ILE 104 N 0.51 1.21 -0.23 4.05 2.04 -1.15 -1.16 117.51 122.77 2c4y h ILE 104 Ca 0.04 -0.93 -0.19 0.00 1.00 0.00 0.00 64.86 64.77 2c4y h ILE 104 Cb 0.93 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2c4y h ILE 104 CO 0.08 0.30 -0.61 0.58 0.00 0.00 0.00 178.15 178.50 2c4y h VAL 105 N 0.35 1.28 -0.64 1.67 2.07 -1.12 -2.69 116.25 117.16 2c4y h VAL 105 Ca 0.07 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.76 2c4y h VAL 105 Cb 0.45 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 2c4y h VAL 105 CO 0.03 0.58 0.31 0.11 0.02 0.00 0.00 177.57 178.62 2c4y h LYS 106 N 0.59 0.90 -0.79 1.57 1.57 -0.88 -0.85 116.57 118.68 2c4y h LYS 106 Ca -0.01 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 2c4y h LYS 106 Cb 1.23 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 2c4y h LYS 106 CO 0.13 0.70 0.34 0.00 -0.57 0.00 0.00 179.45 180.05 2c4y h ALA 107 N 1.44 1.03 -0.35 3.86 0.00 -1.13 0.14 119.26 124.26 2c4y h ALA 107 Ca 0.22 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2c4y h ALA 107 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2c4y h ALA 107 CO -0.03 0.63 -0.28 0.52 0.00 0.00 0.00 179.25 180.09 2c4y h MET 108 N 1.14 0.73 -0.31 0.00 2.86 -1.04 -1.12 114.93 117.19 2c4y h MET 108 Ca 0.27 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 2c4y h MET 108 Cb 0.18 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2c4y h MET 108 CO -0.03 0.92 -0.17 1.96 1.06 0.00 0.00 176.91 180.66 2c4y h GLN 109 N 0.62 0.67 -0.79 1.72 4.20 -0.75 -2.94 115.11 117.84 2c4y h GLN 109 Ca 0.08 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 2c4y h GLN 109 Cb 0.79 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.52 2c4y h GLN 109 CO 0.07 0.89 0.42 0.78 -0.67 0.00 0.00 178.83 180.32 2c4y h GLY 110 N 0.43 1.19 0.51 3.46 0.00 -0.58 -0.55 103.07 107.52 2c4y h GLY 110 Ca 0.07 -0.55 0.10 0.00 0.00 0.00 0.00 47.33 46.94 2c4y h GLY 110 CO 0.05 0.53 0.50 -2.00 0.00 0.00 0.00 176.54 175.62 2c4y h LEU 111 N 1.11 0.71 -2.12 3.11 5.85 -1.12 -2.61 115.31 120.24 2c4y h LEU 111 Ca 0.28 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2c4y h LEU 111 Cb 0.05 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2c4y h LEU 111 CO -0.04 0.40 0.00 0.18 -0.34 0.00 0.00 178.44 178.64 2c4y n LEU 112 N -4.72 3.18 -4.76 2.25 4.77 -0.97 -4.42 117.00 112.33 2c4y n LEU 112 Ca 0.14 -1.36 -0.39 0.00 -0.03 0.00 0.00 56.01 54.38 2c4y n LEU 112 Cb 0.29 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2c4y n LEU 112 CO 0.27 0.68 1.03 -0.75 -1.33 0.00 0.00 177.39 177.29 2c4y s LYS 113 N -1.56 3.52 0.16 3.23 2.20 -0.25 -4.82 119.74 122.22 2c4y s LYS 113 Ca 0.37 2.34 -0.34 0.00 -0.36 0.00 0.00 55.97 57.98 2c4y s LYS 113 Cb 0.22 -2.53 -0.14 0.00 -1.51 0.00 0.00 37.83 33.87 2c4y s LYS 113 CO 0.31 -0.92 1.57 -3.47 -0.36 0.00 0.00 175.35 172.48 2c4y n ASP 114 N -0.46 3.03 0.00 1.43 2.03 -1.26 -2.05 116.55 119.27 2c4y n ASP 114 Ca 0.07 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.46 2c4y n ASP 114 Cb 0.43 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 2c4y n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2c4y n GLY 115 N 3.38 1.18 3.88 0.27 0.00 -1.26 -5.06 105.19 107.57 2c4y n GLY 115 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2c4y n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2c4y s ASN 116 N -2.09 6.14 0.06 1.61 0.01 -0.87 -4.90 114.94 114.89 2c4y s ASN 116 Ca 0.00 1.23 -0.13 0.00 -0.71 0.00 0.00 52.86 53.25 2c4y s ASN 116 Cb 0.00 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 2c4y s ASN 116 CO 0.00 -0.84 1.22 -0.65 -1.51 0.00 0.00 177.10 175.32 2c4y h PRO 117 N -0.19 -0.12 0.03 -0.60 0.11 -1.89 -2.15 132.00 127.19 2c4y h PRO 117 Ca -0.45 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.70 2c4y h PRO 117 Cb 1.20 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 2c4y h PRO 117 CO 0.62 -0.08 -0.41 0.82 -0.21 0.00 0.00 178.00 178.74 2c4y h ILE 118 N -0.12 0.16 -0.20 4.15 1.08 -1.95 -0.12 117.51 120.51 2c4y h ILE 118 Ca 0.04 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.48 2c4y h ILE 118 Cb 0.22 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 2c4y h ILE 118 CO -0.27 0.00 0.01 1.55 -0.69 0.00 0.00 178.15 178.74 2c4y h PRO 119 N -0.59 0.29 -0.45 2.37 0.13 -1.77 -1.82 132.00 130.17 2c4y h PRO 119 Ca 0.04 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 2c4y h PRO 119 Cb 0.65 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 2c4y h PRO 119 CO -0.30 0.31 -0.15 0.77 -0.23 0.00 0.00 178.00 178.40 2c4y h SER 120 N 0.28 0.84 -0.19 1.44 0.02 -0.73 -1.39 113.55 113.82 2c4y h SER 120 Ca 0.07 -0.28 -0.07 0.00 -0.84 0.00 0.00 61.79 60.67 2c4y h SER 120 Cb 0.19 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2c4y h SER 120 CO 0.00 1.00 -0.14 0.00 -1.14 0.00 0.00 176.83 176.55 2c4y h ALA 121 N 1.07 0.28 -0.33 3.77 0.00 -0.60 -2.86 119.26 120.59 2c4y h ALA 121 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2c4y h ALA 121 Cb 0.67 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2c4y h ALA 121 CO 0.05 0.15 0.20 0.82 0.00 0.00 0.00 179.25 180.47 2c4y h ILE 122 N 0.11 1.10 0.00 0.00 2.04 -1.25 0.51 117.51 120.02 2c4y h ILE 122 Ca 0.04 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2c4y h ILE 122 Cb 0.66 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2c4y h ILE 122 CO 0.04 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.29 2c4y h ALA 123 N 1.09 1.00 -0.37 1.87 0.00 -1.27 -2.57 119.26 119.01 2c4y h ALA 123 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2c4y h ALA 123 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2c4y h ALA 123 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.23 2c4y n ALA 124 N -1.90 2.75 -2.50 0.00 0.00 -0.92 -4.94 120.51 113.00 2c4y n ALA 124 Ca 0.00 -1.75 -0.18 0.00 0.00 0.00 0.00 53.44 51.51 2c4y n ALA 124 Cb 0.18 -0.68 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 2c4y n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2c4y n ASN 125 N 0.18 -5.17 -4.78 0.00 3.02 -0.97 -4.95 115.26 102.59 2c4y n ASN 125 Ca 0.19 0.02 -0.29 0.00 -0.03 0.00 0.00 54.58 54.48 2c4y n ASN 125 Cb 0.74 -4.31 -0.06 0.00 -0.61 0.00 0.00 39.78 35.53 2c4y n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2c4y s SER 126 N -2.12 4.33 0.00 6.41 0.01 0.12 -5.04 113.70 117.42 2c4y s SER 126 Ca 0.04 -1.37 0.00 0.00 1.31 0.00 0.00 55.95 55.93 2c4y s SER 126 Cb -0.02 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2c4y s SER 126 CO 0.05 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.49 2c4y n GLY 127 N -1.38 6.49 3.85 3.44 0.00 -1.26 -4.27 105.19 112.05 2c4y n GLY 127 Ca -0.08 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 2c4y n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c4y s ILE 128 N 1.30 5.13 0.00 -0.61 -1.09 -1.26 -4.82 121.20 119.84 2c4y s ILE 128 Ca 0.00 0.67 0.00 0.00 -2.23 0.00 0.00 60.65 59.09 2c4y s ILE 128 Cb 0.00 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 2c4y s ILE 128 CO 0.00 0.55 0.00 0.00 -1.23 0.00 0.00 174.94 174.26