#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 0.00 -0.32 0.00 2.88 -1.26 -5.04 113.62 109.89 2c4y n SER 2 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 2c4y n SER 2 Cb 0.00 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.00 1.13 -4.06 -3.46 0.23 -1.26 -4.59 115.26 103.26 2c4y n ASN 3 Ca 0.00 -1.09 -0.42 0.00 -0.53 0.00 0.00 54.58 52.54 2c4y n ASN 3 Cb 0.00 0.06 -0.01 0.00 -2.08 0.00 0.00 39.78 37.75 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 -0.37 3.71 -4.52 -2.53 -0.00 -1.26 -4.88 117.46 107.61 2c4y n PHE 4 Ca 0.15 -2.73 -0.24 0.00 -0.00 0.00 0.00 57.45 54.63 2c4y n PHE 4 Cb 0.34 -2.51 -0.11 0.00 -0.00 0.00 0.00 39.48 37.21 2c4y n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2c4y s THR 5 N 4.19 1.81 0.61 -2.13 -4.23 -1.26 -4.86 115.64 109.78 2c4y s THR 5 Ca 0.52 -2.08 -0.12 0.00 -1.18 0.00 0.00 61.69 58.82 2c4y s THR 5 Cb 0.10 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 2c4y s THR 5 CO 0.00 -0.13 1.03 0.00 -0.54 0.00 0.00 174.62 174.98 2c4y s GLN 6 N -3.72 3.58 0.21 3.99 -2.07 -1.26 -4.61 119.66 115.78 2c4y s GLN 6 Ca 0.33 0.82 -0.19 0.00 -1.82 0.00 0.00 55.36 54.50 2c4y s GLN 6 Cb 0.06 -2.08 0.03 0.00 -1.09 0.00 0.00 33.01 29.94 2c4y s GLN 6 CO 0.16 -0.58 0.58 -0.59 -1.32 0.00 0.00 175.29 173.53 2c4y s PHE 7 N -3.04 -0.21 -0.40 9.60 -0.71 -0.25 -5.00 117.98 117.97 2c4y s PHE 7 Ca 0.56 -0.14 -0.24 0.00 -1.04 0.00 0.00 56.93 56.07 2c4y s PHE 7 Cb -0.11 0.49 0.02 0.00 -1.21 0.00 0.00 43.02 42.20 2c4y s PHE 7 CO 0.49 -0.97 0.86 0.08 -1.34 0.00 0.00 175.22 174.34 2c4y s VAL 8 N -3.86 4.61 -0.12 -2.49 1.01 -1.26 -0.58 120.40 117.70 2c4y s VAL 8 Ca 0.08 0.86 -0.28 0.00 0.00 0.00 0.00 61.98 62.65 2c4y s VAL 8 Cb -0.02 -4.32 -0.27 0.00 0.00 0.00 0.00 36.38 31.77 2c4y s VAL 8 CO -0.03 -0.61 0.81 0.25 0.00 0.00 0.00 175.10 175.52 2c4y h LEU 9 N 10.11 0.07 -8.16 3.92 5.85 -1.23 -3.44 115.31 122.44 2c4y h LEU 9 Ca -0.24 -0.97 -0.67 0.00 0.84 0.00 0.00 57.88 56.84 2c4y h LEU 9 Cb 1.08 -0.02 -0.32 0.00 0.37 0.00 0.00 40.66 41.77 2c4y h LEU 9 CO 0.97 1.04 -0.78 -0.69 -0.34 0.00 0.00 178.44 178.64 2c4y s VAL 10 N -2.33 2.70 -0.28 1.05 1.01 -0.66 -4.99 120.40 116.90 2c4y s VAL 10 Ca -0.18 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 2c4y s VAL 10 Cb -0.02 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2c4y s VAL 10 CO 0.71 0.33 0.33 -0.62 0.00 0.00 0.00 175.10 175.85 2c4y s ASP 11 N 1.33 6.19 -0.39 3.32 2.15 -1.26 -0.97 116.67 127.05 2c4y s ASP 11 Ca 0.02 0.18 0.10 0.00 0.43 0.00 0.00 52.55 53.28 2c4y s ASP 11 Cb -0.15 -2.19 0.44 0.00 -0.30 0.00 0.00 42.92 40.72 2c4y s ASP 11 CO -0.07 -0.16 1.06 0.59 -0.17 0.00 0.00 175.17 176.41 2c4y n ASN 12 N 5.27 3.50 -3.50 -0.34 3.02 -1.26 -4.98 115.26 116.97 2c4y n ASN 12 Ca -0.10 -3.33 -0.17 0.00 -0.03 0.00 0.00 54.58 50.95 2c4y n ASN 12 Cb 0.51 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.34 -1.18 1.40 7.41 0.00 -1.26 -2.30 105.19 108.92 2c4y n GLY 13 Ca 0.28 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 46.92 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 -1.51 0.12 2.57 -0.02 0.00 -1.26 -4.84 105.19 100.23 2c4y n GLY 14 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 2c4y n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2c4y s THR 15 N -0.84 -0.08 0.00 2.61 -4.23 -0.97 -4.74 115.64 107.37 2c4y s THR 15 Ca 0.00 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 2c4y s THR 15 Cb 0.00 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.85 2c4y s THR 15 CO 0.00 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.94 2c4y n GLY 16 N 4.91 0.97 3.72 3.99 0.00 -1.26 -4.79 105.19 112.73 2c4y n GLY 16 Ca -0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.24 7.02 -0.52 1.61 1.11 -1.26 -4.70 116.67 117.69 2c4y s ASP 17 Ca 0.00 2.14 -0.22 0.00 0.18 0.00 0.00 52.55 54.64 2c4y s ASP 17 Cb 0.00 -2.59 0.04 0.00 1.07 0.00 0.00 42.92 41.45 2c4y s ASP 17 CO 0.00 -0.49 0.80 -0.69 1.18 0.00 0.00 175.17 175.97 2c4y s VAL 18 N 0.80 4.61 -0.09 -1.27 1.01 -0.14 -4.97 120.40 120.35 2c4y s VAL 18 Ca 0.59 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 2c4y s VAL 18 Cb -0.32 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 2c4y s VAL 18 CO 0.31 -0.93 0.06 0.28 0.00 0.00 0.00 175.10 174.82 2c4y s THR 19 N 3.37 4.83 0.00 3.92 -1.32 -1.26 -0.66 115.64 124.52 2c4y s THR 19 Ca 0.25 -0.08 0.08 0.00 -1.21 0.00 0.00 61.69 60.73 2c4y s THR 19 Cb -0.15 -3.08 -0.02 0.00 -1.51 0.00 0.00 72.50 67.74 2c4y s THR 19 CO 0.17 0.59 -0.25 0.54 -2.21 0.00 0.00 174.62 173.46 2c4y s VAL 20 N -0.97 2.03 0.12 5.08 0.11 0.25 -4.41 120.40 122.61 2c4y s VAL 20 Ca 0.15 -1.17 0.06 0.00 -2.93 0.00 0.00 61.98 58.09 2c4y s VAL 20 Cb -0.12 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.00 2c4y s VAL 20 CO 0.04 0.50 -0.15 0.00 -3.33 0.00 0.00 175.10 172.16 2c4y s ALA 21 N -0.66 1.54 0.02 1.54 0.00 -0.14 -1.09 121.76 122.97 2c4y s ALA 21 Ca 0.10 -1.30 -0.35 0.00 0.00 0.00 0.00 51.96 50.42 2c4y s ALA 21 Cb -0.10 -0.09 -0.14 0.00 0.00 0.00 0.00 23.12 22.79 2c4y s ALA 21 CO -0.00 0.13 1.67 -2.30 0.00 0.00 0.00 175.76 175.26 2c4y n PRO 22 N 0.56 1.94 0.00 0.00 -0.02 -1.26 -1.16 135.00 135.05 2c4y n PRO 22 Ca -0.16 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2c4y n PRO 22 Cb 0.57 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 4.64 1.22 -3.62 2.55 3.41 0.11 -4.87 113.62 117.06 2c4y n SER 23 Ca 0.20 -0.15 -0.07 0.00 -0.26 0.00 0.00 58.87 58.59 2c4y n SER 23 Cb 0.26 0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.80 -0.24 -0.02 4.04 3.84 -1.20 -4.98 114.94 115.57 2c4y s ASN 24 Ca 0.00 0.35 0.03 0.00 0.21 0.00 0.00 52.86 53.45 2c4y s ASN 24 Cb 0.00 0.31 0.05 0.00 -0.55 0.00 0.00 41.25 41.06 2c4y s ASN 24 CO 0.00 -0.16 0.90 0.33 -2.79 0.00 0.00 177.10 175.38 2c4y n PHE 25 N 1.15 0.00 -1.91 0.43 -0.00 -1.25 -0.05 117.46 115.83 2c4y n PHE 25 Ca -0.08 -0.21 -0.41 0.00 -0.00 0.00 0.00 57.45 56.75 2c4y n PHE 25 Cb 0.58 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.48 39.98 2c4y n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c4y s ALA 26 N -0.56 3.68 -1.25 3.13 0.00 -1.25 -2.93 121.76 122.58 2c4y s ALA 26 Ca 0.05 1.44 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 2c4y s ALA 26 Cb 0.05 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2c4y s ALA 26 CO 0.00 -0.85 0.23 0.09 0.00 0.00 0.00 175.76 175.23 2c4y n ASN 27 N 2.23 -4.82 -0.47 0.00 3.02 -1.26 -2.88 115.26 111.09 2c4y n ASN 27 Ca 0.07 -0.11 -0.06 0.00 -0.03 0.00 0.00 54.58 54.45 2c4y n ASN 27 Cb 0.39 -3.81 -0.03 0.00 -0.61 0.00 0.00 39.78 35.72 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 -1.17 0.75 3.25 7.41 0.00 -1.15 -4.97 105.19 109.30 2c4y n GLY 28 Ca -0.14 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.89 3.48 0.07 1.61 1.01 -1.14 -4.62 120.40 118.92 2c4y s VAL 29 Ca 0.00 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.57 2c4y s VAL 29 Cb 0.00 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 2c4y s VAL 29 CO 0.00 -0.06 1.08 0.00 0.00 0.00 0.00 175.10 176.12 2c4y s ALA 30 N 1.37 3.30 0.05 5.51 0.00 -0.14 -3.91 121.76 127.93 2c4y s ALA 30 Ca -0.02 0.71 0.07 0.00 0.00 0.00 0.00 51.96 52.73 2c4y s ALA 30 Cb -0.19 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2c4y s ALA 30 CO 0.01 -0.27 -0.19 -2.00 0.00 0.00 0.00 175.76 173.30 2c4y s GLU 31 N 0.60 1.26 0.01 0.00 2.12 0.93 -1.02 118.70 122.59 2c4y s GLU 31 Ca 0.53 -0.95 0.03 0.00 0.36 0.00 0.00 54.97 54.94 2c4y s GLU 31 Cb -0.26 -1.38 -0.01 0.00 0.26 0.00 0.00 34.13 32.74 2c4y s GLU 31 CO 0.30 0.34 -0.08 -1.58 -0.54 0.00 0.00 175.26 173.70 2c4y s TRP 32 N -0.88 0.74 0.09 5.30 0.51 0.28 -0.71 118.94 124.27 2c4y s TRP 32 Ca 0.06 -0.20 -0.03 0.00 -2.12 0.00 0.00 56.10 53.80 2c4y s TRP 32 Cb -0.09 -0.46 -0.03 0.00 -0.81 0.00 0.00 33.47 32.08 2c4y s TRP 32 CO 0.02 -0.02 0.07 0.96 -0.51 0.00 0.00 176.95 177.48 2c4y s ILE 33 N -0.42 0.15 0.42 2.03 -4.36 -0.31 -1.24 121.20 117.47 2c4y s ILE 33 Ca 0.01 -1.68 -0.01 0.00 -0.26 0.00 0.00 60.65 58.72 2c4y s ILE 33 Cb -0.04 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 41.97 2c4y s ILE 33 CO -0.00 -0.70 0.65 -0.94 0.24 0.00 0.00 174.94 174.19 2c4y s SER 34 N -2.95 6.11 -1.03 4.36 1.04 -1.00 -0.97 113.70 119.26 2c4y s SER 34 Ca 0.13 0.50 -0.24 0.00 0.48 0.00 0.00 55.95 56.81 2c4y s SER 34 Cb 0.07 -1.90 -0.08 0.00 0.10 0.00 0.00 66.02 64.21 2c4y s SER 34 CO -0.06 -0.51 1.98 -0.44 0.98 0.00 0.00 173.24 175.19 2c4y s SER 35 N -4.12 4.93 0.33 7.02 0.01 -1.26 -4.73 113.70 115.87 2c4y s SER 35 Ca 0.45 -1.08 -0.10 0.00 1.31 0.00 0.00 55.95 56.53 2c4y s SER 35 Cb -0.10 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.57 2c4y s SER 35 CO 0.39 -3.07 0.58 0.20 0.41 0.00 0.00 173.24 171.75 2c4y s ASN 36 N 7.55 0.34 0.36 2.44 0.01 -1.26 -5.06 114.94 119.33 2c4y s ASN 36 Ca 0.71 -1.20 -0.26 0.00 -0.71 0.00 0.00 52.86 51.40 2c4y s ASN 36 Cb -0.04 0.70 -0.09 0.00 0.41 0.00 0.00 41.25 42.23 2c4y s ASN 36 CO 0.07 -1.37 1.09 -0.94 -1.51 0.00 0.00 177.10 174.43 2c4y s SER 37 N -3.12 6.89 0.64 -1.22 1.04 -1.26 -4.80 113.70 111.87 2c4y s SER 37 Ca 0.23 2.17 0.22 0.00 0.48 0.00 0.00 55.95 59.05 2c4y s SER 37 Cb -0.02 -2.60 1.11 0.00 0.10 0.00 0.00 66.02 64.60 2c4y s SER 37 CO 0.14 -0.40 1.61 -0.09 0.98 0.00 0.00 173.24 175.48 2c4y h ARG 38 N 2.98 0.00 0.00 4.02 9.65 -1.97 0.34 114.38 129.39 2c4y h ARG 38 Ca -0.48 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 2c4y h ARG 38 Cb 1.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 2c4y h ARG 38 CO 0.64 0.00 -0.33 0.66 2.80 0.00 0.00 179.97 183.74 2c4y h SER 39 N 0.00 0.00 -0.03 -3.80 4.64 -1.89 -3.33 113.55 109.14 2c4y h SER 39 Ca 0.12 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2c4y h SER 39 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 2c4y h SER 39 CO -0.00 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 2c4y n GLN 40 N -2.73 2.45 -2.76 4.77 6.02 0.11 -3.92 117.38 121.32 2c4y n GLN 40 Ca 0.03 -1.41 -0.32 0.00 -0.01 0.00 0.00 57.00 55.29 2c4y n GLN 40 Cb 0.51 -1.02 -0.05 0.00 1.02 0.00 0.00 30.24 30.69 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 -0.87 3.16 0.25 -1.58 0.00 -0.79 -4.85 121.76 117.08 2c4y s ALA 41 Ca 0.02 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 2c4y s ALA 41 Cb 0.01 -2.98 -0.09 0.00 0.00 0.00 0.00 23.12 20.06 2c4y s ALA 41 CO 0.01 0.03 0.92 0.71 0.00 0.00 0.00 175.76 177.43 2c4y s TYR 42 N -2.32 3.92 -0.02 0.00 1.51 -1.26 -4.68 117.35 114.50 2c4y s TYR 42 Ca 0.58 1.85 0.03 0.00 -1.01 0.00 0.00 57.07 58.51 2c4y s TYR 42 Cb -0.10 -2.94 0.00 0.00 -0.11 0.00 0.00 41.96 38.81 2c4y s TYR 42 CO 0.23 0.42 -0.09 0.21 -1.11 0.00 0.00 175.55 175.20 2c4y s LYS 43 N -1.36 0.93 -0.05 -0.62 2.20 -1.07 -2.38 119.74 117.39 2c4y s LYS 43 Ca 0.42 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.72 2c4y s LYS 43 Cb -0.24 -0.88 0.02 0.00 -1.51 0.00 0.00 37.83 35.22 2c4y s LYS 43 CO 0.30 0.14 -0.06 0.08 -0.36 0.00 0.00 175.35 175.44 2c4y s VAL 44 N 0.09 0.70 0.08 4.02 1.01 -0.37 -0.45 120.40 125.48 2c4y s VAL 44 Ca -0.02 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.82 2c4y s VAL 44 Cb -0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 2c4y s VAL 44 CO 0.00 0.27 -0.16 0.42 0.00 0.00 0.00 175.10 175.63 2c4y s THR 45 N 0.96 1.29 -0.07 3.92 -4.23 0.01 -0.56 115.64 116.97 2c4y s THR 45 Ca -0.10 -1.35 -0.09 0.00 -1.18 0.00 0.00 61.69 58.96 2c4y s THR 45 Cb -0.14 -1.21 0.02 0.00 1.34 0.00 0.00 72.50 72.50 2c4y s THR 45 CO 0.00 -0.16 0.24 0.00 -0.54 0.00 0.00 174.62 174.17 2c4y s SER 47 N -0.34 -0.47 0.01 0.00 1.04 -0.82 -0.97 113.70 112.16 2c4y s SER 47 Ca -0.04 0.61 0.08 0.00 0.48 0.00 0.00 55.95 57.08 2c4y s SER 47 Cb -0.03 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 2c4y s SER 47 CO 0.01 -0.43 -0.25 -0.69 0.98 0.00 0.00 173.24 172.86 2c4y s VAL 48 N -0.80 2.03 -0.00 5.02 1.01 -1.26 -0.91 120.40 125.48 2c4y s VAL 48 Ca -0.09 -1.21 -0.08 0.00 0.00 0.00 0.00 61.98 60.61 2c4y s VAL 48 Cb -0.03 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.65 2c4y s VAL 48 CO 0.05 0.46 0.16 -0.60 0.00 0.00 0.00 175.10 175.18 2c4y s ARG 49 N -0.88 0.49 -1.25 2.72 3.52 -0.71 -4.98 118.95 117.86 2c4y s ARG 49 Ca 0.10 -0.33 -0.11 0.00 -0.13 0.00 0.00 55.73 55.26 2c4y s ARG 49 Cb -0.10 0.21 0.17 0.00 -1.56 0.00 0.00 34.95 33.67 2c4y s ARG 49 CO 0.00 -0.12 1.72 0.94 -0.81 0.00 0.00 175.30 177.04 2c4y n GLN 50 N 1.52 3.57 -0.51 5.12 -0.06 -1.26 -0.42 117.38 125.33 2c4y n GLN 50 Ca -0.22 -3.66 0.44 0.00 -2.00 0.00 0.00 57.00 51.56 2c4y n GLN 50 Cb 0.56 -2.95 0.78 0.00 -4.06 0.00 0.00 30.24 24.56 2c4y n GLN 50 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2c4y h SER 51 N 6.18 0.00 -4.38 1.69 4.64 -1.88 -3.43 113.55 116.37 2c4y h SER 51 Ca 0.36 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.33 2c4y h SER 51 Cb 0.71 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.71 2c4y h SER 51 CO 1.50 0.00 -0.26 -0.24 -0.87 0.00 0.00 176.83 176.95 2c4y n SER 52 N -3.99 -1.19 -0.21 4.97 2.88 -1.22 -4.99 113.62 109.87 2c4y n SER 52 Ca 0.35 -3.07 -0.06 0.00 -1.33 0.00 0.00 58.87 54.76 2c4y n SER 52 Cb 1.66 2.34 0.09 0.00 -0.75 0.00 0.00 64.21 67.55 2c4y n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2c4y h ALA 53 N 2.07 1.02 -0.19 -1.46 0.00 -2.03 -3.26 119.26 115.42 2c4y h ALA 53 Ca -0.27 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 2c4y h ALA 53 Cb 1.24 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2c4y h ALA 53 CO 0.37 0.63 -0.07 1.04 0.00 0.00 0.00 179.25 181.23 2c4y n GLN 54 N -4.23 2.05 -4.06 0.00 6.02 -1.26 -4.99 117.38 110.91 2c4y n GLN 54 Ca 0.05 -2.91 -0.08 0.00 -0.01 0.00 0.00 57.00 54.04 2c4y n GLN 54 Cb 0.26 -1.72 -0.10 0.00 1.02 0.00 0.00 30.24 29.70 2c4y n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2c4y s ASN 55 N -2.49 0.51 -0.03 1.08 0.02 -1.23 -2.24 114.94 110.56 2c4y s ASN 55 Ca 0.40 -0.82 0.02 0.00 -1.02 0.00 0.00 52.86 51.44 2c4y s ASN 55 Cb 0.34 0.15 0.00 0.00 0.02 0.00 0.00 41.25 41.77 2c4y s ASN 55 CO 0.03 -0.47 -0.09 -0.13 0.02 0.00 0.00 177.10 176.46 2c4y s ARG 56 N -3.02 1.00 -0.12 -0.60 0.52 -0.68 -3.13 118.95 112.92 2c4y s ARG 56 Ca -0.00 -0.30 0.02 0.00 -0.52 0.00 0.00 55.73 54.92 2c4y s ARG 56 Cb 0.01 -0.93 0.01 0.00 0.52 0.00 0.00 34.95 34.57 2c4y s ARG 56 CO -0.06 0.10 -0.16 0.21 0.02 0.00 0.00 175.30 175.40 2c4y s LYS 57 N 0.26 2.39 -0.11 3.54 2.20 0.44 -0.92 119.74 127.53 2c4y s LYS 57 Ca -0.04 -0.62 -0.12 0.00 -0.36 0.00 0.00 55.97 54.83 2c4y s LYS 57 Cb -0.09 -2.03 -0.05 0.00 -1.51 0.00 0.00 37.83 34.15 2c4y s LYS 57 CO 0.01 -0.08 0.27 0.71 -0.36 0.00 0.00 175.35 175.90 2c4y s TYR 58 N 1.03 3.56 -0.21 4.03 1.51 0.02 -1.73 117.35 125.55 2c4y s TYR 58 Ca -0.05 0.66 0.02 0.00 -1.01 0.00 0.00 57.07 56.68 2c4y s TYR 58 Cb -0.15 -2.22 0.04 0.00 -0.11 0.00 0.00 41.96 39.53 2c4y s TYR 58 CO -0.03 0.47 -0.14 0.99 -1.11 0.00 0.00 175.55 175.72 2c4y s THR 59 N -0.30 1.95 -0.03 -0.71 2.01 -0.09 -0.91 115.64 117.56 2c4y s THR 59 Ca 0.17 -1.15 0.07 0.00 0.31 0.00 0.00 61.69 61.10 2c4y s THR 59 Cb -0.13 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 2c4y s THR 59 CO 0.06 0.26 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.37 2c4y s ILE 60 N 1.28 2.05 -0.02 1.82 1.01 0.16 -1.94 121.20 125.55 2c4y s ILE 60 Ca -0.01 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.56 2c4y s ILE 60 Cb -0.16 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.61 2c4y s ILE 60 CO -0.09 0.57 -0.02 -0.54 0.00 0.00 0.00 174.94 174.86 2c4y s LYS 61 N -0.43 0.32 -0.02 2.79 1.02 -0.55 -0.82 119.74 122.04 2c4y s LYS 61 Ca 0.05 -0.03 0.05 0.00 0.02 0.00 0.00 55.97 56.05 2c4y s LYS 61 Cb -0.11 -0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 36.80 2c4y s LYS 61 CO 0.01 -0.03 -0.16 0.08 -0.92 0.00 0.00 175.35 174.33 2c4y s VAL 62 N 0.46 1.29 -0.20 3.17 1.01 -0.48 -0.81 120.40 124.84 2c4y s VAL 62 Ca -0.05 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2c4y s VAL 62 Cb -0.08 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.25 2c4y s VAL 62 CO -0.01 0.37 -0.16 -1.61 0.00 0.00 0.00 175.10 173.69 2c4y s GLU 63 N -0.25 2.59 -0.27 2.72 2.02 0.41 -1.20 118.70 124.72 2c4y s GLU 63 Ca 0.03 -0.92 -0.08 0.00 0.02 0.00 0.00 54.97 54.03 2c4y s GLU 63 Cb -0.08 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 2c4y s GLU 63 CO 0.00 -0.33 0.09 0.08 0.02 0.00 0.00 175.26 175.12 2c4y s VAL 64 N 1.29 4.33 0.18 2.63 1.01 -0.46 -2.60 120.40 126.78 2c4y s VAL 64 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2c4y s VAL 64 Cb -0.15 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2c4y s VAL 64 CO -0.10 0.24 0.36 -2.16 0.00 0.00 0.00 175.10 173.44 2c4y s PRO 65 N 1.60 3.50 -0.54 2.72 0.04 -1.26 -0.50 135.00 140.56 2c4y s PRO 65 Ca 0.05 -0.41 -0.07 0.00 0.04 0.00 0.00 61.00 60.62 2c4y s PRO 65 Cb -0.16 -2.88 0.14 0.00 0.04 0.00 0.00 34.50 31.65 2c4y s PRO 65 CO 0.04 0.44 0.39 0.21 0.04 0.00 0.00 177.00 178.12 2c4y s LYS 66 N -3.28 2.53 0.39 4.56 2.47 -0.48 -4.99 119.74 120.93 2c4y s LYS 66 Ca 0.37 -2.07 -0.27 0.00 -1.56 0.00 0.00 55.97 52.45 2c4y s LYS 66 Cb -0.11 -3.86 -0.09 0.00 -1.46 0.00 0.00 37.83 32.31 2c4y s LYS 66 CO 0.29 -1.18 1.28 0.14 0.16 0.00 0.00 175.35 176.05 2c4y s VAL 67 N 0.78 2.72 0.22 4.02 -7.23 -1.26 0.18 120.40 119.83 2c4y s VAL 67 Ca 0.11 0.65 -0.18 0.00 -1.81 0.00 0.00 61.98 60.76 2c4y s VAL 67 Cb -0.22 -3.39 0.02 0.00 0.56 0.00 0.00 36.38 33.35 2c4y s VAL 67 CO -0.03 0.11 0.56 0.00 -0.31 0.00 0.00 175.10 175.43 2c4y s ALA 68 N -1.25 -0.89 -0.25 1.32 0.00 -0.24 -4.73 121.76 115.72 2c4y s ALA 68 Ca 0.55 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 2c4y s ALA 68 Cb -0.37 0.90 0.02 0.00 0.00 0.00 0.00 23.12 23.66 2c4y s ALA 68 CO 0.48 -0.87 -0.06 0.99 0.00 0.00 0.00 175.76 176.31 2c4y s THR 69 N -3.91 2.96 -0.09 0.00 2.01 -1.26 -0.90 115.64 114.45 2c4y s THR 69 Ca 0.12 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 2c4y s THR 69 Cb -0.02 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 2c4y s THR 69 CO 0.01 0.23 -0.03 -1.58 -0.69 0.00 0.00 174.62 172.56 2c4y s GLN 70 N 1.35 3.01 -0.63 4.92 0.74 -0.34 -4.88 119.66 123.82 2c4y s GLN 70 Ca 0.01 -0.48 -0.18 0.00 0.05 0.00 0.00 55.36 54.77 2c4y s GLN 70 Cb -0.16 -2.74 0.12 0.00 1.10 0.00 0.00 33.01 31.33 2c4y s GLN 70 CO -0.04 0.61 0.70 0.99 -0.55 0.00 0.00 175.29 177.00 2c4y s THR 71 N -0.65 4.99 -0.16 -0.34 2.01 -1.26 -0.48 115.64 119.75 2c4y s THR 71 Ca 0.10 -1.32 -0.04 0.00 0.31 0.00 0.00 61.69 60.74 2c4y s THR 71 Cb -0.12 -4.48 -0.03 0.00 0.01 0.00 0.00 72.50 67.89 2c4y s THR 71 CO 0.02 -1.09 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.14 2c4y s VAL 72 N 2.17 3.98 -1.54 3.82 1.01 0.14 -4.43 120.40 125.55 2c4y s VAL 72 Ca 0.12 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 2c4y s VAL 72 Cb -0.22 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.41 2c4y s VAL 72 CO 0.03 0.48 0.62 0.61 0.00 0.00 0.00 175.10 176.84 2c4y n GLY 73 N 3.63 -0.52 2.33 4.51 0.00 -1.26 -0.99 105.19 112.88 2c4y n GLY 73 Ca -0.17 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2c4y n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c4y n GLY 74 N -1.52 0.84 2.98 -0.02 0.00 -1.26 -5.00 105.19 101.20 2c4y n GLY 74 Ca -0.10 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 2c4y n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c4y s VAL 75 N -2.54 0.71 -0.02 1.61 1.01 -0.17 -5.09 120.40 115.92 2c4y s VAL 75 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 2c4y s VAL 75 Cb 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 2c4y s VAL 75 CO 0.00 0.23 1.00 -1.61 0.00 0.00 0.00 175.10 174.72 2c4y s GLU 76 N 0.26 4.52 0.01 2.72 2.02 -1.26 0.27 118.70 127.24 2c4y s GLU 76 Ca -0.04 1.43 0.03 0.00 0.02 0.00 0.00 54.97 56.41 2c4y s GLU 76 Cb -0.09 -3.48 -0.01 0.00 0.10 0.00 0.00 34.13 30.66 2c4y s GLU 76 CO 0.00 -0.12 -0.09 -0.51 0.02 0.00 0.00 175.26 174.56 2c4y s LEU 77 N 1.26 2.07 0.00 1.80 1.43 0.37 -4.96 118.68 120.65 2c4y s LEU 77 Ca 0.51 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 2c4y s LEU 77 Cb -0.21 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 2c4y s LEU 77 CO 0.26 0.06 1.14 -2.16 0.23 0.00 0.00 176.35 175.87 2c4y s PRO 78 N -0.51 4.44 0.21 1.29 0.04 -1.26 -1.20 135.00 138.00 2c4y s PRO 78 Ca 0.01 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 2c4y s PRO 78 Cb -0.05 -3.45 0.01 0.00 0.04 0.00 0.00 34.50 31.06 2c4y s PRO 78 CO 0.00 -0.27 0.31 1.55 0.04 0.00 0.00 177.00 178.64 2c4y n VAL 79 N 4.16 0.00 -4.07 -0.36 3.14 -0.08 -4.76 118.33 116.36 2c4y n VAL 79 Ca 0.09 -0.96 -0.33 0.00 -2.96 0.00 0.00 64.34 60.17 2c4y n VAL 79 Cb 0.48 0.63 -0.16 0.00 -1.06 0.00 0.00 33.84 33.73 2c4y n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2c4y s ALA 80 N -2.17 2.44 0.22 1.55 0.00 -1.25 -1.08 121.76 121.47 2c4y s ALA 80 Ca 0.16 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 2c4y s ALA 80 Cb -0.01 -1.30 0.31 0.00 0.00 0.00 0.00 23.12 22.12 2c4y s ALA 80 CO 0.11 -0.38 1.79 0.00 0.00 0.00 0.00 175.76 177.29 2c4y h ALA 81 N 7.98 0.98 -2.48 0.00 0.00 -0.56 -3.46 119.26 121.73 2c4y h ALA 81 Ca -0.45 0.04 0.16 0.00 0.00 0.00 0.00 54.91 54.66 2c4y h ALA 81 Cb 1.14 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 2c4y h ALA 81 CO 0.63 0.01 0.44 1.67 0.00 0.00 0.00 179.25 182.00 2c4y s TRP 82 N -6.07 -0.13 0.04 0.00 1.48 -1.25 -5.03 118.94 107.99 2c4y s TRP 82 Ca -0.13 -0.21 0.04 0.00 -1.06 0.00 0.00 56.10 54.74 2c4y s TRP 82 Cb 0.18 0.66 -0.02 0.00 -1.16 0.00 0.00 33.47 33.12 2c4y s TRP 82 CO 0.76 -0.92 -0.11 1.03 -4.06 0.00 0.00 176.95 173.66 2c4y s ARG 83 N -3.36 0.71 -0.10 3.25 0.52 -1.26 -1.39 118.95 117.32 2c4y s ARG 83 Ca 0.12 -0.74 -0.03 0.00 -0.52 0.00 0.00 55.73 54.57 2c4y s ARG 83 Cb -0.02 -0.63 -0.03 0.00 0.52 0.00 0.00 34.95 34.78 2c4y s ARG 83 CO 0.03 0.14 0.01 0.45 0.02 0.00 0.00 175.30 175.96 2c4y s SER 84 N -1.32 5.30 -0.11 0.23 0.15 0.35 -4.95 113.70 113.35 2c4y s SER 84 Ca -0.03 0.14 0.04 0.00 0.70 0.00 0.00 55.95 56.80 2c4y s SER 84 Cb -0.08 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 2c4y s SER 84 CO 0.01 0.35 -0.23 -0.31 1.20 0.00 0.00 173.24 174.26 2c4y s TYR 85 N -0.73 2.55 -0.20 3.44 1.51 -1.26 -1.35 117.35 121.30 2c4y s TYR 85 Ca 0.12 -1.09 -0.03 0.00 -1.01 0.00 0.00 57.07 55.06 2c4y s TYR 85 Cb -0.12 -1.71 -0.01 0.00 -0.11 0.00 0.00 41.96 40.02 2c4y s TYR 85 CO 0.02 -0.45 -0.06 -1.17 -1.11 0.00 0.00 175.55 172.78 2c4y s LEU 86 N 0.44 2.85 -0.19 -1.29 2.96 -0.34 -4.99 118.68 118.11 2c4y s LEU 86 Ca -0.17 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2c4y s LEU 86 Cb -0.17 -1.71 0.04 0.00 0.50 0.00 0.00 46.19 44.85 2c4y s LEU 86 CO 0.07 0.02 -0.11 0.20 -1.32 0.00 0.00 176.35 175.21 2c4y s ASN 87 N 1.24 3.26 -0.02 3.68 0.01 -1.26 -1.39 114.94 120.46 2c4y s ASN 87 Ca 0.03 -0.82 0.04 0.00 -0.71 0.00 0.00 52.86 51.40 2c4y s ASN 87 Cb -0.14 -1.21 -0.01 0.00 0.41 0.00 0.00 41.25 40.30 2c4y s ASN 87 CO -0.02 -0.13 -0.15 0.00 -1.51 0.00 0.00 177.10 175.29 2c4y s MET 88 N 1.42 1.31 -0.09 -0.60 0.23 0.00 -5.02 119.30 116.56 2c4y s MET 88 Ca -0.00 -0.52 0.03 0.00 -1.03 0.00 0.00 55.69 54.17 2c4y s MET 88 Cb -0.16 -1.22 0.01 0.00 -1.53 0.00 0.00 34.83 31.93 2c4y s MET 88 CO -0.09 0.27 -0.19 -1.21 -2.03 0.00 0.00 175.02 171.78 2c4y s GLU 89 N -0.18 2.46 -0.18 3.16 2.02 -1.26 -0.67 118.70 124.05 2c4y s GLU 89 Ca 0.02 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.35 2c4y s GLU 89 Cb -0.08 -1.93 0.03 0.00 0.10 0.00 0.00 34.13 32.25 2c4y s GLU 89 CO 0.00 0.09 -0.16 -1.17 0.02 0.00 0.00 175.26 174.04 2c4y s LEU 90 N 0.55 2.19 -0.25 1.80 2.96 -0.09 -4.96 118.68 120.89 2c4y s LEU 90 Ca -0.16 -0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 52.94 2c4y s LEU 90 Cb -0.17 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 2c4y s LEU 90 CO 0.05 -0.06 0.10 -0.89 -1.32 0.00 0.00 176.35 174.23 2c4y s THR 91 N 1.33 4.58 -0.11 3.68 2.01 -1.26 -0.80 115.64 125.07 2c4y s THR 91 Ca 0.02 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.98 2c4y s THR 91 Cb -0.14 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.23 2c4y s THR 91 CO -0.11 0.33 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.29 2c4y s ILE 92 N 1.54 2.01 0.51 1.82 1.01 -0.10 -4.97 121.20 123.02 2c4y s ILE 92 Ca 0.06 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.52 2c4y s ILE 92 Cb -0.15 -1.75 -0.06 0.00 0.01 0.00 0.00 42.46 40.51 2c4y s ILE 92 CO 0.05 0.55 1.21 -2.16 0.00 0.00 0.00 174.94 174.58 2c4y s PRO 93 N 0.50 3.42 0.27 2.79 0.04 -1.26 -1.68 135.00 139.08 2c4y s PRO 93 Ca -0.15 1.85 0.20 0.00 0.04 0.00 0.00 61.00 62.94 2c4y s PRO 93 Cb -0.17 -2.22 1.01 0.00 0.04 0.00 0.00 34.50 33.15 2c4y s PRO 93 CO 0.06 -0.85 1.61 0.44 0.04 0.00 0.00 177.00 178.29 2c4y n ILE 94 N -0.93 1.08 1.01 0.56 -5.35 -0.95 -1.87 119.36 112.91 2c4y n ILE 94 Ca 0.10 0.59 0.14 0.00 -0.27 0.00 0.00 62.75 63.30 2c4y n ILE 94 Cb 0.48 -1.57 0.53 0.00 -1.74 0.00 0.00 39.64 37.34 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 -2.16 0.00 -2.20 4.28 3.72 -1.26 -4.84 117.46 114.99 2c4y n PHE 95 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 2c4y n PHE 95 Cb 0.08 -0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 38.16 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 -2.99 3.57 0.86 4.37 0.00 -0.78 -5.02 121.76 121.77 2c4y s ALA 96 Ca 0.14 1.03 -0.09 0.00 0.00 0.00 0.00 51.96 53.03 2c4y s ALA 96 Cb 0.19 -3.55 0.17 0.00 0.00 0.00 0.00 23.12 19.93 2c4y s ALA 96 CO 0.57 -0.69 1.18 0.95 0.00 0.00 0.00 175.76 177.77 2c4y s THR 97 N 1.50 2.05 0.28 0.00 -4.23 -1.26 -4.85 115.64 109.13 2c4y s THR 97 Ca 0.64 -0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 2c4y s THR 97 Cb -0.35 -2.80 0.18 0.00 1.34 0.00 0.00 72.50 70.88 2c4y s THR 97 CO 0.29 0.00 1.86 0.78 -0.54 0.00 0.00 174.62 177.01 2c4y h ASN 98 N -1.17 0.81 0.43 3.99 2.35 -1.99 -1.28 115.58 118.72 2c4y h ASN 98 Ca -0.41 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.13 2c4y h ASN 98 Cb 1.25 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 2c4y h ASN 98 CO 0.39 0.74 -0.45 0.77 -1.65 0.00 0.00 177.43 177.23 2c4y h SER 99 N 0.87 0.04 -0.33 5.81 4.64 -1.99 -0.18 113.55 122.41 2c4y h SER 99 Ca 0.20 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.38 2c4y h SER 99 Cb 0.20 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2c4y h SER 99 CO -0.02 0.49 -0.26 0.44 -0.87 0.00 0.00 176.83 176.61 2c4y h ASP 100 N 0.03 0.86 0.39 4.97 3.32 -1.68 -2.65 116.42 121.66 2c4y h ASP 100 Ca -0.00 -0.33 -0.15 0.00 0.02 0.00 0.00 57.03 56.57 2c4y h ASP 100 Cb 0.82 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2c4y h ASP 100 CO 0.06 1.07 -0.64 0.00 -1.72 0.00 0.00 179.24 178.01 2c4y h GLU 102 N 0.17 0.32 -0.46 0.00 5.08 -0.89 -2.08 114.58 116.72 2c4y h GLU 102 Ca -0.01 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 2c4y h GLU 102 Cb 1.16 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2c4y h GLU 102 CO 0.10 0.44 -0.11 1.25 -1.00 0.00 0.00 179.01 179.69 2c4y h LEU 103 N 0.31 0.82 -0.37 1.33 5.85 -1.23 -1.59 115.31 120.43 2c4y h LEU 103 Ca 0.06 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 2c4y h LEU 103 Cb 0.38 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2c4y h LEU 103 CO 0.02 0.95 -0.13 0.40 -0.34 0.00 0.00 178.44 179.34 2c4y h ILE 104 N 0.75 1.28 -0.51 4.05 2.04 -1.24 -2.13 117.51 121.75 2c4y h ILE 104 Ca 0.12 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 2c4y h ILE 104 Cb 0.61 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2c4y h ILE 104 CO 0.04 0.40 0.28 0.58 0.00 0.00 0.00 178.15 179.45 2c4y h VAL 105 N 0.53 1.18 -0.48 1.67 2.07 -1.17 -2.13 116.25 117.92 2c4y h VAL 105 Ca 0.09 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 2c4y h VAL 105 Cb 0.65 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2c4y h VAL 105 CO 0.04 0.19 0.15 0.11 0.02 0.00 0.00 177.57 178.08 2c4y h LYS 106 N 0.68 0.70 -0.59 1.57 1.57 -1.23 -1.67 116.57 117.60 2c4y h LYS 106 Ca 0.18 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2c4y h LYS 106 Cb 0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2c4y h LYS 106 CO -0.03 0.61 0.18 0.00 -0.57 0.00 0.00 179.45 179.64 2c4y h ALA 107 N 1.48 0.78 -0.10 3.86 0.00 -0.94 -0.25 119.26 124.08 2c4y h ALA 107 Ca 0.16 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2c4y h ALA 107 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2c4y h ALA 107 CO -0.01 0.45 -0.38 0.52 0.00 0.00 0.00 179.25 179.84 2c4y h MET 108 N 0.84 0.22 -0.11 0.00 2.86 -0.96 -0.86 114.93 116.92 2c4y h MET 108 Ca 0.19 -0.10 -0.24 0.00 -2.06 0.00 0.00 59.70 57.50 2c4y h MET 108 Cb 0.30 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.97 2c4y h MET 108 CO -0.00 0.57 -0.86 1.96 1.06 0.00 0.00 176.91 179.64 2c4y h GLN 109 N 0.19 0.77 -0.09 1.72 4.20 -0.98 -3.08 115.11 117.83 2c4y h GLN 109 Ca 0.02 -0.68 -0.11 0.00 0.06 0.00 0.00 58.65 57.94 2c4y h GLN 109 Cb 0.76 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 2c4y h GLN 109 CO 0.06 1.28 -0.42 0.78 -0.67 0.00 0.00 178.83 179.85 2c4y h GLY 110 N 0.50 0.21 1.01 3.46 0.00 -0.89 -2.50 103.07 104.85 2c4y h GLY 110 Ca -0.08 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.06 2c4y h GLY 110 CO 0.17 0.19 0.57 -2.00 0.00 0.00 0.00 176.54 175.47 2c4y h LEU 111 N 0.16 1.00 -2.31 3.11 5.85 -1.12 -3.05 115.31 118.95 2c4y h LEU 111 Ca 0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2c4y h LEU 111 Cb 0.82 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2c4y h LEU 111 CO 0.06 0.73 0.00 0.18 -0.34 0.00 0.00 178.44 179.07 2c4y n LEU 112 N -4.48 3.42 -4.76 2.25 4.77 -1.13 -4.41 117.00 112.66 2c4y n LEU 112 Ca 0.09 -1.54 -0.41 0.00 -0.03 0.00 0.00 56.01 54.12 2c4y n LEU 112 Cb 0.02 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 2c4y n LEU 112 CO 0.37 0.77 1.06 -0.75 -1.33 0.00 0.00 177.39 177.51 2c4y s LYS 113 N -1.41 4.27 0.14 3.23 2.20 -0.96 -4.80 119.74 122.42 2c4y s LYS 113 Ca 0.40 2.33 -0.34 0.00 -0.36 0.00 0.00 55.97 58.01 2c4y s LYS 113 Cb 0.23 -3.06 -0.16 0.00 -1.51 0.00 0.00 37.83 33.33 2c4y s LYS 113 CO 0.31 -0.36 1.20 -0.25 -0.36 0.00 0.00 175.35 175.90 2c4y n ASP 114 N 1.33 1.37 0.00 1.43 8.00 -1.26 -1.60 116.55 125.81 2c4y n ASP 114 Ca 0.03 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.66 2c4y n ASP 114 Cb 0.41 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 2c4y n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c4y n GLY 115 N 2.15 3.34 3.83 0.44 0.00 -1.26 -5.05 105.19 108.65 2c4y n GLY 115 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.87 6.05 0.05 1.61 0.01 -0.63 -4.89 114.94 116.27 2c4y s ASN 116 Ca 0.00 1.60 -0.10 0.00 -0.71 0.00 0.00 52.86 53.66 2c4y s ASN 116 Cb 0.00 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 39.14 2c4y s ASN 116 CO 0.00 -0.99 1.04 -2.65 -1.51 0.00 0.00 177.10 172.99 2c4y n PRO 117 N -2.32 -0.14 0.20 -0.60 -0.02 -1.26 -2.35 135.00 128.51 2c4y n PRO 117 Ca 0.07 1.03 -0.15 0.00 -2.02 0.00 0.00 63.50 62.44 2c4y n PRO 117 Cb 0.54 -1.53 -0.07 0.00 -0.02 0.00 0.00 33.50 32.41 2c4y n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2c4y h ILE 118 N 0.00 0.48 0.00 4.25 2.04 -1.94 -1.17 117.51 121.17 2c4y h ILE 118 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2c4y h ILE 118 Cb 0.13 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2c4y h ILE 118 CO -0.30 0.00 -0.05 1.55 0.00 0.00 0.00 178.15 179.36 2c4y h PRO 119 N -0.56 0.00 -0.32 2.37 0.13 -1.76 -1.69 132.00 130.17 2c4y h PRO 119 Ca -0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.03 2c4y h PRO 119 Cb 0.49 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2c4y h PRO 119 CO -0.01 0.05 -0.11 0.77 -0.23 0.00 0.00 178.00 178.46 2c4y h SER 120 N 0.00 0.65 0.06 1.44 0.02 -1.02 -2.02 113.55 112.68 2c4y h SER 120 Ca -0.00 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2c4y h SER 120 Cb 0.11 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2c4y h SER 120 CO 0.01 0.89 -0.03 0.00 -1.14 0.00 0.00 176.83 176.56 2c4y h ALA 121 N 0.79 -0.08 -0.43 3.77 0.00 -0.61 -2.65 119.26 120.05 2c4y h ALA 121 Ca 0.08 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2c4y h ALA 121 Cb 0.62 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2c4y h ALA 121 CO 0.04 -0.40 0.01 0.82 0.00 0.00 0.00 179.25 179.72 2c4y h ILE 122 N -0.36 0.68 0.00 0.00 2.04 -1.33 -1.47 117.51 117.07 2c4y h ILE 122 Ca -0.01 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2c4y h ILE 122 Cb 0.32 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2c4y h ILE 122 CO 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 178.15 178.16 2c4y h ALA 123 N 1.37 1.03 -0.51 1.87 0.00 -1.36 -2.59 119.26 119.08 2c4y h ALA 123 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2c4y h ALA 123 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2c4y h ALA 123 CO -0.34 0.04 0.00 0.00 0.00 0.00 0.00 179.25 178.94 2c4y n ALA 124 N -2.12 2.37 -3.63 0.00 0.00 -0.63 -4.96 120.51 111.55 2c4y n ALA 124 Ca -0.01 -1.12 -0.25 0.00 0.00 0.00 0.00 53.44 52.06 2c4y n ALA 124 Cb 0.25 -0.81 0.07 0.00 0.00 0.00 0.00 19.45 18.96 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 1.40 -6.08 -3.67 0.00 3.02 -0.84 -4.99 115.26 104.10 2c4y n ASN 125 Ca 0.20 -0.57 -0.23 0.00 -0.03 0.00 0.00 54.58 53.94 2c4y n ASN 125 Cb 0.58 -4.80 -0.08 0.00 -0.61 0.00 0.00 39.78 34.87 2c4y n ASN 125 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2c4y n SER 126 N -2.95 0.47 -1.49 6.41 3.41 -0.76 -5.05 113.62 113.66 2c4y n SER 126 Ca 0.01 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.40 2c4y n SER 126 Cb 0.56 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.81 2c4y n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c4y n GLY 127 N -0.79 2.05 3.77 5.00 0.00 -1.26 -4.32 105.19 109.64 2c4y n GLY 127 Ca -0.01 -2.11 -0.36 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 1.19 5.42 0.00 -0.61 -1.09 -1.26 -4.81 121.20 120.03 2c4y s ILE 128 Ca 0.00 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 2c4y s ILE 128 Cb 0.00 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 2c4y s ILE 128 CO 0.00 0.48 0.00 0.00 -1.23 0.00 0.00 174.94 174.19