#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4y s SER 2 N 0.00 -0.42 0.00 0.00 0.15 -1.26 -5.02 113.70 107.15 2c4y s SER 2 Ca 0.00 0.76 0.10 0.00 0.70 0.00 0.00 55.95 57.51 2c4y s SER 2 Cb 0.00 0.90 0.08 0.00 -1.71 0.00 0.00 66.02 65.30 2c4y s SER 2 CO 0.00 -0.13 0.82 -0.46 1.20 0.00 0.00 173.24 174.67 2c4y n ASN 3 N 2.62 1.84 -3.46 5.45 6.94 -1.26 -4.63 115.26 122.77 2c4y n ASN 3 Ca -0.14 -1.42 -0.40 0.00 -0.02 0.00 0.00 54.58 52.60 2c4y n ASN 3 Cb 0.56 -0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 37.96 2c4y n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2c4y n PHE 4 N 0.53 2.59 -4.42 -2.53 7.35 -1.26 -4.88 117.46 114.83 2c4y n PHE 4 Ca 0.06 -2.91 -0.29 0.00 -0.76 0.00 0.00 57.45 53.54 2c4y n PHE 4 Cb 0.25 -2.07 -0.06 0.00 0.35 0.00 0.00 39.48 37.94 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 0.09 1.61 0.45 -2.13 -4.23 -1.26 -4.78 115.64 105.39 2c4y s THR 5 Ca 0.58 -1.82 -0.22 0.00 -1.18 0.00 0.00 61.69 59.05 2c4y s THR 5 Cb 0.18 -2.44 -0.08 0.00 1.34 0.00 0.00 72.50 71.50 2c4y s THR 5 CO -0.08 0.00 1.07 -1.58 -0.54 0.00 0.00 174.62 173.49 2c4y s GLN 6 N -3.95 3.90 0.16 3.99 0.74 -1.26 -4.53 119.66 118.71 2c4y s GLN 6 Ca 0.23 1.49 -0.23 0.00 0.05 0.00 0.00 55.36 56.90 2c4y s GLN 6 Cb 0.02 -2.29 0.07 0.00 1.10 0.00 0.00 33.01 31.91 2c4y s GLN 6 CO 0.13 -0.37 0.60 -0.59 -0.55 0.00 0.00 175.29 174.51 2c4y s PHE 7 N -1.79 -0.53 -0.29 1.67 -0.12 -0.70 -5.01 117.98 111.21 2c4y s PHE 7 Ca 0.64 0.32 -0.28 0.00 -0.05 0.00 0.00 56.93 57.56 2c4y s PHE 7 Cb -0.21 0.56 0.01 0.00 -0.63 0.00 0.00 43.02 42.76 2c4y s PHE 7 CO 0.25 -0.86 0.99 0.08 -0.05 0.00 0.00 175.22 175.63 2c4y s VAL 8 N -3.75 4.64 -0.16 -2.49 1.01 -1.26 -1.25 120.40 117.13 2c4y s VAL 8 Ca 0.01 1.69 -0.20 0.00 0.00 0.00 0.00 61.98 63.48 2c4y s VAL 8 Cb -0.01 -4.31 -0.23 0.00 0.00 0.00 0.00 36.38 31.83 2c4y s VAL 8 CO -0.13 -0.32 0.40 0.25 0.00 0.00 0.00 175.10 175.30 2c4y h LEU 9 N 9.72 0.13 -8.29 3.92 5.85 -1.18 -3.45 115.31 122.02 2c4y h LEU 9 Ca -0.21 -0.71 -0.67 0.00 0.84 0.00 0.00 57.88 57.13 2c4y h LEU 9 Cb 1.07 -0.04 -0.32 0.00 0.37 0.00 0.00 40.66 41.74 2c4y h LEU 9 CO 0.98 1.48 -0.83 -0.69 -0.34 0.00 0.00 178.44 179.04 2c4y s VAL 10 N -2.39 2.43 -0.30 1.05 1.01 -1.04 -4.99 120.40 116.17 2c4y s VAL 10 Ca -0.25 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 60.79 2c4y s VAL 10 Cb 0.04 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2c4y s VAL 10 CO 0.67 0.53 0.14 -0.62 0.00 0.00 0.00 175.10 175.81 2c4y s ASP 11 N 0.88 5.51 -0.62 3.32 -1.08 -1.26 -0.78 116.67 122.64 2c4y s ASP 11 Ca -0.05 -0.43 0.06 0.00 -0.52 0.00 0.00 52.55 51.61 2c4y s ASP 11 Cb -0.15 -2.00 0.23 0.00 -1.46 0.00 0.00 42.92 39.55 2c4y s ASP 11 CO -0.02 -0.16 0.67 0.59 0.52 0.00 0.00 175.17 176.77 2c4y n ASN 12 N 4.98 3.12 0.00 -0.34 3.02 -1.26 -5.00 115.26 119.77 2c4y n ASN 12 Ca -0.14 -3.29 0.00 0.00 -0.03 0.00 0.00 54.58 51.12 2c4y n ASN 12 Cb 0.50 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 1.16 4.15 0.00 7.41 0.00 -1.26 -1.96 105.19 114.69 2c4y n GLY 13 Ca 0.27 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 0.76 3.21 -0.02 0.00 -1.26 -4.90 105.19 102.99 2c4y n GLY 14 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.24 2.04 0.00 2.61 -4.23 -0.83 -4.43 115.64 109.56 2c4y s THR 15 Ca 0.00 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 2c4y s THR 15 Cb 0.01 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.08 2c4y s THR 15 CO 0.03 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 2c4y n GLY 16 N 3.61 0.58 3.73 3.99 0.00 -1.26 -4.68 105.19 111.15 2c4y n GLY 16 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2c4y n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c4y n ASP 17 N 0.00 3.55 -4.55 1.61 9.92 -1.26 -4.72 116.55 121.11 2c4y n ASP 17 Ca 0.00 1.15 -0.40 0.00 -0.53 0.00 0.00 54.79 55.01 2c4y n ASP 17 Cb 0.00 -1.55 -0.10 0.00 -0.64 0.00 0.00 41.12 38.83 2c4y n ASP 17 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2c4y s VAL 18 N -0.09 5.20 -0.10 2.53 1.01 0.04 -4.98 120.40 124.00 2c4y s VAL 18 Ca 0.64 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.65 2c4y s VAL 18 Cb -0.53 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2c4y s VAL 18 CO 0.50 -0.03 -0.02 -0.89 0.00 0.00 0.00 175.10 174.66 2c4y s THR 19 N 1.95 4.13 -0.09 3.92 2.01 -1.26 -0.54 115.64 125.76 2c4y s THR 19 Ca 0.11 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.82 2c4y s THR 19 Cb -0.17 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 2c4y s THR 19 CO 0.11 0.57 -0.15 0.54 -0.69 0.00 0.00 174.62 175.01 2c4y s VAL 20 N -0.51 2.99 0.16 3.82 0.11 -0.38 -4.20 120.40 122.39 2c4y s VAL 20 Ca 0.08 -0.72 0.11 0.00 -2.93 0.00 0.00 61.98 58.52 2c4y s VAL 20 Cb -0.12 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.49 2c4y s VAL 20 CO 0.02 0.56 -0.25 0.00 -3.33 0.00 0.00 175.10 172.10 2c4y s ALA 21 N -0.21 2.42 0.46 1.54 0.00 0.04 -1.72 121.76 124.31 2c4y s ALA 21 Ca 0.00 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.18 2c4y s ALA 21 Cb -0.13 -0.34 -0.09 0.00 0.00 0.00 0.00 23.12 22.56 2c4y s ALA 21 CO 0.03 0.46 1.02 -2.30 0.00 0.00 0.00 175.76 174.98 2c4y n PRO 22 N 0.56 1.31 0.00 0.00 -0.02 -1.26 -0.82 135.00 134.77 2c4y n PRO 22 Ca -0.15 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2c4y n PRO 22 Cb 0.55 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.20 0.29 -3.56 2.55 3.41 -0.08 -4.76 113.62 111.67 2c4y n SER 23 Ca 0.10 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.54 2c4y n SER 23 Cb 0.41 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.07 -0.61 -0.37 4.04 3.04 -1.19 -5.02 114.94 112.76 2c4y s ASN 24 Ca 0.00 0.72 0.13 0.00 0.04 0.00 0.00 52.86 53.75 2c4y s ASN 24 Cb 0.00 0.61 0.39 0.00 -1.54 0.00 0.00 41.25 40.70 2c4y s ASN 24 CO 0.00 -0.55 0.89 0.33 -3.04 0.00 0.00 177.10 174.73 2c4y n PHE 25 N 1.16 -0.05 -3.51 0.43 -0.00 -1.26 -0.36 117.46 113.87 2c4y n PHE 25 Ca -0.19 -3.16 -0.37 0.00 -0.00 0.00 0.00 57.45 53.74 2c4y n PHE 25 Cb 0.57 -0.02 -0.06 0.00 -0.00 0.00 0.00 39.48 39.96 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 -2.15 3.70 -1.41 3.13 0.00 -1.19 -4.43 121.76 119.41 2c4y s ALA 26 Ca 0.32 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.97 2c4y s ALA 26 Cb 0.38 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 21.17 2c4y s ALA 26 CO -0.04 0.50 0.88 0.09 0.00 0.00 0.00 175.76 177.19 2c4y n ASN 27 N 1.57 -3.29 -0.81 0.00 5.03 -1.26 -1.84 115.26 114.67 2c4y n ASN 27 Ca -0.12 -0.77 -0.11 0.00 0.87 0.00 0.00 54.58 54.45 2c4y n ASN 27 Cb 0.52 -4.12 -0.05 0.00 -1.02 0.00 0.00 39.78 35.12 2c4y n ASN 27 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2c4y n GLY 28 N -1.65 1.09 3.12 7.41 0.00 -1.26 -4.97 105.19 108.93 2c4y n GLY 28 Ca -0.12 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.10 2.44 0.21 1.61 1.01 -0.77 -4.49 120.40 118.32 2c4y s VAL 29 Ca 0.00 -1.41 -0.26 0.00 0.00 0.00 0.00 61.98 60.31 2c4y s VAL 29 Cb 0.00 -2.35 -0.08 0.00 0.00 0.00 0.00 36.38 33.95 2c4y s VAL 29 CO 0.00 0.06 0.83 0.00 0.00 0.00 0.00 175.10 175.99 2c4y s ALA 30 N 1.19 3.39 -0.01 5.51 0.00 -0.17 -3.15 121.76 128.52 2c4y s ALA 30 Ca -0.05 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.35 2c4y s ALA 30 Cb -0.19 -3.03 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 2c4y s ALA 30 CO -0.05 0.26 -0.07 -2.00 0.00 0.00 0.00 175.76 173.90 2c4y s GLU 31 N -1.36 0.63 -0.01 0.00 2.12 0.52 -1.30 118.70 119.29 2c4y s GLU 31 Ca 0.40 -0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.52 2c4y s GLU 31 Cb -0.23 -0.61 -0.01 0.00 0.26 0.00 0.00 34.13 33.54 2c4y s GLU 31 CO 0.27 0.14 -0.18 -1.58 -0.54 0.00 0.00 175.26 173.37 2c4y s TRP 32 N -0.10 1.61 0.03 5.30 0.51 0.38 -0.90 118.94 125.77 2c4y s TRP 32 Ca 0.02 -0.30 0.02 0.00 -2.12 0.00 0.00 56.10 53.72 2c4y s TRP 32 Cb -0.04 -1.04 -0.02 0.00 -0.81 0.00 0.00 33.47 31.57 2c4y s TRP 32 CO -0.00 -0.03 -0.08 0.42 -0.51 0.00 0.00 176.95 176.75 2c4y s ILE 33 N -0.42 0.56 0.67 2.03 -1.09 0.00 -1.40 121.20 121.55 2c4y s ILE 33 Ca 0.07 -0.86 -0.09 0.00 -2.23 0.00 0.00 60.65 57.53 2c4y s ILE 33 Cb -0.07 -0.58 0.01 0.00 -1.58 0.00 0.00 42.46 40.24 2c4y s ILE 33 CO -0.01 -0.23 1.03 -0.94 -1.23 0.00 0.00 174.94 173.57 2c4y s SER 34 N -1.19 5.47 0.91 3.58 1.04 -0.77 -0.78 113.70 121.98 2c4y s SER 34 Ca -0.06 0.97 -0.12 0.00 0.48 0.00 0.00 55.95 57.22 2c4y s SER 34 Cb -0.08 -1.83 0.14 0.00 0.10 0.00 0.00 66.02 64.35 2c4y s SER 34 CO 0.00 -1.26 1.14 -0.55 0.98 0.00 0.00 173.24 173.56 2c4y s SER 35 N -4.35 3.48 0.15 7.02 0.15 -1.26 -4.70 113.70 114.19 2c4y s SER 35 Ca 0.57 0.94 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2c4y s SER 35 Cb -0.11 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2c4y s SER 35 CO 0.49 -2.57 0.00 0.59 1.20 0.00 0.00 173.24 172.95 2c4y n ASN 36 N -3.77 -0.86 -3.74 5.45 3.02 -1.26 -4.81 115.26 109.29 2c4y n ASN 36 Ca 0.07 0.00 -0.53 0.00 -0.03 0.00 0.00 54.58 54.08 2c4y n ASN 36 Cb 0.59 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.68 2c4y n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2c4y n SER 37 N 0.32 0.93 0.14 6.41 7.64 -1.26 -4.77 113.62 123.03 2c4y n SER 37 Ca 0.00 0.94 0.13 0.00 1.01 0.00 0.00 58.87 60.94 2c4y n SER 37 Cb 0.00 -0.69 0.65 0.00 -1.01 0.00 0.00 64.21 63.15 2c4y n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2c4y h ARG 38 N 3.90 0.03 0.00 1.43 9.65 -1.90 -0.83 114.38 126.65 2c4y h ARG 38 Ca -0.35 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.49 2c4y h ARG 38 Cb 1.08 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.65 2c4y h ARG 38 CO 0.77 0.02 -0.18 0.66 2.80 0.00 0.00 179.97 184.03 2c4y h SER 39 N 0.03 0.00 -0.29 -3.80 4.64 -1.87 -2.83 113.55 109.44 2c4y h SER 39 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2c4y h SER 39 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2c4y h SER 39 CO -0.00 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.13 2c4y n GLN 40 N -3.78 2.89 -2.39 4.77 6.02 -0.37 -3.77 117.38 120.75 2c4y n GLN 40 Ca -0.02 -1.99 -0.31 0.00 -0.01 0.00 0.00 57.00 54.67 2c4y n GLN 40 Cb 0.28 -1.24 -0.02 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.07 3.16 0.23 -1.58 0.00 -0.88 -4.83 121.76 116.79 2c4y s ALA 41 Ca 0.20 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 2c4y s ALA 41 Cb 0.11 -2.98 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 2c4y s ALA 41 CO 0.13 -0.30 0.69 0.71 0.00 0.00 0.00 175.76 176.98 2c4y s TYR 42 N -2.71 3.58 -0.01 0.00 1.51 -1.26 -4.63 117.35 113.84 2c4y s TYR 42 Ca 0.55 1.28 0.03 0.00 -1.01 0.00 0.00 57.07 57.92 2c4y s TYR 42 Cb -0.10 -2.54 -0.01 0.00 -0.11 0.00 0.00 41.96 39.20 2c4y s TYR 42 CO 0.38 0.31 -0.11 0.21 -1.11 0.00 0.00 175.55 175.23 2c4y s LYS 43 N -2.18 0.84 -0.02 -0.62 2.20 -1.14 -1.84 119.74 116.98 2c4y s LYS 43 Ca 0.44 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 2c4y s LYS 43 Cb -0.15 -0.81 0.02 0.00 -1.51 0.00 0.00 37.83 35.37 2c4y s LYS 43 CO 0.20 0.22 -0.01 0.08 -0.36 0.00 0.00 175.35 175.48 2c4y s VAL 44 N -0.28 0.21 0.08 4.02 1.01 -0.50 -0.88 120.40 124.07 2c4y s VAL 44 Ca 0.04 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.08 2c4y s VAL 44 Cb -0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 2c4y s VAL 44 CO -0.00 0.13 -0.12 0.42 0.00 0.00 0.00 175.10 175.53 2c4y s THR 45 N 0.72 0.99 -0.08 3.92 -4.23 -0.21 -0.47 115.64 116.29 2c4y s THR 45 Ca -0.07 -1.41 -0.17 0.00 -1.18 0.00 0.00 61.69 58.85 2c4y s THR 45 Cb -0.11 -1.13 0.04 0.00 1.34 0.00 0.00 72.50 72.64 2c4y s THR 45 CO -0.01 -0.37 0.42 0.00 -0.54 0.00 0.00 174.62 174.11 2c4y s SER 47 N -0.71 -0.58 0.07 0.00 1.04 -0.98 -0.99 113.70 111.55 2c4y s SER 47 Ca -0.08 0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.69 2c4y s SER 47 Cb -0.04 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 2c4y s SER 47 CO 0.04 -0.79 -0.15 -0.69 0.98 0.00 0.00 173.24 172.63 2c4y s VAL 48 N -2.66 1.18 0.10 5.02 1.01 -1.26 -1.48 120.40 122.31 2c4y s VAL 48 Ca -0.03 -1.31 -0.22 0.00 0.00 0.00 0.00 61.98 60.42 2c4y s VAL 48 Cb -0.01 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.31 2c4y s VAL 48 CO -0.04 -0.19 0.55 0.00 0.00 0.00 0.00 175.10 175.43 2c4y s ARG 49 N -1.71 1.14 -0.85 2.72 1.70 -1.03 -4.97 118.95 115.96 2c4y s ARG 49 Ca -0.01 -0.37 -0.24 0.00 -0.47 0.00 0.00 55.73 54.65 2c4y s ARG 49 Cb -0.10 0.52 0.06 0.00 -0.57 0.00 0.00 34.95 34.86 2c4y s ARG 49 CO 0.02 -0.45 1.27 -1.14 -1.08 0.00 0.00 175.30 173.92 2c4y s GLN 50 N -3.10 3.37 0.39 3.89 2.00 -1.26 -0.10 119.66 124.84 2c4y s GLN 50 Ca -0.02 -0.83 0.09 0.00 -2.00 0.00 0.00 55.36 52.60 2c4y s GLN 50 Cb -0.00 -4.69 0.78 0.00 0.80 0.00 0.00 33.01 29.90 2c4y s GLN 50 CO -0.07 -2.07 1.92 0.66 -0.50 0.00 0.00 175.29 175.23 2c4y h SER 51 N 9.72 0.24 -2.26 6.67 4.64 -1.35 -3.46 113.55 127.75 2c4y h SER 51 Ca -0.06 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.16 2c4y h SER 51 Cb 1.04 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2c4y h SER 51 CO 1.29 0.39 0.09 -1.54 -0.87 0.00 0.00 176.83 176.19 2c4y n SER 52 N -4.28 -1.12 -0.27 4.97 3.41 -1.07 -4.97 113.62 110.30 2c4y n SER 52 Ca -0.01 -1.90 0.01 0.00 -0.26 0.00 0.00 58.87 56.71 2c4y n SER 52 Cb 0.26 1.89 0.13 0.00 -0.26 0.00 0.00 64.21 66.24 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 1.94 1.05 -0.01 7.33 0.00 -2.03 -3.03 119.26 124.51 2c4y h ALA 53 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2c4y h ALA 53 Cb 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2c4y h ALA 53 CO 0.22 0.10 -0.74 1.04 0.00 0.00 0.00 179.25 179.87 2c4y n GLN 54 N -4.75 0.78 -4.56 0.00 6.02 -1.26 -4.95 117.38 108.66 2c4y n GLN 54 Ca 0.11 -0.39 -0.29 0.00 -0.01 0.00 0.00 57.00 56.42 2c4y n GLN 54 Cb 0.22 -1.44 -0.14 0.00 1.02 0.00 0.00 30.24 29.90 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 -2.67 3.21 0.03 1.08 0.01 -1.15 -0.65 114.94 114.80 2c4y s ASN 55 Ca 0.12 -0.69 0.06 0.00 -0.71 0.00 0.00 52.86 51.64 2c4y s ASN 55 Cb 0.16 -0.24 -0.03 0.00 0.41 0.00 0.00 41.25 41.55 2c4y s ASN 55 CO 0.71 0.20 -0.16 -0.13 -1.51 0.00 0.00 177.10 176.21 2c4y s ARG 56 N -1.76 2.19 -0.07 -0.60 0.52 -0.81 -0.94 118.95 117.48 2c4y s ARG 56 Ca 0.13 -0.92 -0.01 0.00 -0.52 0.00 0.00 55.73 54.41 2c4y s ARG 56 Cb -0.10 -2.26 0.03 0.00 0.52 0.00 0.00 34.95 33.14 2c4y s ARG 56 CO 0.04 0.55 -0.02 0.21 0.02 0.00 0.00 175.30 176.11 2c4y s LYS 57 N -1.41 0.74 0.03 3.54 2.20 0.86 -1.38 119.74 124.32 2c4y s LYS 57 Ca 0.15 0.02 -0.17 0.00 -0.36 0.00 0.00 55.97 55.61 2c4y s LYS 57 Cb -0.11 -0.99 -0.06 0.00 -1.51 0.00 0.00 37.83 35.16 2c4y s LYS 57 CO 0.06 -0.25 0.49 0.71 -0.36 0.00 0.00 175.35 176.00 2c4y s TYR 58 N 1.69 3.76 -0.20 4.03 1.51 0.31 -2.47 117.35 125.98 2c4y s TYR 58 Ca 0.01 1.12 0.00 0.00 -1.01 0.00 0.00 57.07 57.20 2c4y s TYR 58 Cb -0.13 -2.40 0.05 0.00 -0.11 0.00 0.00 41.96 39.37 2c4y s TYR 58 CO -0.04 0.60 -0.07 0.99 -1.11 0.00 0.00 175.55 175.92 2c4y s THR 59 N -1.02 1.43 -0.03 -0.71 2.01 -0.55 -1.02 115.64 115.75 2c4y s THR 59 Ca 0.26 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.36 2c4y s THR 59 Cb -0.18 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 2c4y s THR 59 CO 0.16 0.06 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.28 2c4y s ILE 60 N 1.47 2.23 -0.01 1.82 1.01 0.23 -2.30 121.20 125.65 2c4y s ILE 60 Ca -0.02 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.61 2c4y s ILE 60 Cb -0.17 -1.79 -0.00 0.00 0.01 0.00 0.00 42.46 40.51 2c4y s ILE 60 CO -0.07 0.58 -0.04 -0.54 0.00 0.00 0.00 174.94 174.86 2c4y s LYS 61 N -0.53 0.37 0.03 2.79 1.02 -0.59 -0.96 119.74 121.88 2c4y s LYS 61 Ca 0.07 -0.15 0.04 0.00 0.02 0.00 0.00 55.97 55.95 2c4y s LYS 61 Cb -0.11 -0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 36.81 2c4y s LYS 61 CO 0.00 0.08 -0.11 0.08 -0.92 0.00 0.00 175.35 174.48 2c4y s VAL 62 N -0.03 0.85 -0.12 3.17 1.01 -0.73 -1.04 120.40 123.51 2c4y s VAL 62 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2c4y s VAL 62 Cb -0.03 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.59 2c4y s VAL 62 CO -0.00 -0.01 -0.11 -1.61 0.00 0.00 0.00 175.10 173.37 2c4y s GLU 63 N -0.92 1.86 -0.26 2.72 2.02 -0.06 -0.86 118.70 123.19 2c4y s GLU 63 Ca -0.00 -0.39 -0.06 0.00 0.02 0.00 0.00 54.97 54.54 2c4y s GLU 63 Cb -0.07 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.39 2c4y s GLU 63 CO 0.01 -0.22 0.03 0.08 0.02 0.00 0.00 175.26 175.18 2c4y s VAL 64 N 1.52 3.76 0.31 2.63 1.01 -0.62 -2.87 120.40 126.14 2c4y s VAL 64 Ca 0.03 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 2c4y s VAL 64 Cb -0.13 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 2c4y s VAL 64 CO -0.08 0.21 0.58 -2.16 0.00 0.00 0.00 175.10 173.65 2c4y s PRO 65 N 1.49 3.62 -0.57 2.72 0.04 -1.26 -0.49 135.00 140.55 2c4y s PRO 65 Ca 0.04 0.01 -0.08 0.00 0.04 0.00 0.00 61.00 61.00 2c4y s PRO 65 Cb -0.16 -2.62 0.15 0.00 0.04 0.00 0.00 34.50 31.91 2c4y s PRO 65 CO 0.01 0.17 0.44 0.21 0.04 0.00 0.00 177.00 177.87 2c4y s LYS 66 N -3.71 2.68 0.13 4.56 2.47 -0.43 -4.97 119.74 120.47 2c4y s LYS 66 Ca 0.44 -2.09 -0.31 0.00 -1.56 0.00 0.00 55.97 52.45 2c4y s LYS 66 Cb -0.11 -3.96 -0.11 0.00 -1.46 0.00 0.00 37.83 32.20 2c4y s LYS 66 CO 0.31 -1.20 1.82 0.28 0.16 0.00 0.00 175.35 176.72 2c4y n VAL 67 N 4.37 0.33 -3.95 4.02 0.31 -1.26 -0.19 118.33 121.97 2c4y n VAL 67 Ca 0.00 -0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.18 2c4y n VAL 67 Cb 0.41 -2.09 -0.05 0.00 -0.91 0.00 0.00 33.84 31.20 2c4y n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c4y s ALA 68 N 2.59 -0.32 -0.17 3.52 0.00 -0.90 -4.81 121.76 121.67 2c4y s ALA 68 Ca 0.82 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 2c4y s ALA 68 Cb -0.49 1.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 2c4y s ALA 68 CO 0.37 -0.81 -0.07 0.99 0.00 0.00 0.00 175.76 176.24 2c4y s THR 69 N -3.99 3.42 -0.22 0.00 2.01 -1.26 -1.55 115.64 114.05 2c4y s THR 69 Ca 0.19 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.58 2c4y s THR 69 Cb -0.00 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 2c4y s THR 69 CO 0.06 0.48 0.15 -1.58 -0.69 0.00 0.00 174.62 173.03 2c4y s GLN 70 N 0.78 4.12 -0.14 4.92 0.74 0.29 -4.93 119.66 125.43 2c4y s GLN 70 Ca -0.03 -0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.15 2c4y s GLN 70 Cb -0.15 -3.49 0.00 0.00 1.10 0.00 0.00 33.01 30.47 2c4y s GLN 70 CO 0.02 0.15 -0.19 0.99 -0.55 0.00 0.00 175.29 175.71 2c4y s THR 71 N 0.79 2.37 -0.10 -0.34 2.01 -1.26 -0.24 115.64 118.87 2c4y s THR 71 Ca 0.08 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 2c4y s THR 71 Cb -0.13 -1.97 0.05 0.00 0.01 0.00 0.00 72.50 70.46 2c4y s THR 71 CO 0.02 0.53 0.20 -0.69 -0.69 0.00 0.00 174.62 173.99 2c4y s VAL 72 N 0.78 -0.29 -1.43 3.82 1.01 -0.14 -4.81 120.40 119.34 2c4y s VAL 72 Ca -0.07 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2c4y s VAL 72 Cb -0.16 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2c4y s VAL 72 CO -0.00 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2c4y n GLY 73 N 5.20 1.14 2.35 4.51 0.00 -1.26 -1.31 105.19 115.82 2c4y n GLY 73 Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.22 1.15 3.60 -0.02 0.00 -1.26 -5.01 105.19 102.43 2c4y n GLY 74 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.43 5.23 -0.14 1.61 1.01 -0.43 -5.07 120.40 119.19 2c4y s VAL 75 Ca 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 2c4y s VAL 75 Cb 0.00 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2c4y s VAL 75 CO 0.00 0.19 -0.03 -1.83 0.00 0.00 0.00 175.10 173.43 2c4y s GLU 76 N 1.94 3.51 0.11 2.72 -1.05 -1.26 -0.97 118.70 123.70 2c4y s GLU 76 Ca 0.12 -0.50 0.10 0.00 -0.15 0.00 0.00 54.97 54.54 2c4y s GLU 76 Cb -0.16 -2.88 -0.04 0.00 -0.44 0.00 0.00 34.13 30.62 2c4y s GLU 76 CO 0.10 0.35 -0.26 -0.51 0.95 0.00 0.00 175.26 175.89 2c4y s LEU 77 N 0.08 2.28 -0.19 1.83 1.43 0.67 -4.94 118.68 119.85 2c4y s LEU 77 Ca -0.00 -0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 52.11 2c4y s LEU 77 Cb -0.13 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.92 2c4y s LEU 77 CO 0.03 0.17 1.03 -2.84 0.23 0.00 0.00 176.35 174.97 2c4y s PRO 78 N -1.85 4.31 0.11 1.29 0.02 -1.26 -0.55 135.00 137.06 2c4y s PRO 78 Ca 0.12 1.37 0.02 0.00 0.02 0.00 0.00 61.00 62.53 2c4y s PRO 78 Cb -0.10 -3.61 -0.01 0.00 0.02 0.00 0.00 34.50 30.80 2c4y s PRO 78 CO 0.05 -0.54 0.08 1.33 -0.33 0.00 0.00 177.00 177.59 2c4y n VAL 79 N 5.10 0.00 -4.09 3.83 0.24 -0.60 -4.69 118.33 118.12 2c4y n VAL 79 Ca 0.11 -0.77 -0.33 0.00 -2.04 0.00 0.00 64.34 61.31 2c4y n VAL 79 Cb 0.47 0.36 -0.16 0.00 -1.47 0.00 0.00 33.84 33.05 2c4y n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c4y s ALA 80 N -2.42 2.43 0.23 2.33 0.00 -1.25 -2.11 121.76 120.98 2c4y s ALA 80 Ca 0.12 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.81 2c4y s ALA 80 Cb 0.01 -1.28 0.35 0.00 0.00 0.00 0.00 23.12 22.19 2c4y s ALA 80 CO 0.08 -0.36 1.80 0.00 0.00 0.00 0.00 175.76 177.29 2c4y h ALA 81 N 7.96 1.07 -2.66 0.00 0.00 -0.88 -3.46 119.26 121.28 2c4y h ALA 81 Ca -0.45 0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.60 2c4y h ALA 81 Cb 1.15 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2c4y h ALA 81 CO 0.63 0.06 0.42 1.67 0.00 0.00 0.00 179.25 182.03 2c4y s TRP 82 N -6.05 -0.02 0.03 0.00 1.48 -1.26 -5.02 118.94 108.09 2c4y s TRP 82 Ca -0.13 -0.42 0.02 0.00 -1.06 0.00 0.00 56.10 54.51 2c4y s TRP 82 Cb 0.18 0.72 -0.02 0.00 -1.16 0.00 0.00 33.47 33.19 2c4y s TRP 82 CO 0.77 -1.10 -0.07 1.03 -4.06 0.00 0.00 176.95 173.52 2c4y s ARG 83 N -2.85 0.48 -0.16 3.25 0.52 -1.26 -1.31 118.95 117.61 2c4y s ARG 83 Ca 0.15 -0.57 -0.08 0.00 -0.52 0.00 0.00 55.73 54.71 2c4y s ARG 83 Cb -0.03 -0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.09 2c4y s ARG 83 CO 0.06 0.06 0.12 0.45 0.02 0.00 0.00 175.30 176.02 2c4y s SER 84 N -1.11 6.19 -0.16 0.23 0.15 0.36 -4.95 113.70 114.41 2c4y s SER 84 Ca -0.07 0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.89 2c4y s SER 84 Cb -0.07 -2.05 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 2c4y s SER 84 CO 0.00 0.28 -0.12 -0.31 1.20 0.00 0.00 173.24 174.29 2c4y s TYR 85 N -0.24 2.84 -0.16 3.44 1.51 -1.26 -1.58 117.35 121.90 2c4y s TYR 85 Ca 0.11 -0.89 -0.04 0.00 -1.01 0.00 0.00 57.07 55.23 2c4y s TYR 85 Cb -0.12 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2c4y s TYR 85 CO 0.01 -0.40 -0.02 -1.17 -1.11 0.00 0.00 175.55 172.85 2c4y s LEU 86 N 0.81 3.32 -0.22 -1.29 2.96 -0.04 -4.99 118.68 119.23 2c4y s LEU 86 Ca -0.04 -0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2c4y s LEU 86 Cb -0.15 -1.81 0.07 0.00 0.50 0.00 0.00 46.19 44.80 2c4y s LEU 86 CO 0.01 0.16 0.05 0.20 -1.32 0.00 0.00 176.35 175.45 2c4y s ASN 87 N 0.41 3.22 0.01 3.68 0.01 -1.26 -1.77 114.94 119.24 2c4y s ASN 87 Ca -0.03 -1.03 0.06 0.00 -0.71 0.00 0.00 52.86 51.15 2c4y s ASN 87 Cb -0.14 -0.67 -0.02 0.00 0.41 0.00 0.00 41.25 40.84 2c4y s ASN 87 CO 0.02 -0.33 -0.18 0.00 -1.51 0.00 0.00 177.10 175.10 2c4y s MET 88 N 1.80 1.37 -0.11 -0.60 0.23 -0.13 -5.01 119.30 116.84 2c4y s MET 88 Ca 0.01 -0.72 0.02 0.00 -1.03 0.00 0.00 55.69 53.97 2c4y s MET 88 Cb -0.17 -1.37 0.01 0.00 -1.53 0.00 0.00 34.83 31.77 2c4y s MET 88 CO -0.13 0.37 -0.18 -1.21 -2.03 0.00 0.00 175.02 171.83 2c4y s GLU 89 N -0.68 2.54 -0.19 3.16 2.02 -1.26 -0.60 118.70 123.70 2c4y s GLU 89 Ca 0.06 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.38 2c4y s GLU 89 Cb -0.07 -2.08 0.02 0.00 0.10 0.00 0.00 34.13 32.10 2c4y s GLU 89 CO 0.00 -0.01 -0.19 -1.17 0.02 0.00 0.00 175.26 173.92 2c4y s LEU 90 N 0.82 2.23 -0.20 1.80 2.96 -0.19 -4.96 118.68 121.14 2c4y s LEU 90 Ca -0.09 -0.66 -0.08 0.00 -0.22 0.00 0.00 54.13 53.08 2c4y s LEU 90 Cb -0.16 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 2c4y s LEU 90 CO 0.00 -0.01 0.08 -0.89 -1.32 0.00 0.00 176.35 174.21 2c4y s THR 91 N 1.30 4.83 -0.08 3.68 2.01 -1.26 -0.53 115.64 125.58 2c4y s THR 91 Ca 0.05 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 2c4y s THR 91 Cb -0.13 -3.20 0.03 0.00 0.01 0.00 0.00 72.50 69.20 2c4y s THR 91 CO -0.12 0.42 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.58 2c4y s ILE 92 N 0.65 0.55 0.68 1.82 1.01 -0.48 -5.00 121.20 120.43 2c4y s ILE 92 Ca 0.04 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.53 2c4y s ILE 92 Cb -0.13 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.68 2c4y s ILE 92 CO 0.01 0.29 1.27 -2.65 0.00 0.00 0.00 174.94 173.86 2c4y n PRO 93 N 5.04 0.93 0.00 2.79 -0.02 -1.26 -1.92 135.00 140.55 2c4y n PRO 93 Ca -0.09 0.38 0.09 0.00 -2.02 0.00 0.00 63.50 61.86 2c4y n PRO 93 Cb 0.50 -2.50 0.50 0.00 -0.02 0.00 0.00 33.50 31.98 2c4y n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2c4y n ILE 94 N -2.19 0.27 1.08 4.25 -5.35 0.17 -2.25 119.36 115.36 2c4y n ILE 94 Ca 0.15 0.07 0.13 0.00 -0.27 0.00 0.00 62.75 62.83 2c4y n ILE 94 Cb 0.48 -0.77 0.38 0.00 -1.74 0.00 0.00 39.64 37.99 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 -1.17 0.00 -2.18 4.28 3.72 -1.26 -4.88 117.46 115.97 2c4y n PHE 95 Ca 0.11 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.09 2c4y n PHE 95 Cb 0.11 -0.27 -0.03 0.00 -0.94 0.00 0.00 39.48 38.35 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 -2.87 3.57 0.64 4.37 0.00 -0.95 -5.02 121.76 121.49 2c4y s ALA 96 Ca 0.16 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.24 2c4y s ALA 96 Cb 0.18 -3.52 0.08 0.00 0.00 0.00 0.00 23.12 19.87 2c4y s ALA 96 CO 0.62 -0.59 0.89 0.95 0.00 0.00 0.00 175.76 177.62 2c4y s THR 97 N 0.69 2.36 0.51 0.00 -4.23 -1.26 -4.88 115.64 108.82 2c4y s THR 97 Ca 0.61 -0.65 0.15 0.00 -1.18 0.00 0.00 61.69 60.63 2c4y s THR 97 Cb -0.37 -2.71 0.27 0.00 1.34 0.00 0.00 72.50 71.03 2c4y s THR 97 CO 0.34 0.00 2.14 0.78 -0.54 0.00 0.00 174.62 177.34 2c4y h ASN 98 N -0.22 0.04 -0.22 3.99 4.21 -1.99 -0.67 115.58 120.71 2c4y h ASN 98 Ca -0.38 -0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.07 2c4y h ASN 98 Cb 1.28 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 2c4y h ASN 98 CO 0.46 0.03 -0.09 0.28 -1.29 0.00 0.00 177.43 176.81 2c4y h SER 99 N 0.05 0.47 -0.71 5.81 0.02 -1.99 -1.38 113.55 115.82 2c4y h SER 99 Ca 0.02 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 2c4y h SER 99 Cb -0.00 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 2c4y h SER 99 CO -0.00 0.77 0.43 0.44 -1.14 0.00 0.00 176.83 177.32 2c4y h ASP 100 N 0.18 0.87 -0.16 3.07 3.32 -1.60 -2.24 116.42 119.85 2c4y h ASP 100 Ca 0.05 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2c4y h ASP 100 Cb 0.58 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2c4y h ASP 100 CO 0.03 0.68 -0.39 0.00 -1.72 0.00 0.00 179.24 177.83 2c4y h GLU 102 N 0.57 0.30 -0.21 0.00 5.08 -0.84 -1.47 114.58 118.01 2c4y h GLU 102 Ca 0.05 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2c4y h GLU 102 Cb 0.93 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2c4y h GLU 102 CO 0.08 0.46 -0.07 1.25 -1.00 0.00 0.00 179.01 179.73 2c4y h LEU 103 N 0.28 0.42 -1.19 1.33 5.85 -1.12 -1.74 115.31 119.14 2c4y h LEU 103 Ca 0.05 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.45 2c4y h LEU 103 Cb 0.44 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2c4y h LEU 103 CO 0.03 0.71 0.57 0.40 -0.34 0.00 0.00 178.44 179.80 2c4y h ILE 104 N 0.13 1.09 -0.41 4.05 2.04 -0.94 -1.14 117.51 122.32 2c4y h ILE 104 Ca 0.05 -0.35 -0.15 0.00 1.00 0.00 0.00 64.86 65.42 2c4y h ILE 104 Cb 0.53 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2c4y h ILE 104 CO 0.02 0.18 -0.33 0.58 0.00 0.00 0.00 178.15 178.61 2c4y h VAL 105 N 1.01 1.27 -0.13 1.67 2.07 -1.06 -2.44 116.25 118.63 2c4y h VAL 105 Ca 0.36 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 2c4y h VAL 105 Cb 0.15 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2c4y h VAL 105 CO -0.13 0.51 -0.20 0.11 0.02 0.00 0.00 177.57 177.89 2c4y h LYS 106 N 0.79 0.21 -0.61 1.57 1.57 -0.51 -1.20 116.57 118.39 2c4y h LYS 106 Ca 0.08 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2c4y h LYS 106 Cb 0.91 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 2c4y h LYS 106 CO 0.08 0.41 0.09 0.00 -0.57 0.00 0.00 179.45 179.46 2c4y h ALA 107 N 1.61 0.81 -0.46 3.86 0.00 -0.96 0.82 119.26 124.93 2c4y h ALA 107 Ca 0.04 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2c4y h ALA 107 Cb 0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2c4y h ALA 107 CO 0.03 0.58 -0.25 0.52 0.00 0.00 0.00 179.25 180.13 2c4y h MET 108 N 0.92 0.97 -0.35 0.00 2.86 -0.93 -0.69 114.93 117.72 2c4y h MET 108 Ca 0.18 -0.43 -0.13 0.00 -2.06 0.00 0.00 59.70 57.26 2c4y h MET 108 Cb 0.44 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2c4y h MET 108 CO 0.01 1.10 -0.33 1.96 1.06 0.00 0.00 176.91 180.72 2c4y h GLN 109 N 0.83 0.77 -0.44 1.72 4.20 -1.06 -3.01 115.11 118.13 2c4y h GLN 109 Ca 0.10 -0.36 -0.08 0.00 0.06 0.00 0.00 58.65 58.37 2c4y h GLN 109 Cb 0.83 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2c4y h GLN 109 CO 0.07 0.98 -0.05 0.78 -0.67 0.00 0.00 178.83 179.95 2c4y h GLY 110 N 0.94 0.87 0.52 3.46 0.00 -0.70 -1.66 103.07 106.50 2c4y h GLY 110 Ca 0.07 -0.68 0.15 0.00 0.00 0.00 0.00 47.33 46.87 2c4y h GLY 110 CO 0.08 0.62 0.57 -2.00 0.00 0.00 0.00 176.54 175.80 2c4y h LEU 111 N 0.64 0.59 -2.32 3.11 5.85 -1.03 -2.39 115.31 119.77 2c4y h LEU 111 Ca 0.12 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2c4y h LEU 111 Cb 0.56 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2c4y h LEU 111 CO 0.03 0.29 0.00 0.18 -0.34 0.00 0.00 178.44 178.61 2c4y n LEU 112 N -4.55 3.27 -4.76 2.25 4.77 -1.08 -4.34 117.00 112.57 2c4y n LEU 112 Ca 0.17 -1.53 -0.39 0.00 -0.03 0.00 0.00 56.01 54.23 2c4y n LEU 112 Cb 0.50 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2c4y n LEU 112 CO 0.30 0.72 1.00 -0.75 -1.33 0.00 0.00 177.39 177.33 2c4y s LYS 113 N -1.35 3.43 0.24 3.23 2.20 -0.65 -4.77 119.74 122.06 2c4y s LYS 113 Ca 0.35 2.27 -0.31 0.00 -0.36 0.00 0.00 55.97 57.91 2c4y s LYS 113 Cb 0.20 -2.44 -0.13 0.00 -1.51 0.00 0.00 37.83 33.95 2c4y s LYS 113 CO 0.28 -0.97 1.52 -0.25 -0.36 0.00 0.00 175.35 175.58 2c4y n ASP 114 N -0.61 3.25 0.00 1.43 8.00 -1.26 -1.98 116.55 125.37 2c4y n ASP 114 Ca 0.08 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.70 2c4y n ASP 114 Cb 0.44 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 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 2.58 3.42 3.82 0.44 0.00 -1.26 -5.05 105.19 109.14 2c4y n GLY 115 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.99 6.22 0.13 1.61 0.01 -0.84 -4.89 114.94 116.19 2c4y s ASN 116 Ca 0.00 1.73 -0.26 0.00 -0.71 0.00 0.00 52.86 53.62 2c4y s ASN 116 Cb 0.00 -2.53 -0.06 0.00 0.41 0.00 0.00 41.25 39.07 2c4y s ASN 116 CO 0.00 -0.87 1.34 -2.65 -1.51 0.00 0.00 177.10 173.41 2c4y n PRO 117 N -1.67 -0.37 0.06 -0.60 -0.02 -1.26 -2.31 135.00 128.83 2c4y n PRO 117 Ca 0.08 1.31 -0.13 0.00 -2.02 0.00 0.00 63.50 62.74 2c4y n PRO 117 Cb 0.53 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.05 -0.14 4.25 2.04 -1.94 -1.18 117.51 121.60 2c4y h ILE 118 Ca 0.13 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2c4y h ILE 118 Cb 0.34 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2c4y h ILE 118 CO -0.79 0.11 -0.04 1.55 0.00 0.00 0.00 178.15 178.98 2c4y h PRO 119 N -0.32 0.20 -0.43 2.37 0.13 -1.74 -2.05 132.00 130.17 2c4y h PRO 119 Ca -0.01 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 2c4y h PRO 119 Cb 0.27 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 2c4y h PRO 119 CO 0.02 0.26 -0.00 0.77 -0.23 0.00 0.00 178.00 178.82 2c4y h SER 120 N 0.20 0.75 0.03 1.44 0.02 -1.29 -1.15 113.55 113.55 2c4y h SER 120 Ca 0.05 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2c4y h SER 120 Cb 0.21 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2c4y h SER 120 CO 0.01 0.88 -0.01 0.00 -1.14 0.00 0.00 176.83 176.56 2c4y h ALA 121 N 0.90 -0.04 -0.18 3.77 0.00 -0.74 -2.65 119.26 120.32 2c4y h ALA 121 Ca 0.12 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2c4y h ALA 121 Cb 0.49 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2c4y h ALA 121 CO 0.02 -0.46 0.04 0.82 0.00 0.00 0.00 179.25 179.67 2c4y h ILE 122 N -0.15 0.93 0.00 0.00 2.04 -1.33 0.18 117.51 119.18 2c4y h ILE 122 Ca -0.00 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2c4y h ILE 122 Cb 0.14 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2c4y h ILE 122 CO 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 178.15 178.16 2c4y h ALA 123 N 1.12 1.19 -0.43 1.87 0.00 -1.18 -2.04 119.26 119.79 2c4y h ALA 123 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2c4y h ALA 123 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2c4y h ALA 123 CO -0.10 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.18 2c4y n ALA 124 N -2.18 3.19 -2.52 0.00 0.00 -0.91 -4.94 120.51 113.15 2c4y n ALA 124 Ca -0.02 -1.95 -0.19 0.00 0.00 0.00 0.00 53.44 51.28 2c4y n ALA 124 Cb 0.12 -0.86 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.22 -5.27 -4.71 0.00 3.02 -0.77 -4.95 115.26 102.81 2c4y n ASN 125 Ca 0.23 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.46 2c4y n ASN 125 Cb 0.93 -4.39 -0.06 0.00 -0.61 0.00 0.00 39.78 35.65 2c4y n ASN 125 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2c4y n SER 126 N -2.02 3.39 0.00 6.41 7.64 0.57 -5.02 113.62 124.59 2c4y n SER 126 Ca -0.19 -3.23 0.00 0.00 1.01 0.00 0.00 58.87 56.45 2c4y n SER 126 Cb 0.65 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 2c4y n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2c4y n GLY 127 N -1.16 5.83 3.88 0.23 0.00 -1.26 -4.18 105.19 108.52 2c4y n GLY 127 Ca -0.20 -1.93 -0.34 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 1.64 5.19 0.00 -0.61 -1.09 -1.26 -4.76 121.20 120.30 2c4y s ILE 128 Ca 0.00 0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 2c4y s ILE 128 Cb 0.00 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 2c4y s ILE 128 CO 0.00 0.31 0.00 0.00 -1.23 0.00 0.00 174.94 174.02