#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gyc s ILE 4 N 0.00 4.68 0.36 -0.18 -0.00 -1.26 -5.09 121.20 119.72 2gyc s ILE 4 Ca 0.00 -0.10 0.07 0.00 -0.00 0.00 0.00 60.65 60.62 2gyc s ILE 4 Cb 0.00 -3.01 -0.07 0.00 -0.00 0.00 0.00 42.46 39.38 2gyc s ILE 4 CO 0.00 0.59 -0.01 -0.13 -0.00 0.00 0.00 174.94 175.39 2gyc s ARG 5 N -0.74 1.82 0.25 0.37 1.81 -1.26 -5.04 118.95 116.16 2gyc s ARG 5 Ca 0.12 -2.00 0.15 0.00 -1.72 0.00 0.00 55.73 52.28 2gyc s ARG 5 Cb -0.12 -1.44 0.03 0.00 -0.45 0.00 0.00 34.95 32.97 2gyc s ARG 5 CO 0.02 -0.03 1.37 -0.09 -0.68 0.00 0.00 175.30 175.90 2gyc h ARG 6 N 1.95 0.00 -1.27 3.54 1.12 -1.93 -3.29 114.38 114.50 2gyc h ARG 6 Ca -0.42 0.00 -0.30 0.00 -1.11 0.00 0.00 59.98 58.15 2gyc h ARG 6 Cb 1.24 0.00 -0.15 0.00 -0.01 0.00 0.00 29.97 31.05 2gyc h ARG 6 CO 0.75 0.50 0.38 -3.47 -3.11 0.00 0.00 179.97 175.03 2gyc n ASP 7 N -3.19 5.04 -4.20 -3.80 2.03 -1.26 -3.68 116.55 107.49 2gyc n ASP 7 Ca 0.01 -2.95 -0.15 0.00 0.52 0.00 0.00 54.79 52.21 2gyc n ASP 7 Cb 0.76 -0.87 -0.11 0.00 -0.72 0.00 0.00 41.12 40.17 2gyc n ASP 7 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2gyc s ASP 8 N -0.00 1.61 -0.04 1.67 1.01 -1.24 -4.47 116.67 115.21 2gyc s ASP 8 Ca 0.30 -0.81 -0.05 0.00 0.71 0.00 0.00 52.55 52.70 2gyc s ASP 8 Cb 0.24 -0.01 -0.04 0.00 1.01 0.00 0.00 42.92 44.12 2gyc s ASP 8 CO 0.02 -0.23 0.19 -1.61 0.21 0.00 0.00 175.17 173.75 2gyc s GLU 9 N -2.76 3.47 0.19 8.23 2.02 -1.21 -0.86 118.70 127.77 2gyc s GLU 9 Ca 0.07 -0.23 0.10 0.00 0.02 0.00 0.00 54.97 54.93 2gyc s GLU 9 Cb -0.03 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 2gyc s GLU 9 CO 0.01 0.70 -0.21 0.08 0.02 0.00 0.00 175.26 175.86 2gyc s VAL 10 N -1.24 2.15 -0.16 2.63 1.01 0.05 -4.51 120.40 120.34 2gyc s VAL 10 Ca 0.24 -2.03 -0.00 0.00 0.00 0.00 0.00 61.98 60.18 2gyc s VAL 10 Cb -0.13 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.26 2gyc s VAL 10 CO 0.14 -0.24 -0.06 -0.63 0.00 0.00 0.00 175.10 174.31 2gyc s ILE 11 N -1.94 1.15 0.76 2.22 -1.09 -1.13 -3.19 121.20 117.99 2gyc s ILE 11 Ca 0.20 -0.59 -0.13 0.00 -2.23 0.00 0.00 60.65 57.90 2gyc s ILE 11 Cb -0.07 -1.28 0.05 0.00 -1.58 0.00 0.00 42.46 39.59 2gyc s ILE 11 CO 0.09 0.20 1.16 -0.69 -1.23 0.00 0.00 174.94 174.47 2gyc s VAL 12 N 1.62 2.58 0.00 2.92 1.01 -1.19 -1.72 120.40 125.62 2gyc s VAL 12 Ca 0.02 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.24 2gyc s VAL 12 Cb -0.15 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2gyc s VAL 12 CO -0.08 -0.19 0.00 0.18 0.00 0.00 0.00 175.10 175.01 2gyc n LEU 13 N -3.07 0.00 0.05 3.92 4.77 -0.98 -2.85 117.00 118.85 2gyc n LEU 13 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2gyc n LEU 13 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2gyc n LEU 13 CO 0.49 0.00 -0.10 0.35 -1.33 0.00 0.00 177.39 176.79 2gyc n THR 14 N 0.00 0.77 -0.82 -5.08 -2.24 -1.26 -4.91 114.28 100.74 2gyc n THR 14 Ca 0.00 0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.69 2gyc n THR 14 Cb 0.00 -1.38 0.11 0.00 -2.10 0.00 0.00 70.33 66.96 2gyc n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gyc n GLY 15 N 3.05 -2.74 0.10 3.38 0.00 -1.26 -4.65 105.19 103.07 2gyc n GLY 15 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.38 2gyc n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2gyc n LYS 16 N -0.59 0.07 -0.78 1.61 2.85 -1.26 0.08 118.16 120.14 2gyc n LYS 16 Ca 0.02 0.54 -0.02 0.00 -1.05 0.00 0.00 58.31 57.80 2gyc n LYS 16 Cb 0.60 -1.84 0.26 0.00 -0.65 0.00 0.00 35.03 33.40 2gyc n LYS 16 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2gyc n ASP 17 N -1.88 4.37 -4.67 -5.58 8.00 -1.26 -4.96 116.55 110.57 2gyc n ASP 17 Ca -0.01 -2.89 -0.42 0.00 0.71 0.00 0.00 54.79 52.18 2gyc n ASP 17 Cb 0.11 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.50 2gyc n ASP 17 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2gyc s LYS 18 N -2.44 4.14 0.00 -1.24 2.20 0.11 -1.91 119.74 120.60 2gyc s LYS 18 Ca 0.43 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.66 2gyc s LYS 18 Cb 0.34 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2gyc s LYS 18 CO 0.11 -0.92 0.00 0.41 -0.36 0.00 0.00 175.35 174.59 2gyc n GLY 19 N 4.45 1.06 3.78 5.54 0.00 -1.13 -4.94 105.19 113.94 2gyc n GLY 19 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2gyc n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gyc s LYS 20 N -0.70 4.40 0.16 1.61 -0.14 -0.80 -4.89 119.74 119.39 2gyc s LYS 20 Ca 0.00 1.51 0.10 0.00 -1.36 0.00 0.00 55.97 56.22 2gyc s LYS 20 Cb 0.00 -2.77 -0.04 0.00 -1.68 0.00 0.00 37.83 33.34 2gyc s LYS 20 CO 0.00 0.07 -0.16 1.03 -0.76 0.00 0.00 175.35 175.53 2gyc s ARG 21 N -2.12 1.83 0.00 1.68 0.52 -1.26 -3.18 118.95 116.41 2gyc s ARG 21 Ca 0.52 -1.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.43 2gyc s ARG 21 Cb -0.23 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.18 2gyc s ARG 21 CO 0.29 0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.46 2gyc n GLY 22 N 0.34 0.92 3.91 -3.53 0.00 -1.19 -4.78 105.19 100.86 2gyc n GLY 22 Ca -0.13 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 2gyc n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gyc s LYS 23 N -2.00 3.60 -0.33 1.61 2.20 -1.26 -0.77 119.74 122.79 2gyc s LYS 23 Ca 0.00 -0.06 -0.29 0.00 -0.36 0.00 0.00 55.97 55.26 2gyc s LYS 23 Cb 0.00 -2.65 0.01 0.00 -1.51 0.00 0.00 37.83 33.68 2gyc s LYS 23 CO 0.00 0.19 1.23 0.08 -0.36 0.00 0.00 175.35 176.49 2gyc s VAL 24 N -2.14 4.23 0.04 4.02 1.01 -0.04 0.79 120.40 128.30 2gyc s VAL 24 Ca 0.43 1.38 -0.31 0.00 0.00 0.00 0.00 61.98 63.48 2gyc s VAL 24 Cb -0.10 -4.29 -0.17 0.00 0.00 0.00 0.00 36.38 31.82 2gyc s VAL 24 CO 0.32 -0.56 1.34 0.50 0.00 0.00 0.00 175.10 176.69 2gyc h LYS 25 N 9.04 -1.07 -2.48 2.72 1.63 -0.30 -3.42 116.57 122.69 2gyc h LYS 25 Ca -0.24 0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.61 2gyc h LYS 25 Cb 1.08 0.24 -0.16 0.00 -0.60 0.00 0.00 32.23 32.80 2gyc h LYS 25 CO 1.05 -0.71 0.23 1.21 -3.45 0.00 0.00 179.45 177.78 2gyc s ASN 26 N -4.03 -0.58 -0.13 4.20 2.47 -1.24 -4.97 114.94 110.66 2gyc s ASN 26 Ca -0.16 0.31 0.01 0.00 0.42 0.00 0.00 52.86 53.44 2gyc s ASN 26 Cb 0.02 0.55 -0.01 0.00 -1.45 0.00 0.00 41.25 40.36 2gyc s ASN 26 CO 0.49 -0.77 -0.17 0.54 -3.72 0.00 0.00 177.10 173.46 2gyc s VAL 27 N -2.55 2.62 0.24 -5.21 0.11 -1.26 -3.27 120.40 111.08 2gyc s VAL 27 Ca -0.04 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.23 2gyc s VAL 27 Cb -0.01 -2.08 -0.03 0.00 -1.53 0.00 0.00 36.38 32.74 2gyc s VAL 27 CO -0.03 0.53 0.39 -0.76 -3.33 0.00 0.00 175.10 171.90 2gyc s LEU 28 N 0.49 4.25 0.00 2.54 2.01 -1.21 -4.95 118.68 121.81 2gyc s LEU 28 Ca -0.12 0.21 0.00 0.00 0.01 0.00 0.00 54.13 54.24 2gyc s LEU 28 Cb -0.16 -3.01 0.00 0.00 0.01 0.00 0.00 46.19 43.03 2gyc s LEU 28 CO 0.05 -0.09 0.40 -1.20 1.01 0.00 0.00 176.35 176.53 2gyc n SER 29 N -1.21 0.32 -0.00 2.29 7.64 -1.26 -2.06 113.62 119.33 2gyc n SER 29 Ca -0.07 -1.13 0.11 0.00 1.01 0.00 0.00 58.87 58.79 2gyc n SER 29 Cb 0.56 -0.16 -0.15 0.00 -1.01 0.00 0.00 64.21 63.45 2gyc n SER 29 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2gyc n SER 30 N -0.10 0.29 0.00 6.43 3.41 -1.26 -4.98 113.62 117.41 2gyc n SER 30 Ca 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 2gyc n SER 30 Cb 0.08 1.67 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 2gyc n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gyc n GLY 31 N 1.32 2.78 3.83 5.00 0.00 -0.87 -5.07 105.19 112.17 2gyc n GLY 31 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2gyc n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gyc s LYS 32 N -0.89 3.82 -0.02 1.61 1.02 -1.26 -4.26 119.74 119.75 2gyc s LYS 32 Ca 0.00 1.07 0.00 0.00 0.02 0.00 0.00 55.97 57.06 2gyc s LYS 32 Cb 0.00 -2.11 0.03 0.00 -0.52 0.00 0.00 37.83 35.22 2gyc s LYS 32 CO 0.00 -0.39 0.01 0.14 -0.92 0.00 0.00 175.35 174.20 2gyc s VAL 33 N -2.48 0.06 -0.28 3.17 -7.23 -0.94 -3.28 120.40 109.42 2gyc s VAL 33 Ca 0.61 0.14 -0.11 0.00 -1.81 0.00 0.00 61.98 60.81 2gyc s VAL 33 Cb -0.12 -0.18 -0.05 0.00 0.56 0.00 0.00 36.38 36.60 2gyc s VAL 33 CO 0.30 0.11 0.20 -0.51 -0.31 0.00 0.00 175.10 174.89 2gyc s ILE 34 N 1.00 5.31 -0.13 -0.62 -1.16 -1.20 -2.89 121.20 121.51 2gyc s ILE 34 Ca -0.09 0.19 -0.07 0.00 -0.51 0.00 0.00 60.65 60.18 2gyc s ILE 34 Cb -0.13 -3.54 -0.04 0.00 0.61 0.00 0.00 42.46 39.37 2gyc s ILE 34 CO -0.02 0.25 0.11 -0.69 -2.81 0.00 0.00 174.94 171.78 2gyc s VAL 35 N 1.71 5.24 -0.62 4.00 1.01 -1.26 0.41 120.40 130.89 2gyc s VAL 35 Ca 0.07 0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 2gyc s VAL 35 Cb -0.16 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 2gyc s VAL 35 CO 0.10 0.58 2.42 -0.62 0.00 0.00 0.00 175.10 177.59 2gyc n GLU 36 N 2.31 0.83 0.00 2.72 1.02 0.24 -2.26 120.64 125.50 2gyc n GLU 36 Ca -0.19 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.63 2gyc n GLU 36 Cb 0.54 -3.48 0.00 0.00 -0.02 0.00 0.00 31.44 28.48 2gyc n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gyc n GLY 37 N 6.31 2.58 3.57 0.62 0.00 -1.26 -4.20 105.19 112.82 2gyc n GLY 37 Ca 0.42 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2gyc n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gyc s ILE 38 N 0.00 3.81 0.52 -0.61 1.01 -0.96 -4.91 121.20 120.06 2gyc s ILE 38 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 59.53 2gyc s ILE 38 Cb 0.00 -4.80 -0.00 0.00 0.01 0.00 0.00 42.46 37.67 2gyc s ILE 38 CO 0.00 -1.55 0.04 0.20 0.00 0.00 0.00 174.94 173.63 2gyc s ASN 39 N 5.65 4.20 0.13 3.58 0.01 -1.26 -4.09 114.94 123.15 2gyc s ASN 39 Ca 0.59 -1.65 0.04 0.00 -0.71 0.00 0.00 52.86 51.13 2gyc s ASN 39 Cb 0.00 0.61 -0.04 0.00 0.41 0.00 0.00 41.25 42.23 2gyc s ASN 39 CO 0.04 -0.92 -0.11 -0.22 -1.51 0.00 0.00 177.10 174.38 2gyc s LEU 40 N -3.93 2.47 -0.50 0.60 2.96 -1.07 -4.82 118.68 114.38 2gyc s LEU 40 Ca 0.05 -0.92 -0.19 0.00 -0.22 0.00 0.00 54.13 52.85 2gyc s LEU 40 Cb 0.00 -0.36 0.06 0.00 0.50 0.00 0.00 46.19 46.39 2gyc s LEU 40 CO 0.03 -0.28 0.62 -0.69 -1.32 0.00 0.00 176.35 174.71 2gyc s VAL 41 N -2.86 4.88 0.63 1.68 1.01 -1.26 -3.16 120.40 121.32 2gyc s VAL 41 Ca 0.12 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 2gyc s VAL 41 Cb -0.00 -4.29 0.16 0.00 0.00 0.00 0.00 36.38 32.25 2gyc s VAL 41 CO 0.01 -0.79 0.49 0.29 0.00 0.00 0.00 175.10 175.10 2gyc n LYS 42 N 6.14 -2.53 0.00 2.72 5.02 -1.24 -4.87 118.16 123.40 2gyc n LYS 42 Ca -0.06 -0.79 0.00 0.00 -2.02 0.00 0.00 58.31 55.44 2gyc n LYS 42 Cb 0.45 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 2gyc n LYS 42 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2gyc n LYS 43 N -3.37 0.00 0.00 1.97 4.76 -1.26 -2.56 118.16 117.70 2gyc n LYS 43 Ca 0.07 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 2gyc n LYS 43 Cb 0.28 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 2gyc n LYS 43 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2gyc n HIS 44 N -1.25 0.00 -3.76 2.13 1.44 -1.26 -4.73 115.22 107.79 2gyc n HIS 44 Ca 0.00 -0.15 -0.31 0.00 -2.01 0.00 0.00 57.72 55.25 2gyc n HIS 44 Cb 0.00 -0.14 0.02 0.00 0.12 0.00 0.00 29.99 29.99 2gyc n HIS 44 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 2gyc n GLN 45 N 0.83 -1.04 -3.88 -1.40 7.27 -1.06 -4.98 117.38 113.12 2gyc n GLN 45 Ca 0.00 0.55 -0.35 0.00 0.07 0.00 0.00 57.00 57.26 2gyc n GLN 45 Cb 0.15 -3.29 -0.14 0.00 2.41 0.00 0.00 30.24 29.38 2gyc n GLN 45 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2gyc s LYS 46 N -5.77 3.19 -0.74 3.69 1.02 -1.26 -4.89 119.74 114.97 2gyc s LYS 46 Ca 0.29 -0.76 -0.19 0.00 0.02 0.00 0.00 55.97 55.34 2gyc s LYS 46 Cb -0.13 -3.10 -0.17 0.00 -0.52 0.00 0.00 37.83 33.92 2gyc s LYS 46 CO 0.89 -0.30 1.77 -2.30 -0.92 0.00 0.00 175.35 174.48 2gyc n PRO 47 N 4.79 0.06 -4.10 -1.68 -0.02 -1.26 -3.69 135.00 129.09 2gyc n PRO 47 Ca -0.17 -1.17 -0.21 0.00 -2.02 0.00 0.00 63.50 59.93 2gyc n PRO 47 Cb 0.49 -3.03 -0.17 0.00 -0.02 0.00 0.00 33.50 30.78 2gyc n PRO 47 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2gyc s VAL 48 N 12.03 0.54 0.26 -1.45 1.01 -1.19 -4.99 120.40 126.61 2gyc s VAL 48 Ca 0.56 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2gyc s VAL 48 Cb -0.03 -0.59 -0.10 0.00 0.00 0.00 0.00 36.38 35.66 2gyc s VAL 48 CO 0.13 0.24 1.35 -2.16 0.00 0.00 0.00 175.10 174.66 2gyc s PRO 49 N 1.10 4.35 -0.17 2.72 0.04 -1.26 -2.60 135.00 139.18 2gyc s PRO 49 Ca -0.08 2.18 -0.35 0.00 0.04 0.00 0.00 61.00 62.79 2gyc s PRO 49 Cb -0.14 -3.13 0.14 0.00 0.04 0.00 0.00 34.50 31.41 2gyc s PRO 49 CO -0.01 -0.28 1.22 0.00 0.04 0.00 0.00 177.00 177.97 2gyc s ALA 50 N -0.32 -2.09 0.84 8.56 0.00 -1.09 0.32 121.76 127.98 2gyc s ALA 50 Ca 0.55 1.51 -0.12 0.00 0.00 0.00 0.00 51.96 53.90 2gyc s ALA 50 Cb -0.39 -0.07 0.10 0.00 0.00 0.00 0.00 23.12 22.76 2gyc s ALA 50 CO 0.44 -0.64 1.15 -0.51 0.00 0.00 0.00 175.76 176.19 2gyc s LEU 51 N -2.26 2.35 -0.69 0.00 1.02 -1.23 -4.50 118.68 113.37 2gyc s LEU 51 Ca 0.10 0.94 -0.12 0.00 0.02 0.00 0.00 54.13 55.07 2gyc s LEU 51 Cb -0.00 -3.41 0.18 0.00 0.02 0.00 0.00 46.19 42.98 2gyc s LEU 51 CO -0.04 -2.12 0.61 0.54 0.02 0.00 0.00 176.35 175.35 2gyc s ASN 52 N -4.27 6.25 -0.26 2.29 4.22 -1.26 -5.00 114.94 116.91 2gyc s ASN 52 Ca 0.62 -2.46 -0.26 0.00 -2.14 0.00 0.00 52.86 48.63 2gyc s ASN 52 Cb -0.13 -2.12 0.10 0.00 1.28 0.00 0.00 41.25 40.38 2gyc s ASN 52 CO 0.51 -0.60 0.87 0.00 -2.04 0.00 0.00 177.10 175.84 2gyc s GLN 53 N 0.54 0.69 0.45 3.55 0.00 -1.26 -5.16 119.66 118.46 2gyc s GLN 53 Ca 0.13 0.74 -0.23 0.00 -0.00 0.00 0.00 55.36 56.00 2gyc s GLN 53 Cb -0.18 0.33 -0.08 0.00 0.00 0.00 0.00 33.01 33.09 2gyc s GLN 53 CO -0.05 -0.10 1.17 -1.25 0.00 0.00 0.00 175.29 175.07 2gyc s PRO 54 N 0.16 3.82 0.00 9.60 0.04 -1.26 -4.98 135.00 142.38 2gyc s PRO 54 Ca 0.01 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2gyc s PRO 54 Cb -0.05 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.03 2gyc s PRO 54 CO -0.02 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2gyc n GLY 55 N 0.49 -2.16 0.00 0.56 0.00 -1.26 -5.12 105.19 97.70 2gyc n GLY 55 Ca 0.07 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2gyc n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gyc n GLY 56 N -0.51 1.37 3.55 -0.02 0.00 -1.26 -4.94 105.19 103.38 2gyc n GLY 56 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2gyc n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gyc s ILE 57 N 0.30 5.19 0.08 -0.61 -1.16 -1.26 -5.07 121.20 118.68 2gyc s ILE 57 Ca 0.00 -0.02 0.04 0.00 -0.51 0.00 0.00 60.65 60.16 2gyc s ILE 57 Cb 0.00 -3.55 -0.03 0.00 0.61 0.00 0.00 42.46 39.49 2gyc s ILE 57 CO 0.00 0.16 -0.11 -0.69 -2.81 0.00 0.00 174.94 171.49 2gyc s VAL 58 N 1.73 0.97 0.96 4.00 1.01 -1.26 -5.14 120.40 122.67 2gyc s VAL 58 Ca 0.06 -1.48 -0.13 0.00 0.00 0.00 0.00 61.98 60.44 2gyc s VAL 58 Cb -0.16 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.04 2gyc s VAL 58 CO 0.10 -0.43 0.29 -0.62 0.00 0.00 0.00 175.10 174.44 2gyc n GLU 59 N 0.88 -0.29 0.00 2.72 -0.58 -1.26 -5.03 120.64 117.08 2gyc n GLU 59 Ca -0.18 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.51 2gyc n GLU 59 Cb 0.56 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 2gyc n GLU 59 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2gyc n LYS 60 N -1.33 3.08 -1.45 3.49 5.02 -1.26 -4.58 118.16 121.13 2gyc n LYS 60 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2gyc n LYS 60 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 2gyc n LYS 60 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2gyc n GLU 61 N 0.00 -4.00 0.00 1.97 2.13 0.15 -4.51 120.64 116.38 2gyc n GLU 61 Ca 0.00 3.04 0.14 0.00 0.66 0.00 0.00 57.16 61.00 2gyc n GLU 61 Cb 0.00 -3.60 0.65 0.00 0.27 0.00 0.00 31.44 28.76 2gyc n GLU 61 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gyc n ALA 62 N -1.68 2.56 -2.91 4.31 0.00 -1.26 -2.67 120.51 118.86 2gyc n ALA 62 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 2gyc n ALA 62 Cb 0.21 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.24 2gyc n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gyc n ALA 63 N -1.31 -2.76 -2.41 0.00 0.00 -1.26 -4.69 120.51 108.08 2gyc n ALA 63 Ca 0.11 0.61 -0.25 0.00 0.00 0.00 0.00 53.44 53.91 2gyc n ALA 63 Cb 0.29 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.09 2gyc n ALA 63 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2gyc s ILE 64 N -2.77 4.66 -0.04 0.00 1.09 -1.14 -4.92 121.20 118.07 2gyc s ILE 64 Ca 0.13 -0.23 0.07 0.00 -1.10 0.00 0.00 60.65 59.52 2gyc s ILE 64 Cb -0.04 -3.74 -0.02 0.00 -1.06 0.00 0.00 42.46 37.61 2gyc s ILE 64 CO 0.74 -0.59 -0.25 -1.10 -0.10 0.00 0.00 174.94 173.64 2gyc s GLN 65 N -4.56 2.35 0.00 2.79 -0.21 -1.26 -2.21 119.66 116.55 2gyc s GLN 65 Ca 0.45 -0.91 0.04 0.00 0.02 0.00 0.00 55.36 54.96 2gyc s GLN 65 Cb -0.10 -2.12 0.17 0.00 1.00 0.00 0.00 33.01 31.96 2gyc s GLN 65 CO 0.40 0.47 1.11 0.28 -2.12 0.00 0.00 175.29 175.43 2gyc n VAL 66 N 2.69 1.67 0.08 1.09 0.31 -1.26 -1.89 118.33 121.03 2gyc n VAL 66 Ca -0.17 0.42 -0.13 0.00 -0.01 0.00 0.00 64.34 64.45 2gyc n VAL 66 Cb 0.52 -1.35 -0.13 0.00 -0.91 0.00 0.00 33.84 31.96 2gyc n VAL 66 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2gyc h SER 67 N 0.00 0.27 -0.37 4.52 4.64 -1.94 -3.32 113.55 117.35 2gyc h SER 67 Ca 0.00 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2gyc h SER 67 Cb 0.07 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2gyc h SER 67 CO 0.00 1.24 0.00 -0.46 -0.87 0.00 0.00 176.83 176.74 2gyc n ASN 68 N -3.45 3.24 -3.45 4.97 6.94 -0.79 -4.98 115.26 117.73 2gyc n ASN 68 Ca -0.07 -1.93 -0.19 0.00 -0.02 0.00 0.00 54.58 52.38 2gyc n ASN 68 Cb 1.00 -0.24 0.12 0.00 -2.36 0.00 0.00 39.78 38.30 2gyc n ASN 68 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2gyc n VAL 69 N 1.22 0.00 -3.30 3.53 0.24 -1.09 -2.32 118.33 116.62 2gyc n VAL 69 Ca 0.17 -0.81 -0.09 0.00 -2.04 0.00 0.00 64.34 61.57 2gyc n VAL 69 Cb 0.53 -1.46 -0.06 0.00 -1.47 0.00 0.00 33.84 31.39 2gyc n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gyc s ALA 70 N -3.67 -1.24 0.00 2.33 0.00 -0.70 -4.82 121.76 113.66 2gyc s ALA 70 Ca 0.50 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2gyc s ALA 70 Cb -0.02 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.97 2gyc s ALA 70 CO 0.34 -1.82 0.00 -0.89 0.00 0.00 0.00 175.76 173.39 2gyc n ILE 71 N 5.19 0.00 -3.64 0.00 5.41 -1.26 -2.84 119.36 122.22 2gyc n ILE 71 Ca 0.02 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.50 2gyc n ILE 71 Cb 0.49 -0.16 -0.10 0.00 -0.71 0.00 0.00 39.64 39.16 2gyc n ILE 71 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 2gyc n PHE 72 N 0.00 2.44 -2.94 1.39 7.35 -1.26 -4.75 117.46 119.69 2gyc n PHE 72 Ca 0.00 -4.06 -0.41 0.00 -0.76 0.00 0.00 57.45 52.21 2gyc n PHE 72 Cb 0.00 -0.45 -0.05 0.00 0.35 0.00 0.00 39.48 39.33 2gyc n PHE 72 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2gyc s ASN 73 N -1.49 6.78 -1.28 -2.13 3.84 -1.26 -4.96 114.94 114.43 2gyc s ASN 73 Ca 0.31 0.96 -0.17 0.00 0.21 0.00 0.00 52.86 54.18 2gyc s ASN 73 Cb 0.04 -2.41 -0.00 0.00 -0.55 0.00 0.00 41.25 38.32 2gyc s ASN 73 CO -0.13 -0.48 2.08 0.00 -2.79 0.00 0.00 177.10 175.78 2gyc n ALA 74 N 5.90 4.61 -3.81 1.71 0.00 -1.26 -4.81 120.51 122.86 2gyc n ALA 74 Ca 0.04 -3.72 -0.03 0.00 0.00 0.00 0.00 53.44 49.73 2gyc n ALA 74 Cb 0.48 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.36 2gyc n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gyc s ALA 75 N 4.09 -1.70 -0.43 0.00 0.00 -1.26 -5.12 121.76 117.34 2gyc s ALA 75 Ca 0.51 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.17 2gyc s ALA 75 Cb 0.12 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.93 2gyc s ALA 75 CO -0.01 -1.06 1.01 0.95 0.00 0.00 0.00 175.76 176.65 2gyc s THR 76 N -2.65 4.42 0.25 0.00 -4.23 -1.26 -5.00 115.64 107.17 2gyc s THR 76 Ca 0.17 1.11 0.05 0.00 -1.18 0.00 0.00 61.69 61.84 2gyc s THR 76 Cb -0.01 -4.46 -0.02 0.00 1.34 0.00 0.00 72.50 69.34 2gyc s THR 76 CO 0.03 -0.78 0.19 0.61 -0.54 0.00 0.00 174.62 174.13 2gyc n GLY 77 N 4.67 3.26 0.03 3.99 0.00 -1.26 -5.04 105.19 110.83 2gyc n GLY 77 Ca 0.09 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.36 2gyc n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gyc n LYS 78 N -0.49 0.20 -0.51 1.61 4.81 -1.26 -4.94 118.16 117.58 2gyc n LYS 78 Ca 0.04 0.02 -0.28 0.00 -0.87 0.00 0.00 58.31 57.22 2gyc n LYS 78 Cb 0.44 -1.59 0.26 0.00 0.02 0.00 0.00 35.03 34.16 2gyc n LYS 78 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gyc s ALA 79 N -3.13 -0.70 0.00 3.14 0.00 -1.26 -5.06 121.76 114.76 2gyc s ALA 79 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2gyc s ALA 79 Cb 0.15 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2gyc s ALA 79 CO 0.76 -3.99 0.00 -0.25 0.00 0.00 0.00 175.76 172.28 2gyc n ASP 80 N -5.02 0.00 -4.76 0.00 8.00 -1.26 -5.14 116.55 108.37 2gyc n ASP 80 Ca 0.02 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.18 2gyc n ASP 80 Cb 0.54 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.68 2gyc n ASP 80 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2gyc s ARG 81 N 4.40 2.91 -0.05 -1.24 3.52 -1.26 -5.05 118.95 122.18 2gyc s ARG 81 Ca 0.00 1.58 -0.06 0.00 -0.13 0.00 0.00 55.73 57.12 2gyc s ARG 81 Cb 0.00 -1.95 0.01 0.00 -1.56 0.00 0.00 34.95 31.46 2gyc s ARG 81 CO 0.00 -1.20 0.15 0.08 -0.81 0.00 0.00 175.30 173.52 2gyc s VAL 82 N -2.00 0.01 0.43 7.11 1.01 -1.26 -5.05 120.40 120.65 2gyc s VAL 82 Ca 0.71 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.40 2gyc s VAL 82 Cb -0.24 -0.25 -0.11 0.00 0.00 0.00 0.00 36.38 35.78 2gyc s VAL 82 CO 0.36 -0.05 0.95 -0.83 0.00 0.00 0.00 175.10 175.54 2gyc s GLY 83 N -0.09 2.41 0.00 4.51 0.00 -1.26 -4.96 107.32 107.92 2gyc s GLY 83 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.11 2gyc s GLY 83 CO 0.00 0.70 0.00 0.69 0.00 0.00 0.00 173.10 174.49 2gyc n PHE 84 N -0.60 0.00 -0.81 1.90 3.72 -1.26 -3.33 117.46 117.08 2gyc n PHE 84 Ca 0.07 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.13 2gyc n PHE 84 Cb 0.54 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.19 2gyc n PHE 84 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2gyc n ARG 85 N 0.00 -0.72 0.00 -1.08 0.63 -1.26 -4.92 116.66 109.31 2gyc n ARG 85 Ca 0.00 -0.19 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 2gyc n ARG 85 Cb 0.00 -1.54 0.00 0.00 0.45 0.00 0.00 32.46 31.37 2gyc n ARG 85 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2gyc n PHE 86 N -3.75 0.00 0.04 -0.14 -0.00 -1.26 -4.85 117.46 107.51 2gyc n PHE 86 Ca 0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.49 2gyc n PHE 86 Cb 0.61 0.00 0.13 0.00 -0.00 0.00 0.00 39.48 40.22 2gyc n PHE 86 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2gyc n GLU 87 N -0.98 0.03 -0.08 -4.13 -0.58 -1.26 -1.86 120.64 111.78 2gyc n GLU 87 Ca 0.00 0.47 -0.12 0.00 -0.42 0.00 0.00 57.16 57.09 2gyc n GLU 87 Cb 0.00 -1.70 -0.05 0.00 -0.57 0.00 0.00 31.44 29.12 2gyc n GLU 87 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2gyc h ASP 88 N 0.00 0.49 0.00 1.62 3.58 -2.00 -3.47 116.42 116.63 2gyc h ASP 88 Ca 0.00 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2gyc h ASP 88 Cb 0.19 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2gyc h ASP 88 CO 0.00 0.79 0.00 0.61 -2.88 0.00 0.00 179.24 177.76 2gyc n GLY 89 N -0.03 2.15 0.23 -0.78 0.00 -0.78 -4.59 105.19 101.40 2gyc n GLY 89 Ca -0.04 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.63 2gyc n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gyc h LYS 90 N 0.00 0.22 0.00 1.61 1.79 -1.91 -1.60 116.57 116.68 2gyc h LYS 90 Ca 0.00 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 2gyc h LYS 90 Cb 0.00 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2gyc h LYS 90 CO 0.00 0.40 -0.21 -0.22 -1.08 0.00 0.00 179.45 178.34 2gyc h LYS 91 N 0.21 0.00 -0.31 3.15 3.64 -1.92 -2.78 116.57 118.56 2gyc h LYS 91 Ca 0.04 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2gyc h LYS 91 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2gyc h LYS 91 CO 0.03 0.21 -0.23 0.28 -2.27 0.00 0.00 179.45 177.47 2gyc h VAL 92 N 0.00 1.27 -0.36 2.00 2.07 -1.59 -1.16 116.25 118.48 2gyc h VAL 92 Ca -0.00 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 2gyc h VAL 92 Cb 0.71 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2gyc h VAL 92 CO 0.03 0.41 0.11 -0.09 0.02 0.00 0.00 177.57 178.05 2gyc h ARG 93 N 0.52 0.55 -0.39 1.57 2.43 -1.47 -0.15 114.38 117.44 2gyc h ARG 93 Ca 0.08 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 2gyc h ARG 93 Cb 0.67 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2gyc h ARG 93 CO 0.05 0.58 -0.12 0.74 -1.51 0.00 0.00 179.97 179.71 2gyc h PHE 94 N 0.42 0.76 -0.18 2.20 0.04 -1.53 -2.00 116.94 116.66 2gyc h PHE 94 Ca 0.11 -0.13 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 2gyc h PHE 94 Cb 0.26 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2gyc h PHE 94 CO 0.01 0.78 -0.22 0.35 -0.60 0.00 0.00 178.31 178.63 2gyc h PHE 95 N 0.63 0.34 0.00 -0.55 3.04 -0.89 -2.18 116.94 117.33 2gyc h PHE 95 Ca 0.11 -0.06 -0.06 0.00 3.98 0.00 0.00 57.97 61.94 2gyc h PHE 95 Cb 0.57 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 2gyc h PHE 95 CO 0.03 0.51 -0.30 -0.22 -2.02 0.00 0.00 178.31 176.32 2gyc h LYS 96 N 0.28 0.00 -6.45 1.11 1.63 -0.39 -3.44 116.57 109.31 2gyc h LYS 96 Ca 0.05 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.32 2gyc h LYS 96 Cb 0.54 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.14 2gyc h LYS 96 CO 0.04 0.30 0.20 -1.54 -3.45 0.00 0.00 179.45 174.99 2gyc s SER 97 N -6.28 7.35 -0.00 4.20 1.04 -0.81 -4.94 113.70 114.25 2gyc s SER 97 Ca 0.02 1.60 0.00 0.00 0.48 0.00 0.00 55.95 58.05 2gyc s SER 97 Cb 0.09 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2gyc s SER 97 CO 0.67 0.11 0.89 0.59 0.98 0.00 0.00 173.24 176.48 2gyc n ASN 98 N 2.16 2.55 0.00 7.02 3.02 -1.26 -3.28 115.26 125.48 2gyc n ASN 98 Ca -0.03 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 2gyc n ASN 98 Cb 0.49 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2gyc n ASN 98 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2gyc n SER 99 N 0.38 4.03 -1.23 6.41 3.41 -1.26 -5.08 113.62 120.28 2gyc n SER 99 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2gyc n SER 99 Cb 0.45 0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 64.77 2gyc n SER 99 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2gyc n GLU 100 N -1.79 0.06 0.00 4.33 -0.58 -1.21 -4.92 120.64 116.53 2gyc n GLU 100 Ca 0.00 -0.33 0.00 0.00 -0.42 0.00 0.00 57.16 56.41 2gyc n GLU 100 Cb 0.41 0.29 0.00 0.00 -0.57 0.00 0.00 31.44 31.57 2gyc n GLU 100 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06