#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 s ALA 2 N 0.00 3.10 -0.51 0.00 0.00 -1.26 -4.96 121.76 118.12 3df4 s ALA 2 Ca 0.00 0.72 0.22 0.00 0.00 0.00 0.00 51.96 52.91 3df4 s ALA 2 Cb 0.00 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 3df4 s ALA 2 CO 0.00 -0.24 0.89 1.63 0.00 0.00 0.00 175.76 178.05 3df4 n LYS 3 N -0.03 0.35 -3.62 0.00 5.02 -1.26 -4.73 118.16 113.89 3df4 n LYS 3 Ca 0.05 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 3df4 n LYS 3 Cb 0.49 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 33.78 3df4 n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3df4 s ILE 4 N -3.25 0.63 0.00 -0.18 -1.09 -1.26 -4.92 121.20 111.13 3df4 s ILE 4 Ca 0.01 -1.64 0.00 0.00 -2.23 0.00 0.00 60.65 56.80 3df4 s ILE 4 Cb 0.14 -1.47 0.00 0.00 -1.58 0.00 0.00 42.46 39.55 3df4 s ILE 4 CO 0.83 -0.82 0.00 0.54 -1.23 0.00 0.00 174.94 174.26 3df4 n ARG 5 N 4.40 -1.08 0.00 2.79 5.12 -1.26 -4.89 116.66 121.74 3df4 n ARG 5 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3df4 n ARG 5 Cb 0.39 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.69 3df4 n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3df4 n ARG 6 N -1.44 0.00 -2.72 5.56 3.00 -1.26 -4.45 116.66 115.36 3df4 n ARG 6 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 3df4 n ARG 6 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 32.46 32.21 3df4 n ARG 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3df4 s ASP 7 N -2.31 6.31 0.10 6.15 1.11 -1.24 -4.31 116.67 122.49 3df4 s ASP 7 Ca 0.00 -0.33 0.08 0.00 0.18 0.00 0.00 52.55 52.47 3df4 s ASP 7 Cb 0.00 -2.49 -0.03 0.00 1.07 0.00 0.00 42.92 41.47 3df4 s ASP 7 CO 0.00 -1.44 -0.19 -1.81 1.18 0.00 0.00 175.17 172.90 3df4 s ASP 8 N 3.16 2.37 -1.33 0.27 -0.00 -1.26 -4.85 116.67 115.03 3df4 s ASP 8 Ca 0.34 -0.69 -0.09 0.00 -0.00 0.00 0.00 52.55 52.10 3df4 s ASP 8 Cb -0.11 -0.12 0.13 0.00 -0.00 0.00 0.00 42.92 42.82 3df4 s ASP 8 CO 0.19 0.02 2.09 1.21 -0.00 0.00 0.00 175.17 178.67 3df4 n GLU 9 N 1.04 3.73 -2.44 8.23 4.07 -1.26 -1.82 120.64 132.18 3df4 n GLU 9 Ca -0.19 -3.32 -0.37 0.00 -0.06 0.00 0.00 57.16 53.22 3df4 n GLU 9 Cb 0.54 -2.90 -0.03 0.00 -0.06 0.00 0.00 31.44 28.98 3df4 n GLU 9 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3df4 s VAL 10 N 0.53 3.49 -0.13 6.31 -7.23 -1.07 0.45 120.40 122.74 3df4 s VAL 10 Ca 0.45 1.19 0.05 0.00 -1.81 0.00 0.00 61.98 61.87 3df4 s VAL 10 Cb 0.12 -3.64 -0.24 0.00 0.56 0.00 0.00 36.38 33.18 3df4 s VAL 10 CO -0.03 0.06 0.34 0.00 -0.31 0.00 0.00 175.10 175.16 3df4 n ILE 11 N 0.04 1.62 -0.26 -0.62 0.00 0.60 -1.72 119.36 119.03 3df4 n ILE 11 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 62.75 62.07 3df4 n ILE 11 Cb 0.48 -1.25 0.00 0.00 0.00 0.00 0.00 39.64 38.88 3df4 n ILE 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3df4 n VAL 12 N -3.18 -1.69 -3.31 9.51 0.31 -1.26 -0.38 118.33 118.33 3df4 n VAL 12 Ca -0.29 0.38 -0.10 0.00 -0.01 0.00 0.00 64.34 64.32 3df4 n VAL 12 Cb 1.06 -0.66 -0.05 0.00 -0.91 0.00 0.00 33.84 33.28 3df4 n VAL 12 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 3df4 s LEU 13 N -2.06 -0.62 0.00 7.52 0.05 -0.09 -3.88 118.68 119.60 3df4 s LEU 13 Ca 0.00 -1.12 0.00 0.00 0.05 0.00 0.00 54.13 53.06 3df4 s LEU 13 Cb 0.00 1.07 0.00 0.00 -2.05 0.00 0.00 46.19 45.21 3df4 s LEU 13 CO 0.00 -0.25 0.00 1.07 -0.55 0.00 0.00 176.35 176.62 3df4 n THR 14 N 4.51 0.00 -0.17 5.48 5.66 -1.26 -4.80 114.28 123.69 3df4 n THR 14 Ca 0.09 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.92 3df4 n THR 14 Cb 0.49 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 69.43 3df4 n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3df4 n GLY 15 N 0.00 -3.77 6.29 1.09 0.00 -1.26 -3.53 105.19 104.00 3df4 n GLY 15 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3df4 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df4 n LYS 16 N -4.04 0.00 -3.06 1.61 4.76 -1.26 -3.42 118.16 112.76 3df4 n LYS 16 Ca 0.08 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.07 3df4 n LYS 16 Cb 0.33 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.47 3df4 n LYS 16 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3df4 s ASP 17 N -3.90 6.20 0.00 4.39 -0.00 -1.26 -4.97 116.67 117.13 3df4 s ASP 17 Ca 0.00 -1.20 0.00 0.00 -0.00 0.00 0.00 52.55 51.35 3df4 s ASP 17 Cb 0.00 -2.33 0.00 0.00 -0.00 0.00 0.00 42.92 40.59 3df4 s ASP 17 CO 0.00 -1.14 0.00 1.17 -0.00 0.00 0.00 175.17 175.20 3df4 n LYS 18 N 6.61 0.00 -1.92 8.23 0.00 -1.22 -4.37 118.16 125.48 3df4 n LYS 18 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.00 3df4 n LYS 18 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.41 3df4 n LYS 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3df4 s GLY 19 N 0.00 -0.12 0.00 3.14 0.00 -1.25 -3.84 107.32 105.24 3df4 s GLY 19 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.26 3df4 s GLY 19 CO 0.00 3.71 0.00 0.28 0.00 0.00 0.00 173.10 177.09 3df4 n LYS 20 N 8.71 2.41 0.00 2.90 4.01 0.49 -5.05 118.16 131.63 3df4 n LYS 20 Ca 0.42 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.22 3df4 n LYS 20 Cb 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.98 3df4 n LYS 20 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3df4 n ARG 21 N 0.00 0.00 0.00 1.97 1.74 -1.16 -4.28 116.66 114.93 3df4 n ARG 21 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3df4 n ARG 21 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3df4 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3df4 n GLY 22 N -0.21 0.86 3.60 -0.13 0.00 -0.70 -4.99 105.19 103.62 3df4 n GLY 22 Ca 0.00 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 3df4 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df4 s LYS 23 N -2.00 3.79 -0.65 1.61 3.01 -1.25 -2.61 119.74 121.63 3df4 s LYS 23 Ca 0.00 0.57 -0.26 0.00 -1.01 0.00 0.00 55.97 55.27 3df4 s LYS 23 Cb 0.00 -3.84 -0.12 0.00 -1.01 0.00 0.00 37.83 32.86 3df4 s LYS 23 CO 0.00 -1.10 2.42 0.28 0.51 0.00 0.00 175.35 177.46 3df4 n VAL 24 N 6.27 -0.05 -0.25 3.17 0.31 -0.76 0.68 118.33 127.70 3df4 n VAL 24 Ca 0.09 -0.64 0.03 0.00 -0.01 0.00 0.00 64.34 63.81 3df4 n VAL 24 Cb 0.48 -2.28 0.12 0.00 -0.91 0.00 0.00 33.84 31.25 3df4 n VAL 24 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3df4 h LYS 25 N 16.22 0.04 -1.27 5.55 1.57 0.11 -3.29 116.57 135.50 3df4 h LYS 25 Ca -0.12 -0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.80 3df4 h LYS 25 Cb 1.16 -0.01 -0.27 0.00 0.08 0.00 0.00 32.23 33.19 3df4 h LYS 25 CO 1.12 0.03 0.42 0.54 -0.57 0.00 0.00 179.45 180.99 3df4 s ASN 26 N -5.21 -0.43 0.14 0.86 6.03 -1.00 -4.73 114.94 110.60 3df4 s ASN 26 Ca -0.14 0.65 -0.30 0.00 -1.03 0.00 0.00 52.86 52.04 3df4 s ASN 26 Cb 0.22 1.27 -0.07 0.00 -3.03 0.00 0.00 41.25 39.64 3df4 s ASN 26 CO 0.75 -0.10 1.15 0.54 -2.03 0.00 0.00 177.10 177.41 3df4 s VAL 27 N 1.57 3.87 -0.12 3.54 0.11 -1.26 -1.78 120.40 126.33 3df4 s VAL 27 Ca -0.07 1.50 -0.12 0.00 -2.93 0.00 0.00 61.98 60.36 3df4 s VAL 27 Cb -0.04 -3.96 -0.05 0.00 -1.53 0.00 0.00 36.38 30.80 3df4 s VAL 27 CO -0.15 0.21 0.27 -0.76 -3.33 0.00 0.00 175.10 171.34 3df4 s LEU 28 N 0.14 4.33 0.65 2.54 1.43 0.18 -4.94 118.68 123.00 3df4 s LEU 28 Ca 0.53 0.58 0.30 0.00 -1.03 0.00 0.00 54.13 54.51 3df4 s LEU 28 Cb -0.30 -2.33 1.64 0.00 0.03 0.00 0.00 46.19 45.23 3df4 s LEU 28 CO 0.33 0.23 1.94 0.28 0.23 0.00 0.00 176.35 179.37 3df4 h SER 29 N 5.82 0.00 0.02 2.29 0.02 -1.96 0.26 113.55 120.01 3df4 h SER 29 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3df4 h SER 29 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3df4 h SER 29 CO 0.68 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 175.17 3df4 n SER 30 N -3.08 0.00 0.00 3.07 7.64 -1.26 -4.78 113.62 115.21 3df4 n SER 30 Ca -0.00 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.35 3df4 n SER 30 Cb 0.41 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 3df4 n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3df4 n GLY 31 N -1.40 2.10 3.95 0.23 0.00 0.91 -5.06 105.19 105.91 3df4 n GLY 31 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3df4 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df4 s LYS 32 N 0.00 2.45 0.09 1.61 3.01 -1.21 -2.30 119.74 123.39 3df4 s LYS 32 Ca 0.00 -0.44 0.03 0.00 -1.01 0.00 0.00 55.97 54.55 3df4 s LYS 32 Cb 0.00 -2.32 -0.04 0.00 -1.01 0.00 0.00 37.83 34.46 3df4 s LYS 32 CO 0.00 -0.93 -0.09 0.14 0.51 0.00 0.00 175.35 174.98 3df4 s VAL 33 N -3.00 0.82 -0.33 3.17 -7.23 0.58 0.47 120.40 114.89 3df4 s VAL 33 Ca 0.58 -1.65 -0.06 0.00 -1.81 0.00 0.00 61.98 59.04 3df4 s VAL 33 Cb -0.11 -1.35 0.03 0.00 0.56 0.00 0.00 36.38 35.52 3df4 s VAL 33 CO 0.42 -0.62 0.09 -0.63 -0.31 0.00 0.00 175.10 174.05 3df4 s ILE 34 N -2.63 3.74 -0.09 -0.62 1.01 -0.74 -1.08 121.20 120.79 3df4 s ILE 34 Ca 0.05 -1.07 -0.17 0.00 0.00 0.00 0.00 60.65 59.46 3df4 s ILE 34 Cb -0.02 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 3df4 s ILE 34 CO -0.01 -0.12 0.46 -0.69 0.00 0.00 0.00 174.94 174.57 3df4 s VAL 35 N 1.41 5.14 -0.36 2.92 1.01 -1.26 0.15 120.40 129.40 3df4 s VAL 35 Ca -0.01 0.92 -0.32 0.00 0.00 0.00 0.00 61.98 62.57 3df4 s VAL 35 Cb -0.19 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 3df4 s VAL 35 CO 0.02 0.39 2.26 1.21 0.00 0.00 0.00 175.10 178.98 3df4 n GLU 36 N 3.22 1.27 -2.10 2.72 2.13 0.21 -3.75 120.64 124.34 3df4 n GLU 36 Ca -0.09 0.31 -0.02 0.00 0.66 0.00 0.00 57.16 58.02 3df4 n GLU 36 Cb 0.52 -2.76 -0.02 0.00 0.27 0.00 0.00 31.44 29.45 3df4 n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3df4 n GLY 37 N 6.26 -3.99 0.00 8.31 0.00 -1.26 -4.27 105.19 110.24 3df4 n GLY 37 Ca 0.39 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.95 3df4 n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3df4 n ILE 38 N 0.70 0.00 -1.39 -0.61 0.13 -1.25 -4.81 119.36 112.14 3df4 n ILE 38 Ca -0.14 0.00 -0.39 0.00 -1.10 0.00 0.00 62.75 61.12 3df4 n ILE 38 Cb 0.22 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 39.00 3df4 n ILE 38 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 3df4 n ASN 39 N 0.00 6.98 -4.81 9.51 2.85 -1.26 -4.95 115.26 123.58 3df4 n ASN 39 Ca 0.00 -2.63 -0.30 0.00 -0.11 0.00 0.00 54.58 51.54 3df4 n ASN 39 Cb 0.00 -1.55 0.09 0.00 1.24 0.00 0.00 39.78 39.56 3df4 n ASN 39 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3df4 s LEU 40 N 0.77 2.62 0.00 1.20 1.02 -1.26 0.69 118.68 123.72 3df4 s LEU 40 Ca 0.61 1.28 0.00 0.00 0.02 0.00 0.00 54.13 56.05 3df4 s LEU 40 Cb 0.16 -3.91 0.00 0.00 0.02 0.00 0.00 46.19 42.46 3df4 s LEU 40 CO -0.06 -1.92 0.00 1.33 0.02 0.00 0.00 176.35 175.71 3df4 n VAL 41 N -3.40 0.00 -2.80 -1.59 0.24 0.40 -4.83 118.33 106.35 3df4 n VAL 41 Ca 0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.24 3df4 n VAL 41 Cb 0.56 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.94 3df4 n VAL 41 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3df4 n LYS 42 N 0.00 1.25 -1.70 7.34 3.00 -1.26 -3.64 118.16 123.16 3df4 n LYS 42 Ca 0.00 -3.38 -0.53 0.00 -0.00 0.00 0.00 58.31 54.39 3df4 n LYS 42 Cb 0.00 -1.44 -0.06 0.00 0.00 0.00 0.00 35.03 33.53 3df4 n LYS 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3df4 n LYS 43 N 0.01 1.62 -1.36 1.64 0.00 -1.23 -4.60 118.16 114.23 3df4 n LYS 43 Ca 0.15 0.59 -0.36 0.00 0.00 0.00 0.00 58.31 58.70 3df4 n LYS 43 Cb 0.76 -2.35 -0.04 0.00 0.00 0.00 0.00 35.03 33.40 3df4 n LYS 43 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3df4 n HIS 44 N 5.88 2.15 -1.57 5.64 8.25 -1.26 0.67 115.22 134.99 3df4 n HIS 44 Ca 0.25 -2.86 -0.64 0.00 -0.26 0.00 0.00 57.72 54.20 3df4 n HIS 44 Cb 0.20 -2.30 -0.10 0.00 1.12 0.00 0.00 29.99 28.91 3df4 n HIS 44 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3df4 n GLN 45 N 3.18 0.00 -3.34 -0.41 7.27 -1.21 -4.80 117.38 118.06 3df4 n GLN 45 Ca 0.72 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 57.41 3df4 n GLN 45 Cb 0.32 -1.46 -0.06 0.00 2.41 0.00 0.00 30.24 31.45 3df4 n GLN 45 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3df4 s LYS 46 N 3.73 4.23 1.34 3.69 2.20 -1.26 -1.59 119.74 132.09 3df4 s LYS 46 Ca 1.06 0.49 -0.21 0.00 -0.36 0.00 0.00 55.97 56.95 3df4 s LYS 46 Cb -1.46 -3.36 0.33 0.00 -1.51 0.00 0.00 37.83 31.82 3df4 s LYS 46 CO 0.76 0.34 0.77 -0.35 -0.36 0.00 0.00 175.35 176.50 3df4 n PRO 47 N 3.01 -3.99 -3.31 4.03 -0.04 -1.26 -4.86 135.00 128.58 3df4 n PRO 47 Ca -0.09 -1.18 -0.24 0.00 -0.04 0.00 0.00 63.50 61.95 3df4 n PRO 47 Cb 0.52 -1.87 -0.09 0.00 -0.04 0.00 0.00 33.50 32.02 3df4 n PRO 47 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3df4 n VAL 48 N -5.43 -1.07 -0.72 0.52 3.14 -1.26 -5.00 118.33 108.51 3df4 n VAL 48 Ca 0.10 -3.14 0.00 0.00 -2.96 0.00 0.00 64.34 58.34 3df4 n VAL 48 Cb 0.55 -1.33 0.00 0.00 -1.06 0.00 0.00 33.84 32.00 3df4 n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3df4 n PRO 49 N 2.82 0.00 0.00 1.45 -0.02 -1.26 -4.13 135.00 133.86 3df4 n PRO 49 Ca 0.28 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3df4 n PRO 49 Cb 0.49 -0.72 0.00 0.00 -0.02 0.00 0.00 33.50 33.25 3df4 n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3df4 n ALA 50 N 3.15 0.00 -1.28 3.55 0.00 -1.26 -5.10 120.51 119.57 3df4 n ALA 50 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3df4 n ALA 50 Cb 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.71 3df4 n ALA 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3df4 n LEU 51 N 0.00 -0.90 -4.18 0.00 0.00 -1.26 -4.75 117.00 105.91 3df4 n LEU 51 Ca 0.00 2.09 -0.29 0.00 0.00 0.00 0.00 56.01 57.81 3df4 n LEU 51 Cb 0.00 -3.01 -0.09 0.00 0.00 0.00 0.00 43.42 40.32 3df4 n LEU 51 CO 0.00 -2.06 -0.41 0.59 0.00 0.00 0.00 177.39 175.51 3df4 n ASN 52 N -4.09 0.64 -2.19 1.96 4.13 -1.26 -4.73 115.26 109.71 3df4 n ASN 52 Ca -0.08 -1.17 -0.21 0.00 1.68 0.00 0.00 54.58 54.80 3df4 n ASN 52 Cb 0.61 -1.46 0.02 0.00 -1.54 0.00 0.00 39.78 37.41 3df4 n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3df4 n GLN 53 N -4.24 3.32 -0.04 3.52 0.00 -1.26 -4.38 117.38 114.29 3df4 n GLN 53 Ca -0.26 -4.11 -0.12 0.00 0.00 0.00 0.00 57.00 52.51 3df4 n GLN 53 Cb 0.62 -2.17 -0.06 0.00 0.00 0.00 0.00 30.24 28.62 3df4 n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 3df4 h PRO 54 N 2.29 0.23 -0.28 2.61 0.13 -1.94 -3.40 132.00 131.65 3df4 h PRO 54 Ca 0.29 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 65.36 3df4 h PRO 54 Cb 1.43 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.53 3df4 h PRO 54 CO 0.69 0.45 -0.08 0.41 -0.23 0.00 0.00 178.00 179.25 3df4 n GLY 55 N -0.33 -2.84 0.00 1.56 0.00 -1.26 -4.82 105.19 97.49 3df4 n GLY 55 Ca -0.05 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3df4 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df4 n GLY 56 N -1.71 4.71 3.59 -0.02 0.00 -0.62 -4.95 105.19 106.18 3df4 n GLY 56 Ca -0.00 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 3df4 n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3df4 n ILE 57 N -1.95 2.15 -3.56 -0.61 5.41 -1.25 -3.35 119.36 116.20 3df4 n ILE 57 Ca 0.00 -0.50 -0.29 0.00 1.00 0.00 0.00 62.75 62.96 3df4 n ILE 57 Cb 0.00 -1.06 -0.13 0.00 -0.71 0.00 0.00 39.64 37.75 3df4 n ILE 57 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3df4 s VAL 58 N -1.18 0.61 -0.42 1.39 1.01 0.21 -4.86 120.40 117.16 3df4 s VAL 58 Ca 0.61 -1.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.33 3df4 s VAL 58 Cb -0.63 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.24 3df4 s VAL 58 CO 0.59 -0.94 2.35 1.21 0.00 0.00 0.00 175.10 178.31 3df4 n GLU 59 N 3.92 1.29 -4.45 2.72 2.13 -1.25 -3.51 120.64 121.49 3df4 n GLU 59 Ca 0.10 0.19 -0.22 0.00 0.66 0.00 0.00 57.16 57.89 3df4 n GLU 59 Cb 0.36 -3.21 -0.11 0.00 0.27 0.00 0.00 31.44 28.76 3df4 n GLU 59 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3df4 s LYS 60 N 7.54 1.62 0.65 5.31 2.47 -1.24 -4.76 119.74 131.34 3df4 s LYS 60 Ca 1.02 -1.87 -0.11 0.00 -1.56 0.00 0.00 55.97 53.45 3df4 s LYS 60 Cb -0.34 -0.99 0.17 0.00 -1.46 0.00 0.00 37.83 35.21 3df4 s LYS 60 CO 0.32 -0.11 0.46 0.39 0.16 0.00 0.00 175.35 176.57 3df4 n GLU 61 N -0.66 -2.81 0.00 4.03 -0.58 -1.26 0.15 120.64 119.52 3df4 n GLU 61 Ca -0.04 -0.76 0.00 0.00 -0.42 0.00 0.00 57.16 55.95 3df4 n GLU 61 Cb 0.65 -0.85 0.00 0.00 -0.57 0.00 0.00 31.44 30.67 3df4 n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3df4 n ALA 62 N -4.16 0.16 -0.65 0.62 0.00 0.22 -4.48 120.51 112.22 3df4 n ALA 62 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.37 3df4 n ALA 62 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.72 3df4 n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 n ALA 63 N -0.13 -1.26 -2.70 0.00 0.00 -1.26 -5.00 120.51 110.15 3df4 n ALA 63 Ca 0.00 0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 3df4 n ALA 63 Cb 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 3df4 n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3df4 s ILE 64 N -4.30 0.14 -0.02 0.00 1.10 -0.24 -4.87 121.20 113.01 3df4 s ILE 64 Ca 0.00 -1.12 -0.39 0.00 -0.51 0.00 0.00 60.65 58.63 3df4 s ILE 64 Cb 0.00 -0.91 -0.18 0.00 0.15 0.00 0.00 42.46 41.52 3df4 s ILE 64 CO 0.00 -0.62 1.27 0.00 -2.11 0.00 0.00 174.94 173.48 3df4 n GLN 65 N 0.76 0.58 0.07 3.50 1.13 -1.26 -0.31 117.38 121.86 3df4 n GLN 65 Ca -0.19 0.21 0.21 0.00 -1.94 0.00 0.00 57.00 55.29 3df4 n GLN 65 Cb 0.59 -1.79 0.73 0.00 0.11 0.00 0.00 30.24 29.88 3df4 n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 3df4 h VAL 66 N 3.44 0.36 0.00 5.09 3.04 -1.73 0.61 116.25 127.06 3df4 h VAL 66 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3df4 h VAL 66 Cb 1.38 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 3df4 h VAL 66 CO 0.75 0.00 0.00 -0.24 -1.01 0.00 0.00 177.57 177.07 3df4 n SER 67 N -3.71 0.00 -1.19 3.17 2.88 -1.26 -2.22 113.62 111.29 3df4 n SER 67 Ca 0.08 0.18 0.12 0.00 -1.33 0.00 0.00 58.87 57.92 3df4 n SER 67 Cb 0.66 -0.35 0.26 0.00 -0.75 0.00 0.00 64.21 64.03 3df4 n SER 67 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3df4 n ASN 68 N -1.35 3.52 -4.29 -3.46 3.02 0.21 -4.93 115.26 107.99 3df4 n ASN 68 Ca 0.07 -1.99 -0.24 0.00 -0.03 0.00 0.00 54.58 52.39 3df4 n ASN 68 Cb 0.15 -0.33 -0.12 0.00 -0.61 0.00 0.00 39.78 38.87 3df4 n ASN 68 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3df4 s VAL 69 N -1.35 1.71 -0.06 2.41 -7.23 -0.94 -0.91 120.40 114.03 3df4 s VAL 69 Ca 0.42 -1.55 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 3df4 s VAL 69 Cb 0.23 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.64 3df4 s VAL 69 CO 0.32 -0.07 -0.07 0.00 -0.31 0.00 0.00 175.10 174.97 3df4 s ALA 70 N -1.18 0.94 -0.39 1.32 0.00 -1.26 -4.81 121.76 116.38 3df4 s ALA 70 Ca 0.06 -0.23 -0.28 0.00 0.00 0.00 0.00 51.96 51.51 3df4 s ALA 70 Cb -0.10 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3df4 s ALA 70 CO 0.04 -0.07 1.84 0.96 0.00 0.00 0.00 175.76 178.53 3df4 s ILE 71 N 1.05 3.43 0.04 0.00 -4.36 -1.26 0.22 121.20 120.32 3df4 s ILE 71 Ca -0.08 0.41 -0.30 0.00 -0.26 0.00 0.00 60.65 60.41 3df4 s ILE 71 Cb -0.14 -3.67 -0.09 0.00 1.25 0.00 0.00 42.46 39.81 3df4 s ILE 71 CO -0.00 -0.48 1.84 0.12 0.24 0.00 0.00 174.94 176.65 3df4 s PHE 72 N 7.53 1.75 -0.49 1.37 5.36 0.17 -4.08 117.98 129.59 3df4 s PHE 72 Ca 0.78 -0.14 0.24 0.00 -0.96 0.00 0.00 56.93 56.85 3df4 s PHE 72 Cb -0.20 -4.13 0.37 0.00 -0.34 0.00 0.00 43.02 38.71 3df4 s PHE 72 CO 0.31 -4.88 1.48 -2.95 -1.46 0.00 0.00 175.22 167.71 3df4 h ASN 73 N 9.65 0.00 0.00 6.13 -0.00 0.14 -3.45 115.58 128.05 3df4 h ASN 73 Ca -0.46 -0.03 0.00 0.00 -0.00 0.00 0.00 56.30 55.81 3df4 h ASN 73 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.54 3df4 h ASN 73 CO 0.94 0.02 0.00 0.00 -0.00 0.00 0.00 177.43 178.39 3df4 n ALA 74 N -2.00 0.00 0.29 4.14 0.00 -1.26 -4.53 120.51 117.14 3df4 n ALA 74 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.57 3df4 n ALA 74 Cb 0.50 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.41 3df4 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 n ALA 75 N 0.00 1.38 -0.66 0.00 0.00 -1.26 -3.12 120.51 116.84 3df4 n ALA 75 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3df4 n ALA 75 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3df4 n ALA 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3df4 n THR 76 N -2.10 0.00 -2.70 0.00 -2.24 -1.26 -5.04 114.28 100.93 3df4 n THR 76 Ca 0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.72 3df4 n THR 76 Cb 0.13 1.39 0.03 0.00 -2.10 0.00 0.00 70.33 69.77 3df4 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df4 n GLY 77 N 0.00 0.34 0.00 3.38 0.00 -1.18 -5.01 105.19 102.72 3df4 n GLY 77 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3df4 n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3df4 n LYS 78 N -2.02 0.00 -4.06 1.61 0.00 -1.26 -4.95 118.16 107.48 3df4 n LYS 78 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.04 3df4 n LYS 78 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.53 3df4 n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df4 s ALA 79 N -1.00 3.70 -0.37 3.14 0.00 -1.26 0.84 121.76 126.81 3df4 s ALA 79 Ca 0.00 -1.28 0.12 0.00 0.00 0.00 0.00 51.96 50.80 3df4 s ALA 79 Cb 0.00 -1.47 0.37 0.00 0.00 0.00 0.00 23.12 22.02 3df4 s ALA 79 CO 0.00 0.34 0.85 -0.25 0.00 0.00 0.00 175.76 176.70 3df4 n ASP 80 N -0.97 0.45 0.00 0.00 10.43 -1.26 -4.94 116.55 120.28 3df4 n ASP 80 Ca -0.08 -3.02 0.00 0.00 2.57 0.00 0.00 54.79 54.26 3df4 n ASP 80 Cb 0.56 -0.22 0.00 0.00 1.84 0.00 0.00 41.12 43.30 3df4 n ASP 80 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3df4 n ARG 81 N 0.19 0.00 0.00 -1.24 3.00 -1.26 -0.14 116.66 117.21 3df4 n ARG 81 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.02 3df4 n ARG 81 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.16 3df4 n ARG 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3df4 n VAL 82 N 0.00 0.00 -2.75 1.55 0.31 -1.26 -4.80 118.33 111.37 3df4 n VAL 82 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 3df4 n VAL 82 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 3df4 n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3df4 n GLY 83 N 0.06 -1.24 3.61 2.92 0.00 -1.20 0.81 105.19 110.14 3df4 n GLY 83 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.06 3df4 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3df4 s PHE 84 N -1.08 -0.72 0.00 1.61 2.99 -1.26 -4.17 117.98 115.35 3df4 s PHE 84 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 56.93 58.33 3df4 s PHE 84 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 43.02 43.45 3df4 s PHE 84 CO 0.00 -0.36 0.00 -2.13 -0.00 0.00 0.00 175.22 172.73 3df4 n ARG 85 N 4.12 -2.06 0.00 0.44 0.00 -0.41 -5.00 116.66 113.75 3df4 n ARG 85 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 3df4 n ARG 85 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 3df4 n ARG 85 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3df4 n PHE 86 N -1.27 0.00 -0.08 -0.14 -0.00 -1.23 -4.02 117.46 110.72 3df4 n PHE 86 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.31 3df4 n PHE 86 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.40 3df4 n PHE 86 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 3df4 h GLU 87 N 0.00 0.00 0.00 -4.13 -0.00 -1.94 -3.49 114.58 105.03 3df4 h GLU 87 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 59.36 58.91 3df4 h GLU 87 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 28.75 28.80 3df4 h GLU 87 CO 0.00 0.67 0.02 -0.40 -0.00 0.00 0.00 179.01 179.30 3df4 n ASP 88 N -4.55 1.66 -4.55 3.06 5.75 -1.26 -4.94 116.55 111.72 3df4 n ASP 88 Ca -0.18 -2.28 -0.14 0.00 -0.01 0.00 0.00 54.79 52.17 3df4 n ASP 88 Cb 0.47 -0.51 -0.09 0.00 -1.03 0.00 0.00 41.12 39.96 3df4 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3df4 n GLY 89 N -2.05 -0.20 3.15 6.12 0.00 -1.26 -4.70 105.19 106.26 3df4 n GLY 89 Ca 0.16 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.51 3df4 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df4 s LYS 90 N 8.72 0.07 0.14 1.61 1.02 -1.26 -5.06 119.74 124.98 3df4 s LYS 90 Ca 0.95 0.09 -0.23 0.00 0.02 0.00 0.00 55.97 56.80 3df4 s LYS 90 Cb -0.19 0.04 -0.01 0.00 -0.52 0.00 0.00 37.83 37.16 3df4 s LYS 90 CO 0.13 -0.10 1.24 1.17 -0.92 0.00 0.00 175.35 176.87 3df4 n LYS 91 N 5.24 -0.32 -2.03 1.68 4.81 -1.26 -4.23 118.16 122.05 3df4 n LYS 91 Ca 0.02 1.22 0.00 0.00 -0.87 0.00 0.00 58.31 58.68 3df4 n LYS 91 Cb 0.57 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.82 3df4 n LYS 91 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3df4 n VAL 92 N -5.04-11.13 -3.33 3.15 0.31 -1.26 -1.29 118.33 99.74 3df4 n VAL 92 Ca 0.03 3.00 -0.37 0.00 -0.01 0.00 0.00 64.34 67.00 3df4 n VAL 92 Cb 0.23 -4.71 -0.06 0.00 -0.91 0.00 0.00 33.84 28.40 3df4 n VAL 92 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3df4 s ARG 93 N -0.70 4.06 -0.03 5.55 0.52 -1.26 -1.77 118.95 125.32 3df4 s ARG 93 Ca 0.00 0.58 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 3df4 s ARG 93 Cb 0.00 -3.07 0.03 0.00 0.52 0.00 0.00 34.95 32.43 3df4 s ARG 93 CO 0.00 0.55 -0.01 -0.59 0.02 0.00 0.00 175.30 175.28 3df4 s PHE 94 N -1.30 0.41 1.12 -0.53 -0.12 0.24 -2.73 117.98 115.07 3df4 s PHE 94 Ca 0.33 -0.04 -0.18 0.00 -0.05 0.00 0.00 56.93 56.99 3df4 s PHE 94 Cb -0.17 -0.47 0.13 0.00 -0.63 0.00 0.00 43.02 41.88 3df4 s PHE 94 CO 0.19 -0.15 0.17 1.19 -0.05 0.00 0.00 175.22 176.57 3df4 n PHE 95 N 4.15 -1.40 -3.31 3.49 3.01 -1.26 -3.28 117.46 118.86 3df4 n PHE 95 Ca -0.26 0.10 -0.22 0.00 1.01 0.00 0.00 57.45 58.09 3df4 n PHE 95 Cb 0.50 -1.59 0.04 0.00 -0.01 0.00 0.00 39.48 38.42 3df4 n PHE 95 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3df4 s LYS 96 N -3.59 2.32 0.00 -1.08 -0.14 0.80 -3.16 119.74 114.89 3df4 s LYS 96 Ca 0.58 -1.74 0.00 0.00 -1.36 0.00 0.00 55.97 53.45 3df4 s LYS 96 Cb -0.14 -2.48 0.00 0.00 -1.68 0.00 0.00 37.83 33.53 3df4 s LYS 96 CO 0.66 -0.74 0.00 -1.13 -0.76 0.00 0.00 175.35 173.38 3df4 n SER 97 N -2.05 0.00 0.00 2.83 3.41 -1.26 -3.74 113.62 112.81 3df4 n SER 97 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3df4 n SER 97 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3df4 n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3df4 n ASN 98 N 0.36 0.33 -3.34 4.04 0.23 -1.26 -5.00 115.26 110.62 3df4 n ASN 98 Ca 0.00 -0.65 -0.23 0.00 -0.53 0.00 0.00 54.58 53.17 3df4 n ASN 98 Cb 0.00 0.43 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 3df4 n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3df4 n SER 99 N -0.43 -4.04 0.33 0.53 7.64 -1.19 -4.77 113.62 111.69 3df4 n SER 99 Ca 0.00 -0.39 0.16 0.00 1.01 0.00 0.00 58.87 59.65 3df4 n SER 99 Cb 0.03 -3.33 0.88 0.00 -1.01 0.00 0.00 64.21 60.77 3df4 n SER 99 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3df4 h GLU 100 N -1.05 0.00 -5.87 1.43 4.57 -1.84 -3.45 114.58 108.37 3df4 h GLU 100 Ca -0.45 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.55 3df4 h GLU 100 Cb 1.30 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.90 3df4 h GLU 100 CO 0.54 0.00 -0.81 2.41 -1.18 0.00 0.00 179.01 179.98 3df4 n THR 101 N -2.89 -7.80 0.00 0.32 -1.04 -1.26 -4.83 114.28 96.77 3df4 n THR 101 Ca -0.02 0.48 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 3df4 n THR 101 Cb 0.32 -5.57 0.00 0.00 -1.82 0.00 0.00 70.33 63.26 3df4 n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43