#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kdf s GLN 2 N 0.00 4.18 0.17 3.52 0.74 -1.26 -5.07 119.66 121.94 1kdf s GLN 2 Ca 0.00 -0.00 -0.23 0.00 0.05 0.00 0.00 55.36 55.18 1kdf s GLN 2 Cb 0.00 -3.49 -0.08 0.00 1.10 0.00 0.00 33.01 30.55 1kdf s GLN 2 CO 0.00 0.12 0.74 0.00 -0.55 0.00 0.00 175.29 175.60 1kdf s ALA 3 N 0.84 3.46 0.44 1.58 0.00 -1.26 -4.66 121.76 122.16 1kdf s ALA 3 Ca 0.14 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.40 1kdf s ALA 3 Cb -0.13 -2.88 0.04 0.00 0.00 0.00 0.00 23.12 20.14 1kdf s ALA 3 CO 0.04 0.32 0.30 0.43 0.00 0.00 0.00 175.76 176.85 1kdf n SER 4 N 1.35 2.50 -4.34 0.00 7.64 -0.85 -2.66 113.62 117.26 1kdf n SER 4 Ca -0.05 -2.57 -0.46 0.00 1.01 0.00 0.00 58.87 56.80 1kdf n SER 4 Cb 0.50 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 1kdf n SER 4 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1kdf s VAL 5 N -2.25 5.25 0.23 0.44 1.01 -0.64 -2.81 120.40 121.63 1kdf s VAL 5 Ca 0.23 -1.79 -0.11 0.00 0.00 0.00 0.00 61.98 60.31 1kdf s VAL 5 Cb -0.02 -4.46 -0.07 0.00 0.00 0.00 0.00 36.38 31.82 1kdf s VAL 5 CO 0.14 -1.05 0.58 -0.69 0.00 0.00 0.00 175.10 174.09 1kdf s VAL 6 N 1.35 4.88 -0.02 2.92 1.01 -1.04 -1.61 120.40 127.89 1kdf s VAL 6 Ca 0.13 0.59 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 1kdf s VAL 6 Cb -0.19 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 1kdf s VAL 6 CO -0.02 -0.05 1.58 0.00 0.00 0.00 0.00 175.10 176.61 1kdf s ALA 7 N -1.80 3.63 -0.81 5.51 0.00 -1.08 -2.66 121.76 124.55 1kdf s ALA 7 Ca 0.47 0.96 0.24 0.00 0.00 0.00 0.00 51.96 53.64 1kdf s ALA 7 Cb -0.12 -3.70 0.37 0.00 0.00 0.00 0.00 23.12 19.68 1kdf s ALA 7 CO 0.20 -1.22 1.31 -1.71 0.00 0.00 0.00 175.76 174.35 1kdf n ASN 8 N 6.39 0.59 -3.63 0.00 5.15 -1.20 -2.28 115.26 120.27 1kdf n ASN 8 Ca 0.16 -0.12 -0.12 0.00 -0.60 0.00 0.00 54.58 53.90 1kdf n ASN 8 Cb 0.43 0.32 -0.05 0.00 -0.53 0.00 0.00 39.78 39.95 1kdf n ASN 8 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1kdf s GLN 9 N -3.09 1.71 -0.68 1.20 0.74 -1.26 -4.89 119.66 113.39 1kdf s GLN 9 Ca 0.08 -1.52 -0.26 0.00 0.05 0.00 0.00 55.36 53.71 1kdf s GLN 9 Cb 0.16 0.45 -0.02 0.00 1.10 0.00 0.00 33.01 34.69 1kdf s GLN 9 CO 0.73 -0.70 1.81 -1.17 -0.55 0.00 0.00 175.29 175.41 1kdf s LEU 10 N -3.13 3.26 -0.42 3.68 2.96 -1.26 -3.98 118.68 119.79 1kdf s LEU 10 Ca 0.27 0.07 -0.20 0.00 -0.22 0.00 0.00 54.13 54.05 1kdf s LEU 10 Cb -0.00 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.17 1kdf s LEU 10 CO 0.14 -2.37 0.62 -0.63 -1.32 0.00 0.00 176.35 172.79 1kdf s ILE 11 N 8.86 4.87 0.77 6.68 1.01 -1.03 -5.03 121.20 137.32 1kdf s ILE 11 Ca 0.64 0.15 -0.10 0.00 0.00 0.00 0.00 60.65 61.33 1kdf s ILE 11 Cb -0.11 -4.16 0.07 0.00 0.01 0.00 0.00 42.46 38.27 1kdf s ILE 11 CO 0.16 -0.53 1.13 -2.16 0.00 0.00 0.00 174.94 173.54 1kdf s PRO 12 N 2.73 2.12 0.59 2.79 0.04 -1.26 -1.92 135.00 140.07 1kdf s PRO 12 Ca 0.22 0.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.15 1kdf s PRO 12 Cb -0.14 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1kdf s PRO 12 CO 0.18 -1.44 1.04 -1.50 0.04 0.00 0.00 177.00 175.32 1kdf s ILE 13 N -3.47 4.01 -1.64 0.56 2.07 -1.26 -3.58 121.20 117.89 1kdf s ILE 13 Ca 0.61 0.92 -0.03 0.00 -1.41 0.00 0.00 60.65 60.74 1kdf s ILE 13 Cb -0.11 -3.47 0.00 0.00 0.13 0.00 0.00 42.46 39.01 1kdf s ILE 13 CO 0.48 -0.60 0.42 0.59 -1.91 0.00 0.00 174.94 173.92 1kdf n ASN 14 N -2.06 -6.11 -4.18 4.50 3.02 -1.26 -4.98 115.26 104.19 1kdf n ASN 14 Ca 0.08 -0.20 -0.15 0.00 -0.03 0.00 0.00 54.58 54.28 1kdf n ASN 14 Cb 0.53 -4.98 -0.11 0.00 -0.61 0.00 0.00 39.78 34.61 1kdf n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1kdf s THR 15 N -3.14 0.99 0.27 3.41 2.01 -1.24 -5.02 115.64 112.92 1kdf s THR 15 Ca 0.21 -1.61 -0.12 0.00 0.31 0.00 0.00 61.69 60.48 1kdf s THR 15 Cb -0.09 -1.33 -0.08 0.00 0.01 0.00 0.00 72.50 71.01 1kdf s THR 15 CO 0.26 -0.51 0.62 0.00 -0.69 0.00 0.00 174.62 174.30 1kdf s ALA 16 N -2.28 3.47 0.70 7.40 0.00 -1.26 -3.24 121.76 126.55 1kdf s ALA 16 Ca 0.05 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 51.77 1kdf s ALA 16 Cb -0.04 -2.57 0.04 0.00 0.00 0.00 0.00 23.12 20.56 1kdf s ALA 16 CO 0.01 0.43 1.05 -0.51 0.00 0.00 0.00 175.76 176.74 1kdf s LEU 17 N -2.90 2.85 0.22 0.00 1.43 -0.61 -4.81 118.68 114.87 1kdf s LEU 17 Ca 0.50 0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 54.23 1kdf s LEU 17 Cb -0.11 -3.42 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 1kdf s LEU 17 CO 0.20 -1.50 0.40 0.42 0.23 0.00 0.00 176.35 176.10 1kdf s THR 18 N -3.29 0.01 0.42 5.49 -4.23 -1.26 -1.36 115.64 111.42 1kdf s THR 18 Ca 0.59 -1.44 0.09 0.00 -1.18 0.00 0.00 61.69 59.75 1kdf s THR 18 Cb -0.11 -2.13 0.22 0.00 1.34 0.00 0.00 72.50 71.81 1kdf s THR 18 CO 0.47 -0.06 2.01 -0.07 -0.54 0.00 0.00 174.62 176.43 1kdf h LEU 19 N 2.35 0.29 -1.07 4.79 4.07 -1.94 -1.22 115.31 122.59 1kdf h LEU 19 Ca -0.28 -0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.56 1kdf h LEU 19 Cb 1.25 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 1kdf h LEU 19 CO 0.40 0.31 -0.42 0.58 -1.08 0.00 0.00 178.44 178.23 1kdf h VAL 20 N 0.32 1.14 -0.93 1.22 2.07 -2.00 -2.81 116.25 115.26 1kdf h VAL 20 Ca 0.08 -1.54 -0.49 0.00 0.82 0.00 0.00 66.70 65.57 1kdf h VAL 20 Cb 0.15 1.87 -0.29 0.00 -1.52 0.00 0.00 31.29 31.50 1kdf h VAL 20 CO -0.00 0.42 0.63 0.23 0.02 0.00 0.00 177.57 178.86 1kdf n MET 21 N -3.80 2.19 -3.76 1.57 2.81 -0.47 -4.28 117.12 111.38 1kdf n MET 21 Ca -0.01 -2.81 -0.13 0.00 -1.81 0.00 0.00 57.70 52.94 1kdf n MET 21 Cb 0.49 -2.10 -0.10 0.00 -0.71 0.00 0.00 33.22 30.79 1kdf n MET 21 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1kdf s MET 22 N -3.10 0.51 0.16 0.03 1.00 -1.06 -3.27 119.30 113.56 1kdf s MET 22 Ca 0.53 0.20 -0.23 0.00 0.00 0.00 0.00 55.69 56.20 1kdf s MET 22 Cb 0.45 0.24 0.07 0.00 0.00 0.00 0.00 34.83 35.58 1kdf s MET 22 CO 0.09 -0.10 0.59 -0.98 0.00 0.00 0.00 175.02 174.62 1kdf s ARG 23 N -0.44 1.27 -0.39 2.03 1.70 -1.09 -4.72 118.95 117.31 1kdf s ARG 23 Ca -0.06 -0.48 -0.18 0.00 -0.47 0.00 0.00 55.73 54.55 1kdf s ARG 23 Cb -0.04 0.58 0.01 0.00 -0.57 0.00 0.00 34.95 34.94 1kdf s ARG 23 CO 0.02 -0.55 0.50 -1.12 -1.08 0.00 0.00 175.30 173.07 1kdf s SER 24 N -2.74 6.27 -0.00 -2.89 0.01 -1.26 -2.51 113.70 110.57 1kdf s SER 24 Ca 0.01 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 56.82 1kdf s SER 24 Cb -0.01 -2.26 0.02 0.00 0.21 0.00 0.00 66.02 63.98 1kdf s SER 24 CO -0.13 -0.57 0.26 -0.70 0.41 0.00 0.00 173.24 172.51 1kdf s GLU 25 N 2.37 0.63 0.04 12.44 2.12 -1.12 -4.99 118.70 130.18 1kdf s GLU 25 Ca 0.17 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 1kdf s GLU 25 Cb -0.16 0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.47 1kdf s GLU 25 CO 0.15 -0.17 0.98 0.08 -0.54 0.00 0.00 175.26 175.75 1kdf s VAL 26 N -1.45 4.75 0.33 3.70 1.01 -1.26 -2.01 120.40 125.46 1kdf s VAL 26 Ca -0.13 2.06 -0.13 0.00 0.00 0.00 0.00 61.98 63.78 1kdf s VAL 26 Cb -0.06 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 32.03 1kdf s VAL 26 CO 0.03 0.21 0.64 0.68 0.00 0.00 0.00 175.10 176.65 1kdf s VAL 27 N 0.69 0.00 0.02 2.92 -7.23 -1.26 -4.97 120.40 110.58 1kdf s VAL 27 Ca 0.50 -1.23 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 1kdf s VAL 27 Cb -0.22 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 1kdf s VAL 27 CO 0.29 0.00 -0.09 0.28 -0.31 0.00 0.00 175.10 175.26 1kdf s THR 28 N -3.15 0.71 0.76 5.32 -1.32 -1.26 -4.33 115.64 112.38 1kdf s THR 28 Ca 0.20 -0.76 -0.11 0.00 -1.21 0.00 0.00 61.69 59.81 1kdf s THR 28 Cb -0.03 -0.67 0.06 0.00 -1.51 0.00 0.00 72.50 70.34 1kdf s THR 28 CO 0.12 -0.06 1.13 -2.16 -2.21 0.00 0.00 174.62 171.43 1kdf s PRO 29 N -0.91 2.25 -0.44 7.08 0.04 -1.26 -4.86 135.00 136.89 1kdf s PRO 29 Ca -0.02 0.15 -0.27 0.00 0.04 0.00 0.00 61.00 60.90 1kdf s PRO 29 Cb -0.07 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1kdf s PRO 29 CO 0.00 -1.38 2.16 0.08 0.04 0.00 0.00 177.00 177.91 1kdf s VAL 30 N -3.46 3.15 0.00 -0.36 1.01 -1.26 -4.89 120.40 114.59 1kdf s VAL 30 Ca 0.60 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1kdf s VAL 30 Cb -0.11 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1kdf s VAL 30 CO 0.49 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1kdf n GLY 31 N 5.81 0.79 3.76 4.51 0.00 -1.26 -5.05 105.19 113.74 1kdf n GLY 31 Ca 0.30 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 1kdf n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kdf s ILE 32 N 4.02 3.25 0.89 -0.61 1.01 -0.91 -4.96 121.20 123.88 1kdf s ILE 32 Ca 0.00 1.23 -0.14 0.00 0.00 0.00 0.00 60.65 61.74 1kdf s ILE 32 Cb 0.00 -3.78 0.15 0.00 0.01 0.00 0.00 42.46 38.83 1kdf s ILE 32 CO 0.00 0.28 1.25 -2.16 0.00 0.00 0.00 174.94 174.31 1kdf s PRO 33 N -1.36 1.24 -0.10 2.79 0.04 -1.26 -1.61 135.00 134.73 1kdf s PRO 33 Ca 0.47 -0.22 0.09 0.00 0.04 0.00 0.00 61.00 61.38 1kdf s PRO 33 Cb -0.35 -1.91 0.42 0.00 0.04 0.00 0.00 34.50 32.71 1kdf s PRO 33 CO 0.44 -2.03 1.20 0.00 0.04 0.00 0.00 177.00 176.65 1kdf n ALA 34 N -3.54 3.07 0.01 8.56 0.00 -1.09 -3.93 120.51 123.60 1kdf n ALA 34 Ca 0.12 -0.96 -0.04 0.00 0.00 0.00 0.00 53.44 52.56 1kdf n ALA 34 Cb 0.60 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 1kdf n ALA 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1kdf n GLU 35 N 0.41 0.63 -1.19 0.00 1.02 -1.26 -4.03 120.64 116.22 1kdf n GLU 35 Ca 0.15 0.25 -0.22 0.00 -0.02 0.00 0.00 57.16 57.32 1kdf n GLU 35 Cb 0.67 -1.79 0.18 0.00 -0.02 0.00 0.00 31.44 30.48 1kdf n GLU 35 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1kdf n ASP 36 N -2.95 3.61 -0.10 1.62 8.00 -1.25 -4.63 116.55 120.85 1kdf n ASP 36 Ca -0.13 -3.63 -0.07 0.00 0.71 0.00 0.00 54.79 51.67 1kdf n ASP 36 Cb 0.94 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1kdf n ASP 36 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1kdf h ILE 37 N 1.01 0.98 0.00 0.53 2.04 -1.80 -1.44 117.51 118.82 1kdf h ILE 37 Ca 0.59 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.34 1kdf h ILE 37 Cb 2.75 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 1kdf h ILE 37 CO 1.03 0.06 0.00 1.55 0.00 0.00 0.00 178.15 180.79 1kdf h PRO 38 N 0.34 0.00 0.00 2.37 0.13 -1.92 -3.06 132.00 129.87 1kdf h PRO 38 Ca 0.14 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.15 1kdf h PRO 38 Cb 0.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.17 1kdf h PRO 38 CO -0.10 0.00 -0.59 0.00 -0.23 0.00 0.00 178.00 177.08 1kdf h ARG 39 N 0.00 0.00 -1.04 0.86 3.08 -1.73 -3.24 114.38 112.31 1kdf h ARG 39 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1kdf h ARG 39 Cb 0.70 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.48 1kdf h ARG 39 CO 0.00 0.58 0.70 1.28 -1.07 0.00 0.00 179.97 181.47 1kdf n LEU 40 N -3.25 6.97 -4.77 3.04 4.32 -0.60 -4.95 117.00 117.76 1kdf n LEU 40 Ca 0.02 -3.78 -0.39 0.00 -0.02 0.00 0.00 56.01 51.84 1kdf n LEU 40 Cb 0.77 -0.90 -0.06 0.00 -1.62 0.00 0.00 43.42 41.61 1kdf n LEU 40 CO 0.42 1.22 0.32 -0.69 -1.22 0.00 0.00 177.39 177.43 1kdf s VAL 41 N -3.72 4.82 -1.32 4.08 1.01 -1.23 -3.94 120.40 120.10 1kdf s VAL 41 Ca 0.56 1.31 -0.08 0.00 0.00 0.00 0.00 61.98 63.77 1kdf s VAL 41 Cb 0.45 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1kdf s VAL 41 CO 0.05 0.45 1.08 -1.20 0.00 0.00 0.00 175.10 175.47 1kdf n SER 42 N 2.44 -6.18 -4.68 3.32 7.64 -0.46 -4.92 113.62 110.77 1kdf n SER 42 Ca -0.07 -0.49 -0.36 0.00 1.01 0.00 0.00 58.87 58.96 1kdf n SER 42 Cb 0.51 -4.83 -0.09 0.00 -1.01 0.00 0.00 64.21 58.79 1kdf n SER 42 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1kdf s MET 43 N -6.19 4.12 0.09 1.43 1.00 -1.25 -4.59 119.30 113.90 1kdf s MET 43 Ca 0.53 -0.22 -0.30 0.00 0.00 0.00 0.00 55.69 55.70 1kdf s MET 43 Cb -0.24 -3.50 -0.05 0.00 0.00 0.00 0.00 34.83 31.04 1kdf s MET 43 CO 0.66 0.14 0.96 -0.65 0.00 0.00 0.00 175.02 176.13 1kdf s GLN 44 N 0.84 4.67 0.30 2.03 -0.21 -1.26 -1.58 119.66 124.45 1kdf s GLN 44 Ca 0.09 1.45 -0.01 0.00 0.02 0.00 0.00 55.36 56.90 1kdf s GLN 44 Cb -0.13 -3.39 -0.04 0.00 1.00 0.00 0.00 33.01 30.45 1kdf s GLN 44 CO 0.03 0.16 0.51 0.14 -2.12 0.00 0.00 175.29 174.01 1kdf s VAL 45 N 0.19 5.11 0.12 1.09 -7.23 -1.20 -3.30 120.40 115.18 1kdf s VAL 45 Ca 0.48 -0.31 0.06 0.00 -1.81 0.00 0.00 61.98 60.40 1kdf s VAL 45 Cb -0.23 -3.80 -0.21 0.00 0.56 0.00 0.00 36.38 32.70 1kdf s VAL 45 CO 0.29 -0.41 1.28 -0.55 -0.31 0.00 0.00 175.10 175.40 1kdf h ASN 46 N 1.26 0.04 -4.56 4.85 -1.07 -1.87 -3.35 115.58 110.88 1kdf h ASN 46 Ca -0.49 -0.04 -0.46 0.00 0.07 0.00 0.00 56.30 55.38 1kdf h ASN 46 Cb 1.21 -0.01 -0.11 0.00 -2.07 0.00 0.00 38.32 37.33 1kdf h ASN 46 CO 0.64 1.02 -0.41 -2.11 0.07 0.00 0.00 177.43 176.64 1kdf n ARG 47 N -3.39 0.51 -2.88 4.14 1.85 -1.26 -4.79 116.66 110.85 1kdf n ARG 47 Ca -0.01 -2.99 -0.41 0.00 -1.00 0.00 0.00 57.85 53.44 1kdf n ARG 47 Cb 0.93 1.95 -0.04 0.00 -1.05 0.00 0.00 32.46 34.25 1kdf n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kdf s ALA 48 N -3.06 3.43 -0.29 2.89 0.00 -1.26 -4.40 121.76 119.06 1kdf s ALA 48 Ca 0.25 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1kdf s ALA 48 Cb 0.01 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.98 1kdf s ALA 48 CO 0.18 -0.48 -0.04 0.08 0.00 0.00 0.00 175.76 175.50 1kdf s VAL 49 N 1.72 2.62 0.68 0.00 1.01 -0.81 -4.95 120.40 120.67 1kdf s VAL 49 Ca 0.41 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.71 1kdf s VAL 49 Cb -0.17 -2.55 0.16 0.00 0.00 0.00 0.00 36.38 33.81 1kdf s VAL 49 CO 0.16 -0.12 0.93 -0.81 0.00 0.00 0.00 175.10 175.26 1kdf n PRO 50 N 4.52 -0.88 -1.99 2.72 -0.04 -1.26 -2.47 135.00 135.60 1kdf n PRO 50 Ca -0.12 -1.46 -0.36 0.00 -0.04 0.00 0.00 63.50 61.52 1kdf n PRO 50 Cb 0.43 -0.95 0.04 0.00 -0.04 0.00 0.00 33.50 32.97 1kdf n PRO 50 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1kdf s LEU 51 N 0.00 3.65 -0.89 1.53 1.02 -1.26 -3.78 118.68 118.95 1kdf s LEU 51 Ca 0.53 2.37 -0.03 0.00 0.02 0.00 0.00 54.13 57.01 1kdf s LEU 51 Cb -0.01 -4.60 -0.04 0.00 0.02 0.00 0.00 46.19 41.56 1kdf s LEU 51 CO 0.37 -1.61 0.77 0.61 0.02 0.00 0.00 176.35 176.51 1kdf n GLY 52 N 0.46 -0.61 2.85 -3.19 0.00 -0.96 -4.94 105.19 98.80 1kdf n GLY 52 Ca 0.13 0.30 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 1kdf n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kdf s THR 53 N -3.31 -0.16 0.12 2.61 2.01 -1.25 -4.93 115.64 110.74 1kdf s THR 53 Ca 0.26 0.29 -0.31 0.00 0.31 0.00 0.00 61.69 62.24 1kdf s THR 53 Cb -0.03 -0.25 -0.10 0.00 0.01 0.00 0.00 72.50 72.13 1kdf s THR 53 CO 0.60 0.12 1.76 -0.89 -0.69 0.00 0.00 174.62 175.52 1kdf s THR 54 N 1.81 2.59 -0.40 -0.82 2.01 -1.26 -2.62 115.64 116.95 1kdf s THR 54 Ca -0.02 0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.91 1kdf s THR 54 Cb -0.12 -3.11 0.02 0.00 0.01 0.00 0.00 72.50 69.30 1kdf s THR 54 CO -0.05 0.00 0.85 -0.22 -0.69 0.00 0.00 174.62 174.51 1kdf s LEU 55 N 2.44 4.09 0.31 4.42 2.96 -0.63 -4.99 118.68 127.27 1kdf s LEU 55 Ca 0.78 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.99 1kdf s LEU 55 Cb -0.45 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 1kdf s LEU 55 CO 0.35 -0.86 0.51 -0.04 -1.32 0.00 0.00 176.35 174.99 1kdf s MET 56 N 3.36 3.50 0.22 1.98 -1.94 -1.26 -2.15 119.30 123.01 1kdf s MET 56 Ca 0.34 -0.36 0.14 0.00 -1.71 0.00 0.00 55.69 54.10 1kdf s MET 56 Cb -0.12 -2.71 -0.01 0.00 2.01 0.00 0.00 34.83 34.00 1kdf s MET 56 CO 0.20 0.22 1.34 -1.00 -0.01 0.00 0.00 175.02 175.77 1kdf h PRO 57 N 1.02 0.00 -0.15 2.03 0.13 -1.90 -3.15 132.00 129.98 1kdf h PRO 57 Ca -0.50 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 1kdf h PRO 57 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1kdf h PRO 57 CO 0.62 0.56 -0.35 0.38 -0.23 0.00 0.00 178.00 178.99 1kdf h ASP 58 N 0.00 0.32 0.61 1.44 3.04 -1.96 -2.88 116.42 116.99 1kdf h ASP 58 Ca -0.03 -0.12 -0.23 0.00 -3.24 0.00 0.00 57.03 53.42 1kdf h ASP 58 Cb 1.48 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 39.68 1kdf h ASP 58 CO 0.07 0.65 -1.01 0.24 -2.04 0.00 0.00 179.24 177.15 1kdf h MET 59 N 0.27 0.23 -6.56 4.15 2.86 -1.92 -3.42 114.93 110.53 1kdf h MET 59 Ca 0.03 -0.30 -0.55 0.00 -2.06 0.00 0.00 59.70 56.82 1kdf h MET 59 Cb 0.74 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.42 1kdf h MET 59 CO 0.06 1.06 0.99 0.08 1.06 0.00 0.00 176.91 180.15 1kdf s VAL 60 N -3.00 3.99 -0.04 -2.22 1.01 -1.09 -2.43 120.40 116.62 1kdf s VAL 60 Ca -0.03 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1kdf s VAL 60 Cb 0.09 -4.73 -0.05 0.00 0.00 0.00 0.00 36.38 31.68 1kdf s VAL 60 CO 0.85 -1.37 1.59 -0.54 0.00 0.00 0.00 175.10 175.62 1kdf s LYS 61 N 5.02 4.20 0.00 2.72 1.02 -1.21 -2.21 119.74 129.29 1kdf s LYS 61 Ca 0.43 2.13 0.00 0.00 0.02 0.00 0.00 55.97 58.55 1kdf s LYS 61 Cb -0.08 -3.87 0.00 0.00 -0.52 0.00 0.00 37.83 33.37 1kdf s LYS 61 CO 0.25 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.30 1kdf n GLY 62 N 4.01 1.95 3.67 -3.33 0.00 -1.26 -4.65 105.19 105.57 1kdf n GLY 62 Ca 0.16 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1kdf n GLY 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kdf s TYR 63 N -1.70 3.39 -0.06 1.61 5.04 -0.94 -5.05 117.35 119.65 1kdf s TYR 63 Ca 0.00 0.90 -0.01 0.00 -2.44 0.00 0.00 57.07 55.51 1kdf s TYR 63 Cb 0.00 -2.75 0.03 0.00 0.35 0.00 0.00 41.96 39.59 1kdf s TYR 63 CO 0.00 -0.12 0.01 0.00 -1.34 0.00 0.00 175.55 174.10 1kdf s ALA 64 N 1.69 0.58 0.00 3.97 0.00 -1.26 -4.57 121.76 122.18 1kdf s ALA 64 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1kdf s ALA 64 Cb -0.16 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1kdf s ALA 64 CO 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 175.76 175.44