#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc4 s LYS 13 N 0.00 1.60 0.22 5.56 0.00 -1.26 -5.17 119.74 120.69 3kc4 s LYS 13 Ca 0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 55.97 55.03 3kc4 s LYS 13 Cb 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 37.83 38.30 3kc4 s LYS 13 CO 0.00 -0.74 0.13 1.14 0.00 0.00 0.00 175.35 175.88 3kc4 s GLN 14 N -3.21 1.27 0.00 1.78 1.03 -1.26 -4.39 119.66 114.87 3kc4 s GLN 14 Ca 0.13 -1.67 0.00 0.00 0.04 0.00 0.00 55.36 53.86 3kc4 s GLN 14 Cb -0.04 0.16 0.00 0.00 0.03 0.00 0.00 33.01 33.17 3kc4 s GLN 14 CO 0.06 -0.38 0.00 0.28 -2.54 0.00 0.00 175.29 172.71 3kc4 n VAL 15 N -0.32 0.00 -2.30 3.63 0.31 -1.20 -4.97 118.33 113.47 3kc4 n VAL 15 Ca 0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.19 3kc4 n VAL 15 Cb 0.66 -0.16 -0.01 0.00 -0.91 0.00 0.00 33.84 33.42 3kc4 n VAL 15 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kc4 n SER 16 N -1.02 -4.84 0.00 4.52 7.64 -1.22 -4.24 113.62 114.47 3kc4 n SER 16 Ca 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3kc4 n SER 16 Cb 0.00 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 59.25 3kc4 n SER 16 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3kc4 n ASP 17 N -1.11 0.00 -4.64 6.43 2.03 -0.04 -4.50 116.55 114.72 3kc4 n ASP 17 Ca -0.19 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 54.64 3kc4 n ASP 17 Cb 0.65 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.00 3kc4 n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kc4 n GLY 18 N 0.00 0.92 3.73 0.27 0.00 -1.24 -1.94 105.19 106.94 3kc4 n GLY 18 Ca 0.00 0.67 -0.42 0.00 0.00 0.00 0.00 46.02 46.27 3kc4 n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kc4 s VAL 19 N 0.82 3.24 -0.45 1.61 -7.23 -1.24 -2.35 120.40 114.81 3kc4 s VAL 19 Ca 0.81 0.95 -0.16 0.00 -1.81 0.00 0.00 61.98 61.77 3kc4 s VAL 19 Cb -0.77 -3.61 0.05 0.00 0.56 0.00 0.00 36.38 32.61 3kc4 s VAL 19 CO 0.41 0.11 0.39 0.00 -0.31 0.00 0.00 175.10 175.70 3kc4 s ALA 20 N 0.60 3.51 0.03 1.32 0.00 -1.26 -2.45 121.76 123.51 3kc4 s ALA 20 Ca 0.61 -1.90 -0.21 0.00 0.00 0.00 0.00 51.96 50.45 3kc4 s ALA 20 Cb -0.37 -3.04 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 3kc4 s ALA 20 CO 0.34 -1.66 0.62 -1.01 0.00 0.00 0.00 175.76 174.06 3kc4 s HIS 21 N 1.80 3.74 -0.10 0.00 3.76 0.15 -1.86 115.29 122.78 3kc4 s HIS 21 Ca 0.06 1.29 -0.08 0.00 -0.15 0.00 0.00 55.06 56.18 3kc4 s HIS 21 Cb -0.21 -2.62 0.03 0.00 1.11 0.00 0.00 32.58 30.88 3kc4 s HIS 21 CO 0.09 0.41 0.25 0.96 -0.85 0.00 0.00 174.74 175.60 3kc4 s ILE 22 N -0.47 -0.01 -0.34 0.60 -4.36 -0.45 -1.05 121.20 115.13 3kc4 s ILE 22 Ca 0.32 0.02 -0.04 0.00 -0.26 0.00 0.00 60.65 60.70 3kc4 s ILE 22 Cb -0.19 -0.36 0.06 0.00 1.25 0.00 0.00 42.46 43.22 3kc4 s ILE 22 CO 0.19 0.01 0.08 -2.28 0.24 0.00 0.00 174.94 173.18 3kc4 s HIS 23 N 0.33 3.33 -0.94 1.37 5.65 -1.25 -1.72 115.29 122.06 3kc4 s HIS 23 Ca -0.02 -1.85 -0.16 0.00 0.25 0.00 0.00 55.06 53.28 3kc4 s HIS 23 Cb -0.03 -2.43 0.17 0.00 -1.18 0.00 0.00 32.58 29.11 3kc4 s HIS 23 CO -0.01 -0.82 1.04 0.00 -0.65 0.00 0.00 174.74 174.30 3kc4 s ALA 24 N 1.28 3.75 0.31 1.58 0.00 0.16 -0.66 121.76 128.17 3kc4 s ALA 24 Ca -0.01 -3.07 -0.10 0.00 0.00 0.00 0.00 51.96 48.77 3kc4 s ALA 24 Cb -0.20 -3.86 -0.07 0.00 0.00 0.00 0.00 23.12 18.98 3kc4 s ALA 24 CO -0.01 -2.69 0.66 -1.12 0.00 0.00 0.00 175.76 172.60 3kc4 s SER 25 N 2.94 6.61 0.09 0.00 0.01 -0.52 -2.60 113.70 120.22 3kc4 s SER 25 Ca 0.29 1.04 -0.17 0.00 1.31 0.00 0.00 55.95 58.42 3kc4 s SER 25 Cb -0.07 -2.28 -0.08 0.00 0.21 0.00 0.00 66.02 63.81 3kc4 s SER 25 CO -0.08 -0.22 1.48 -0.26 0.41 0.00 0.00 173.24 174.57 3kc4 h PHE 26 N 1.97 0.62 -0.51 2.43 0.04 -1.81 -1.00 116.94 118.68 3kc4 h PHE 26 Ca -0.47 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.16 3kc4 h PHE 26 Cb 1.18 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.18 3kc4 h PHE 26 CO 0.61 0.76 0.00 -1.71 -0.60 0.00 0.00 178.31 177.37 3kc4 n ASN 27 N -4.49 3.63 -3.34 2.17 5.15 -1.26 -4.75 115.26 112.37 3kc4 n ASN 27 Ca -0.03 -2.28 -0.04 0.00 -0.60 0.00 0.00 54.58 51.63 3kc4 n ASN 27 Cb 0.32 -0.48 0.01 0.00 -0.53 0.00 0.00 39.78 39.11 3kc4 n ASN 27 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3kc4 s ASN 28 N -0.84 -0.02 -0.13 1.20 2.47 -1.26 -4.87 114.94 111.49 3kc4 s ASN 28 Ca 0.39 -0.73 -0.06 0.00 0.42 0.00 0.00 52.86 52.88 3kc4 s ASN 28 Cb 0.24 0.57 0.06 0.00 -1.45 0.00 0.00 41.25 40.67 3kc4 s ASN 28 CO 0.20 -1.12 0.30 -0.89 -3.72 0.00 0.00 177.10 171.87 3kc4 s THR 29 N -2.38 -0.19 0.03 -5.21 2.01 -1.22 -2.94 115.64 105.75 3kc4 s THR 29 Ca 0.19 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.38 3kc4 s THR 29 Cb -0.03 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 3kc4 s THR 29 CO 0.06 0.07 0.06 -0.63 -0.69 0.00 0.00 174.62 173.49 3kc4 s ILE 30 N 1.71 4.48 -0.06 1.82 -1.09 0.16 -3.83 121.20 124.39 3kc4 s ILE 30 Ca -0.06 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 57.75 3kc4 s ILE 30 Cb -0.11 -3.08 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 3kc4 s ILE 30 CO -0.10 0.26 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.09 3kc4 s VAL 31 N -1.25 0.93 -0.06 2.92 1.01 -0.90 -3.86 120.40 119.19 3kc4 s VAL 31 Ca 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 3kc4 s VAL 31 Cb -0.12 -0.88 0.04 0.00 0.00 0.00 0.00 36.38 35.42 3kc4 s VAL 31 CO 0.16 0.31 0.12 -0.89 0.00 0.00 0.00 175.10 174.80 3kc4 s THR 32 N 0.77 -0.08 -0.29 3.92 2.01 -0.21 -2.98 115.64 118.78 3kc4 s THR 32 Ca -0.13 0.22 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 3kc4 s THR 32 Cb -0.15 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 3kc4 s THR 32 CO 0.02 0.09 0.17 -0.63 -0.69 0.00 0.00 174.62 173.58 3kc4 s ILE 33 N 1.32 5.02 0.19 1.82 1.01 -1.04 -0.67 121.20 128.84 3kc4 s ILE 33 Ca -0.07 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.63 3kc4 s ILE 33 Cb -0.12 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 3kc4 s ILE 33 CO -0.05 0.21 0.03 0.42 0.00 0.00 0.00 174.94 175.55 3kc4 s THR 34 N 1.71 3.81 -0.42 2.92 -4.23 -1.03 -1.69 115.64 116.71 3kc4 s THR 34 Ca 0.06 -1.47 -0.20 0.00 -1.18 0.00 0.00 61.69 58.91 3kc4 s THR 34 Cb -0.16 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.75 3kc4 s THR 34 CO 0.09 -0.17 0.61 -0.62 -0.54 0.00 0.00 174.62 173.99 3kc4 s ASP 35 N -3.14 6.32 -1.40 3.99 3.68 -1.26 -3.59 116.67 121.26 3kc4 s ASP 35 Ca 0.29 -0.31 -0.05 0.00 2.13 0.00 0.00 52.55 54.61 3kc4 s ASP 35 Cb -0.09 -2.31 0.03 0.00 -1.45 0.00 0.00 42.92 39.11 3kc4 s ASP 35 CO 0.20 -0.72 0.75 0.54 0.13 0.00 0.00 175.17 176.06 3kc4 n ARG 36 N 6.14 -4.83 -0.33 4.34 1.74 -1.26 -4.37 116.66 118.09 3kc4 n ARG 36 Ca -0.02 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 3kc4 n ARG 36 Cb 0.48 -5.18 0.00 0.00 -1.02 0.00 0.00 32.46 26.74 3kc4 n ARG 36 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3kc4 n GLN 37 N -4.42 -0.92 0.00 5.56 0.00 -1.26 -4.77 117.38 111.57 3kc4 n GLN 37 Ca -0.19 0.67 0.00 0.00 -0.00 0.00 0.00 57.00 57.48 3kc4 n GLN 37 Cb 0.63 -0.74 0.00 0.00 0.00 0.00 0.00 30.24 30.13 3kc4 n GLN 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kc4 n GLY 38 N -0.43 -2.42 2.10 1.69 0.00 -1.26 -5.01 105.19 99.86 3kc4 n GLY 38 Ca 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 46.02 44.73 3kc4 n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kc4 n ASN 39 N -1.16 -3.76 -4.53 1.61 4.13 -1.26 -4.05 115.26 106.24 3kc4 n ASN 39 Ca 0.00 0.72 -0.38 0.00 1.68 0.00 0.00 54.58 56.60 3kc4 n ASN 39 Cb 0.00 -3.20 0.04 0.00 -1.54 0.00 0.00 39.78 35.08 3kc4 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kc4 n ALA 40 N 0.53 -0.56 0.00 5.41 0.00 -1.26 -4.17 120.51 120.45 3kc4 n ALA 40 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3kc4 n ALA 40 Cb 0.11 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3kc4 n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kc4 n LEU 41 N -0.01 0.19 -3.75 0.00 4.77 -0.68 -4.95 117.00 112.57 3kc4 n LEU 41 Ca 0.12 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 3kc4 n LEU 41 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 3kc4 n LEU 41 CO 0.50 -0.21 0.29 -0.83 -1.33 0.00 0.00 177.39 175.81 3kc4 s GLY 42 N -4.76 -0.08 0.16 -0.72 0.00 -1.24 -5.06 107.32 95.62 3kc4 s GLY 42 Ca 0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 44.72 44.24 3kc4 s GLY 42 CO 0.00 -0.25 0.88 0.66 0.00 0.00 0.00 173.10 174.39 3kc4 s TRP 43 N -3.88 -0.20 0.13 1.90 1.48 -1.26 -2.51 118.94 114.60 3kc4 s TRP 43 Ca 0.10 -0.11 -0.25 0.00 -1.06 0.00 0.00 56.10 54.77 3kc4 s TRP 43 Cb -0.01 0.63 0.08 0.00 -1.16 0.00 0.00 33.47 33.01 3kc4 s TRP 43 CO -0.02 -0.87 1.04 0.00 -4.06 0.00 0.00 176.95 173.04 3kc4 s ALA 44 N -3.41 -1.76 0.17 2.67 0.00 -1.16 -4.78 121.76 113.49 3kc4 s ALA 44 Ca 0.10 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.99 3kc4 s ALA 44 Cb -0.02 0.62 0.04 0.00 0.00 0.00 0.00 23.12 23.76 3kc4 s ALA 44 CO 0.01 -1.05 0.53 -0.08 0.00 0.00 0.00 175.76 175.16 3kc4 s THR 45 N -2.86 0.03 0.30 0.00 -1.32 -1.26 -2.11 115.64 108.41 3kc4 s THR 45 Ca 0.15 -0.50 -0.01 0.00 -1.21 0.00 0.00 61.69 60.11 3kc4 s THR 45 Cb -0.01 -1.32 0.24 0.00 -1.51 0.00 0.00 72.50 69.90 3kc4 s THR 45 CO 0.02 -0.12 1.95 0.00 -2.21 0.00 0.00 174.62 174.25 3kc4 h ALA 46 N 2.17 1.39 0.00 11.08 0.00 -1.80 -1.17 119.26 130.92 3kc4 h ALA 46 Ca -0.31 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3kc4 h ALA 46 Cb 1.27 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3kc4 h ALA 46 CO 0.39 0.53 -0.25 0.78 0.00 0.00 0.00 179.25 180.70 3kc4 h GLY 47 N 1.05 0.00 1.40 0.00 0.00 -1.80 -2.56 103.07 101.17 3kc4 h GLY 47 Ca 0.27 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.34 3kc4 h GLY 47 CO -0.05 0.00 -1.42 -1.33 0.00 0.00 0.00 176.54 173.74 3kc4 h GLY 48 N 1.93 0.01 1.89 4.60 0.00 -1.82 -2.63 103.07 107.05 3kc4 h GLY 48 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 3kc4 h GLY 48 CO 0.03 0.02 0.06 1.76 0.00 0.00 0.00 176.54 178.41 3kc4 h SER 49 N 0.00 0.13 0.00 0.19 0.02 -0.97 -3.46 113.55 109.47 3kc4 h SER 49 Ca -0.17 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3kc4 h SER 49 Cb 1.92 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.42 3kc4 h SER 49 CO 0.10 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.51 3kc4 n GLY 50 N -1.48 0.66 3.12 -3.77 0.00 -0.98 -5.08 105.19 97.65 3kc4 n GLY 50 Ca -0.01 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 3kc4 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kc4 s PHE 51 N -0.09 0.30 1.00 1.61 0.08 -1.10 -5.00 117.98 114.78 3kc4 s PHE 51 Ca 0.00 -0.72 -0.17 0.00 0.12 0.00 0.00 56.93 56.16 3kc4 s PHE 51 Cb 0.00 -0.21 0.05 0.00 -0.57 0.00 0.00 43.02 42.29 3kc4 s PHE 51 CO 0.00 -0.40 -0.25 0.54 -0.10 0.00 0.00 175.22 175.01 3kc4 n ARG 52 N 0.41 -1.33 0.00 0.44 1.74 -1.26 -4.24 116.66 112.42 3kc4 n ARG 52 Ca -0.17 -0.39 0.12 0.00 -0.77 0.00 0.00 57.85 56.65 3kc4 n ARG 52 Cb 0.60 -1.39 0.54 0.00 -1.02 0.00 0.00 32.46 31.19 3kc4 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kc4 n GLY 53 N 2.61 -1.33 2.61 -0.13 0.00 -1.26 -0.89 105.19 106.80 3kc4 n GLY 53 Ca 0.02 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 3kc4 n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kc4 n SER 54 N -1.48 2.35 -0.04 1.61 7.64 -1.26 -4.64 113.62 117.80 3kc4 n SER 54 Ca 0.07 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 57.07 3kc4 n SER 54 Cb 0.28 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 3kc4 n SER 54 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3kc4 n ARG 55 N -0.27 0.00 -0.97 1.43 0.63 -0.97 -4.98 116.66 111.53 3kc4 n ARG 55 Ca 0.17 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.98 3kc4 n ARG 55 Cb 0.79 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.58 3kc4 n ARG 55 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 3kc4 n LYS 56 N 0.00 1.86 0.20 -0.14 2.85 -0.07 -3.61 118.16 119.25 3kc4 n LYS 56 Ca 0.00 -1.01 0.00 0.00 -1.05 0.00 0.00 58.31 56.25 3kc4 n LYS 56 Cb 0.47 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 3kc4 n LYS 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3kc4 n SER 57 N 2.04 -2.87 -1.42 -5.58 7.64 -1.26 -3.41 113.62 108.76 3kc4 n SER 57 Ca 0.36 0.74 -0.13 0.00 1.01 0.00 0.00 58.87 60.85 3kc4 n SER 57 Cb 0.79 2.75 0.01 0.00 -1.01 0.00 0.00 64.21 66.75 3kc4 n SER 57 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kc4 n THR 58 N -3.40 0.00 -0.20 0.44 -2.24 -1.24 -4.12 114.28 103.53 3kc4 n THR 58 Ca 0.00 -0.17 -0.02 0.00 -2.27 0.00 0.00 64.05 61.58 3kc4 n THR 58 Cb 0.00 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.31 3kc4 n THR 58 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3kc4 h PRO 59 N -0.21 0.55 0.20 -0.78 0.11 -1.97 0.31 132.00 130.21 3kc4 h PRO 59 Ca -0.15 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.94 3kc4 h PRO 59 Cb 0.47 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 3kc4 h PRO 59 CO 0.10 0.37 -0.42 0.35 -0.21 0.00 0.00 178.00 178.19 3kc4 h PHE 60 N 0.57 -1.18 -0.63 0.65 3.04 -1.99 -0.06 116.94 117.34 3kc4 h PHE 60 Ca 0.27 0.02 0.17 0.00 3.98 0.00 0.00 57.97 62.42 3kc4 h PHE 60 Cb 0.20 0.49 -0.03 0.00 2.56 0.00 0.00 35.95 39.17 3kc4 h PHE 60 CO -0.10 -0.53 0.45 0.00 -2.02 0.00 0.00 178.31 176.10 3kc4 h ALA 61 N -0.28 2.49 -0.14 2.41 0.00 -1.80 -2.66 119.26 119.28 3kc4 h ALA 61 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3kc4 h ALA 61 Cb 0.70 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3kc4 h ALA 61 CO -0.20 -0.67 -0.52 0.00 0.00 0.00 0.00 179.25 177.86 3kc4 h ALA 62 N 1.69 0.84 0.38 0.00 0.00 0.14 0.25 119.26 122.56 3kc4 h ALA 62 Ca 0.30 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3kc4 h ALA 62 Cb 1.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3kc4 h ALA 62 CO -0.02 0.68 -0.52 1.96 0.00 0.00 0.00 179.25 181.34 3kc4 h GLN 63 N 0.31 -0.90 -1.13 0.00 4.20 -0.89 -0.77 115.11 115.93 3kc4 h GLN 63 Ca 0.01 0.06 0.32 0.00 0.06 0.00 0.00 58.65 59.10 3kc4 h GLN 63 Cb 1.02 0.21 -0.06 0.00 0.30 0.00 0.00 27.48 28.95 3kc4 h GLN 63 CO 0.09 -0.60 0.79 0.28 -0.67 0.00 0.00 178.83 178.72 3kc4 h VAL 64 N -0.94 0.44 0.07 -0.54 2.07 -1.51 -3.06 116.25 112.77 3kc4 h VAL 64 Ca -0.05 -0.03 -0.34 0.00 0.82 0.00 0.00 66.70 67.10 3kc4 h VAL 64 Cb 0.85 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3kc4 h VAL 64 CO -0.14 0.02 -1.92 0.00 0.02 0.00 0.00 177.57 175.55 3kc4 n ALA 65 N -2.69 0.96 0.09 1.67 0.00 0.04 -3.29 120.51 117.29 3kc4 n ALA 65 Ca 0.25 -0.68 0.20 0.00 0.00 0.00 0.00 53.44 53.21 3kc4 n ALA 65 Cb 1.14 -0.50 0.75 0.00 0.00 0.00 0.00 19.45 20.83 3kc4 n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc4 h ALA 66 N -0.17 2.17 0.00 0.00 0.00 -1.06 -1.91 119.26 118.30 3kc4 h ALA 66 Ca -0.45 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.07 3kc4 h ALA 66 Cb 1.79 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 3kc4 h ALA 66 CO -0.06 -0.57 -2.41 -0.85 0.00 0.00 0.00 179.25 175.36 3kc4 n GLU 67 N -3.96 0.67 0.02 0.00 0.28 -1.24 -4.34 120.64 112.06 3kc4 n GLU 67 Ca 0.07 0.07 -0.11 0.00 -0.16 0.00 0.00 57.16 57.03 3kc4 n GLU 67 Cb 0.54 -1.53 -0.06 0.00 1.43 0.00 0.00 31.44 31.83 3kc4 n GLU 67 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 3kc4 h ARG 68 N 0.00 -0.01 -0.94 3.44 2.43 -1.33 0.20 114.38 118.17 3kc4 h ARG 68 Ca -0.56 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.66 3kc4 h ARG 68 Cb 2.09 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.58 3kc4 h ARG 68 CO -0.02 -0.01 0.61 0.00 -1.51 0.00 0.00 179.97 179.04 3kc4 h ALA 70 N 1.47 0.66 0.00 0.00 0.00 -0.94 -0.91 119.26 119.55 3kc4 h ALA 70 Ca 0.39 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kc4 h ALA 70 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kc4 h ALA 70 CO -0.13 0.37 -0.00 -0.44 0.00 0.00 0.00 179.25 179.05 3kc4 h ASP 71 N 0.69 0.00 -0.27 0.00 3.32 -0.79 -2.49 116.42 116.88 3kc4 h ASP 71 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3kc4 h ASP 71 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3kc4 h ASP 71 CO 0.01 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3kc4 n ALA 72 N -2.26 2.42 -0.90 3.45 0.00 -0.35 -4.01 120.51 118.86 3kc4 n ALA 72 Ca -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.51 3kc4 n ALA 72 Cb 0.08 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3kc4 n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3kc4 n VAL 73 N 1.37 0.00 -0.36 0.00 0.24 -1.16 -4.91 118.33 113.51 3kc4 n VAL 73 Ca 0.17 0.00 0.30 0.00 -2.04 0.00 0.00 64.34 62.76 3kc4 n VAL 73 Cb 0.58 1.28 0.61 0.00 -1.47 0.00 0.00 33.84 34.84 3kc4 n VAL 73 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3kc4 h LYS 74 N 0.00 0.21 0.00 7.34 1.63 -1.58 -1.85 116.57 122.33 3kc4 h LYS 74 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3kc4 h LYS 74 Cb 0.33 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 3kc4 h LYS 74 CO 0.00 0.14 0.03 -0.85 -3.45 0.00 0.00 179.45 175.32 3kc4 n GLU 75 N -4.51 0.02 0.09 1.90 0.28 -1.26 -1.11 120.64 116.06 3kc4 n GLU 75 Ca 0.28 0.50 -0.23 0.00 -0.16 0.00 0.00 57.16 57.55 3kc4 n GLU 75 Cb 1.11 -1.60 -0.15 0.00 1.43 0.00 0.00 31.44 32.23 3kc4 n GLU 75 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 3kc4 h TYR 76 N 0.00 0.77 0.00 -1.84 0.99 -1.54 -3.47 116.97 111.89 3kc4 h TYR 76 Ca 0.00 -0.57 0.00 0.00 2.00 0.00 0.00 58.73 60.16 3kc4 h TYR 76 Cb 0.05 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.75 3kc4 h TYR 76 CO 0.00 1.54 0.00 0.41 -0.00 0.00 0.00 178.16 180.11 3kc4 n GLY 77 N 1.74 2.57 3.23 3.88 0.00 -0.27 -4.04 105.19 112.31 3kc4 n GLY 77 Ca -0.19 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 3kc4 n GLY 77 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kc4 s ILE 78 N 0.00 0.06 0.00 -0.61 -4.36 -1.26 -3.23 121.20 111.80 3kc4 s ILE 78 Ca 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 60.65 59.92 3kc4 s ILE 78 Cb 0.00 -0.61 0.00 0.00 1.25 0.00 0.00 42.46 43.10 3kc4 s ILE 78 CO 0.00 -0.26 0.00 2.29 0.24 0.00 0.00 174.94 177.21 3kc4 n LYS 79 N 1.31 0.00 -3.77 0.37 0.00 -1.26 -4.88 118.16 109.93 3kc4 n LYS 79 Ca -0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 57.97 3kc4 n LYS 79 Cb 0.56 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 35.48 3kc4 n LYS 79 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3kc4 s ASN 80 N 0.00 -0.31 -0.16 -5.58 0.01 -1.26 -0.57 114.94 107.07 3kc4 s ASN 80 Ca 0.00 0.60 -0.19 0.00 -0.71 0.00 0.00 52.86 52.56 3kc4 s ASN 80 Cb 0.00 0.61 0.05 0.00 0.41 0.00 0.00 41.25 42.32 3kc4 s ASN 80 CO 0.00 -0.11 0.51 -0.76 -1.51 0.00 0.00 177.10 175.23 3kc4 s LEU 81 N 0.19 0.05 -0.48 0.60 1.43 -0.07 -0.86 118.68 119.55 3kc4 s LEU 81 Ca -0.00 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 3kc4 s LEU 81 Cb -0.02 1.79 0.13 0.00 0.03 0.00 0.00 46.19 48.12 3kc4 s LEU 81 CO 0.00 -0.25 0.24 -1.61 0.23 0.00 0.00 176.35 174.96 3kc4 s GLU 82 N -0.06 1.68 0.28 1.70 0.41 -0.82 -3.83 118.70 118.07 3kc4 s GLU 82 Ca -0.03 -2.34 -0.30 0.00 -0.41 0.00 0.00 54.97 51.89 3kc4 s GLU 82 Cb -0.03 -2.93 -0.12 0.00 -1.78 0.00 0.00 34.13 29.27 3kc4 s GLU 82 CO 0.02 -1.12 1.62 1.33 -0.49 0.00 0.00 175.26 176.62 3kc4 n VAL 83 N 3.35 0.89 -3.80 2.63 0.24 -1.26 -3.97 118.33 116.41 3kc4 n VAL 83 Ca 0.06 -0.22 -0.29 0.00 -2.04 0.00 0.00 64.34 61.85 3kc4 n VAL 83 Cb 0.33 -1.98 -0.12 0.00 -1.47 0.00 0.00 33.84 30.60 3kc4 n VAL 83 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3kc4 s MET 84 N -0.29 1.88 0.14 7.34 -1.94 -0.78 -3.74 119.30 121.91 3kc4 s MET 84 Ca 0.65 -2.72 -0.31 0.00 -1.71 0.00 0.00 55.69 51.61 3kc4 s MET 84 Cb -0.49 -2.89 -0.10 0.00 2.01 0.00 0.00 34.83 33.36 3kc4 s MET 84 CO 0.46 -1.23 1.66 0.14 -0.01 0.00 0.00 175.02 176.04 3kc4 s VAL 85 N -0.58 2.65 -0.21 -6.03 -7.23 -1.25 -1.34 120.40 106.41 3kc4 s VAL 85 Ca 0.22 0.34 -0.05 0.00 -1.81 0.00 0.00 61.98 60.68 3kc4 s VAL 85 Cb -0.13 -3.22 0.07 0.00 0.56 0.00 0.00 36.38 33.67 3kc4 s VAL 85 CO -0.09 0.01 0.10 -0.54 -0.31 0.00 0.00 175.10 174.27 3kc4 s LYS 86 N 1.85 0.10 0.05 4.82 1.02 -0.70 -1.57 119.74 125.31 3kc4 s LYS 86 Ca 0.74 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.50 3kc4 s LYS 86 Cb -0.44 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 3kc4 s LYS 86 CO 0.32 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.38 3kc4 n GLY 87 N 5.27 -3.11 3.72 -3.33 0.00 -1.26 -0.67 105.19 105.82 3kc4 n GLY 87 Ca -0.07 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 3kc4 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kc4 s PRO 88 N -5.68 1.63 0.00 1.61 0.04 -1.25 -3.78 135.00 127.57 3kc4 s PRO 88 Ca 0.00 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.20 3kc4 s PRO 88 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 3kc4 s PRO 88 CO 0.00 -2.08 0.00 0.41 0.04 0.00 0.00 177.00 175.37 3kc4 n GLY 89 N -0.80 2.22 2.77 0.56 0.00 -1.07 -3.72 105.19 105.15 3kc4 n GLY 89 Ca 0.09 -2.10 -0.44 0.00 0.00 0.00 0.00 46.02 43.57 3kc4 n GLY 89 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kc4 n PRO 90 N -0.10 0.00 0.00 1.61 -0.02 -0.38 -3.88 135.00 132.23 3kc4 n PRO 90 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kc4 n PRO 90 Cb 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 3kc4 n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kc4 n GLY 91 N 1.34 1.55 2.61 -1.23 0.00 -1.26 -1.44 105.19 106.75 3kc4 n GLY 91 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 3kc4 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kc4 n ARG 92 N -0.90 1.10 0.00 1.61 1.74 -1.25 -4.72 116.66 114.24 3kc4 n ARG 92 Ca 0.00 -2.46 0.00 0.00 -0.77 0.00 0.00 57.85 54.62 3kc4 n ARG 92 Cb 0.00 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 3kc4 n ARG 92 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3kc4 n GLU 93 N -0.07 0.00 -0.45 5.56 2.13 -1.26 -4.94 120.64 121.62 3kc4 n GLU 93 Ca 0.07 0.00 0.39 0.00 0.66 0.00 0.00 57.16 58.28 3kc4 n GLU 93 Cb 0.77 0.00 0.73 0.00 0.27 0.00 0.00 31.44 33.21 3kc4 n GLU 93 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3kc4 h SER 94 N 0.00 0.09 0.00 4.31 0.02 -1.90 -2.48 113.55 113.59 3kc4 h SER 94 Ca 0.00 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3kc4 h SER 94 Cb 0.00 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3kc4 h SER 94 CO 0.00 -0.02 -0.00 0.74 -1.14 0.00 0.00 176.83 176.41 3kc4 h THR 95 N 0.06 1.73 0.00 -2.27 2.02 -1.86 -3.38 112.91 109.21 3kc4 h THR 95 Ca 0.71 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 65.61 3kc4 h THR 95 Cb 2.64 3.26 0.00 0.00 -1.74 0.00 0.00 68.15 72.31 3kc4 h THR 95 CO -0.10 0.58 0.00 -0.38 0.37 0.00 0.00 175.52 175.99 3kc4 n ILE 96 N -4.62 0.00 -0.28 3.11 5.41 -0.93 -2.93 119.36 119.13 3kc4 n ILE 96 Ca -0.10 1.40 0.09 0.00 1.00 0.00 0.00 62.75 65.14 3kc4 n ILE 96 Cb 0.46 -2.02 0.23 0.00 -0.71 0.00 0.00 39.64 37.60 3kc4 n ILE 96 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 3kc4 h ARG 97 N 0.00 0.36 -0.52 0.38 0.11 -1.79 -1.86 114.38 111.05 3kc4 h ARG 97 Ca 0.00 -0.02 0.03 0.00 0.10 0.00 0.00 59.98 60.09 3kc4 h ARG 97 Cb 0.00 -0.08 -0.04 0.00 1.11 0.00 0.00 29.97 30.96 3kc4 h ARG 97 CO 0.00 0.24 0.29 0.00 0.10 0.00 0.00 179.97 180.60 3kc4 h ALA 98 N 1.64 0.67 0.45 0.08 0.00 -1.70 -1.45 119.26 118.95 3kc4 h ALA 98 Ca 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 3kc4 h ALA 98 Cb 0.83 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kc4 h ALA 98 CO -0.50 -0.02 -0.22 -0.07 0.00 0.00 0.00 179.25 178.44 3kc4 h LEU 99 N 0.57 -0.51 -0.50 0.00 3.38 -1.28 -1.42 115.31 115.55 3kc4 h LEU 99 Ca 0.22 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.22 3kc4 h LEU 99 Cb 0.08 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.86 3kc4 h LEU 99 CO -0.12 -0.26 -0.40 0.78 0.09 0.00 0.00 178.44 178.53 3kc4 h ASN 100 N -0.75 -1.34 0.00 -0.43 4.21 -1.42 0.34 115.58 116.20 3kc4 h ASN 100 Ca -0.06 0.22 0.00 0.00 1.21 0.00 0.00 56.30 57.67 3kc4 h ASN 100 Cb 0.53 0.61 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 3kc4 h ASN 100 CO 0.10 -0.34 0.00 0.00 -1.29 0.00 0.00 177.43 175.90 3kc4 n ALA 101 N -3.10 2.09 -1.96 -0.83 0.00 -0.55 -2.36 120.51 113.79 3kc4 n ALA 101 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.49 3kc4 n ALA 101 Cb 0.35 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.85 3kc4 n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc4 n ALA 102 N 0.63 2.35 -0.85 0.00 0.00 0.09 -4.88 120.51 117.86 3kc4 n ALA 102 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.49 3kc4 n ALA 102 Cb 0.29 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3kc4 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc4 n GLY 103 N -0.21 0.76 3.65 0.00 0.00 -1.00 -4.93 105.19 103.46 3kc4 n GLY 103 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3kc4 n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kc4 s PHE 104 N -2.89 3.35 -0.46 1.61 0.08 -1.11 -4.34 117.98 114.22 3kc4 s PHE 104 Ca 0.00 0.75 -0.20 0.00 0.12 0.00 0.00 56.93 57.60 3kc4 s PHE 104 Cb 0.00 -2.69 0.03 0.00 -0.57 0.00 0.00 43.02 39.79 3kc4 s PHE 104 CO 0.00 -0.15 0.61 0.50 -0.10 0.00 0.00 175.22 176.08 3kc4 s ARG 105 N 1.82 3.21 -0.25 0.44 3.52 0.26 -4.15 118.95 123.80 3kc4 s ARG 105 Ca 0.24 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.28 3kc4 s ARG 105 Cb -0.15 -4.00 0.06 0.00 -1.56 0.00 0.00 34.95 29.30 3kc4 s ARG 105 CO 0.09 -1.05 -0.05 0.42 -0.81 0.00 0.00 175.30 173.90 3kc4 s ILE 106 N 2.70 1.63 -0.11 4.11 1.01 -1.25 -0.89 121.20 128.40 3kc4 s ILE 106 Ca 0.19 -1.33 0.22 0.00 0.00 0.00 0.00 60.65 59.73 3kc4 s ILE 106 Cb -0.16 -1.90 -0.32 0.00 0.01 0.00 0.00 42.46 40.09 3kc4 s ILE 106 CO 0.16 -0.14 0.52 0.35 0.00 0.00 0.00 174.94 175.84 3kc4 n THR 107 N 4.63 0.01 -3.80 2.92 -2.24 -1.26 -4.98 114.28 109.56 3kc4 n THR 107 Ca -0.11 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 3kc4 n THR 107 Cb 0.44 0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.63 3kc4 n THR 107 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3kc4 s ASN 108 N -4.42 -0.20 -0.28 3.42 -0.87 -1.26 -5.13 114.94 106.20 3kc4 s ASN 108 Ca -0.07 0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.53 3kc4 s ASN 108 Cb 0.14 0.42 0.09 0.00 -0.02 0.00 0.00 41.25 41.88 3kc4 s ASN 108 CO 0.90 -0.20 0.04 -0.63 -2.57 0.00 0.00 177.10 174.64 3kc4 s ILE 109 N -0.40 1.30 -0.22 0.60 1.01 -1.26 -4.18 121.20 118.05 3kc4 s ILE 109 Ca -0.05 -1.47 -0.20 0.00 0.00 0.00 0.00 60.65 58.94 3kc4 s ILE 109 Cb -0.03 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 3kc4 s ILE 109 CO 0.01 -0.46 0.59 0.42 0.00 0.00 0.00 174.94 175.50 3kc4 s THR 110 N 1.43 5.04 -0.06 2.92 -4.23 -1.25 -5.03 115.64 114.47 3kc4 s THR 110 Ca 0.05 1.07 -0.30 0.00 -1.18 0.00 0.00 61.69 61.34 3kc4 s THR 110 Cb -0.18 -3.90 -0.06 0.00 1.34 0.00 0.00 72.50 69.70 3kc4 s THR 110 CO -0.15 0.10 1.77 -0.62 -0.54 0.00 0.00 174.62 175.19 3kc4 s ASP 111 N 1.31 6.50 -0.32 3.99 2.15 -1.26 -3.81 116.67 125.22 3kc4 s ASP 111 Ca 0.26 2.27 0.01 0.00 0.43 0.00 0.00 52.55 55.52 3kc4 s ASP 111 Cb -0.16 -2.53 0.08 0.00 -0.30 0.00 0.00 42.92 40.01 3kc4 s ASP 111 CO 0.09 -1.06 0.02 0.68 -0.17 0.00 0.00 175.17 174.74 3kc4 s VAL 112 N 4.54 2.62 -0.10 1.11 -7.23 -0.61 -5.02 120.40 115.70 3kc4 s VAL 112 Ca 0.79 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 59.06 3kc4 s VAL 112 Cb -0.35 -2.70 0.05 0.00 0.56 0.00 0.00 36.38 33.95 3kc4 s VAL 112 CO 0.33 -0.34 0.19 -0.89 -0.31 0.00 0.00 175.10 174.08 3kc4 s THR 113 N 1.09 -0.31 -0.40 5.32 2.01 -1.26 -4.00 115.64 118.08 3kc4 s THR 113 Ca 0.01 0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.20 3kc4 s THR 113 Cb -0.20 -0.35 0.03 0.00 0.01 0.00 0.00 72.50 71.99 3kc4 s THR 113 CO -0.05 0.13 0.27 -2.16 -0.69 0.00 0.00 174.62 172.13 3kc4 s PRO 114 N 2.33 2.91 0.20 4.92 0.04 -1.26 -5.04 135.00 139.10 3kc4 s PRO 114 Ca 0.03 -1.08 0.01 0.00 0.04 0.00 0.00 61.00 60.00 3kc4 s PRO 114 Cb -0.12 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.47 3kc4 s PRO 114 CO -0.07 -0.76 0.04 0.96 0.04 0.00 0.00 177.00 177.21 3kc4 s ILE 115 N 1.63 0.57 0.45 0.56 -4.36 -1.26 -5.13 121.20 113.66 3kc4 s ILE 115 Ca 0.04 -1.98 0.06 0.00 -0.26 0.00 0.00 60.65 58.51 3kc4 s ILE 115 Cb -0.20 -2.28 -0.03 0.00 1.25 0.00 0.00 42.46 41.20 3kc4 s ILE 115 CO 0.08 -0.31 0.21 -2.16 0.24 0.00 0.00 174.94 173.00 3kc4 s PRO 116 N -3.97 2.24 0.00 0.37 0.04 -1.26 -4.94 135.00 127.47 3kc4 s PRO 116 Ca 0.29 -1.93 0.22 0.00 0.04 0.00 0.00 61.00 59.61 3kc4 s PRO 116 Cb 0.07 -1.97 0.41 0.00 0.04 0.00 0.00 34.50 33.06 3kc4 s PRO 116 CO 0.07 -0.24 1.37 0.72 0.04 0.00 0.00 177.00 178.96 3kc4 n HIS 117 N -1.35 0.50 0.00 0.56 8.25 -1.26 -4.96 115.22 116.97 3kc4 n HIS 117 Ca -0.03 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 3kc4 n HIS 117 Cb 0.65 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 3kc4 n HIS 117 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3kc4 n ASN 118 N 1.41 0.00 -0.01 0.41 3.02 -1.26 -5.10 115.26 113.73 3kc4 n ASN 118 Ca 0.19 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.75 3kc4 n ASN 118 Cb 0.58 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 3kc4 n ASN 118 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kc4 n GLY 119 N 0.71 -0.19 3.67 7.41 0.00 -1.26 -5.11 105.19 110.43 3kc4 n GLY 119 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 3kc4 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kc4 s ARG 121 N -3.93 3.67 0.97 0.00 3.52 -1.26 -5.06 118.95 116.87 3kc4 s ARG 121 Ca 0.13 0.08 -0.12 0.00 -0.13 0.00 0.00 55.73 55.69 3kc4 s ARG 121 Cb -0.03 -3.81 0.17 0.00 -1.56 0.00 0.00 34.95 29.72 3kc4 s ARG 121 CO 0.04 -0.76 1.09 -2.14 -0.81 0.00 0.00 175.30 172.71 3kc4 s PRO 122 N 2.77 0.64 0.00 5.12 0.02 -1.26 -5.06 135.00 137.24 3kc4 s PRO 122 Ca 0.25 0.93 0.00 0.00 0.02 0.00 0.00 61.00 62.21 3kc4 s PRO 122 Cb -0.14 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.65 3kc4 s PRO 122 CO 0.15 -2.69 0.00 -0.35 -0.33 0.00 0.00 177.00 173.78 3kc4 n PRO 123 N -4.21 3.31 0.00 5.54 -0.04 -1.26 -5.14 135.00 133.20 3kc4 n PRO 123 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3kc4 n PRO 123 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 3kc4 n PRO 123 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3kc4 n LYS 124 N 0.00 0.00 0.00 0.54 4.76 -1.26 -5.21 118.16 116.99 3kc4 n LYS 124 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3kc4 n LYS 124 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3kc4 n LYS 124 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3kc4 n LYS 125 N 0.00 0.00 0.00 1.97 5.02 -1.26 -5.16 118.16 118.73 3kc4 n LYS 125 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kc4 n LYS 125 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3kc4 n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kc4 n ARG 126 N -0.98 0.00 0.00 1.97 1.74 -1.26 -5.02 116.66 113.11 3kc4 n ARG 126 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3kc4 n ARG 126 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3kc4 n ARG 126 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3kc4 n ARG 127 N 0.00 3.59 0.00 5.56 1.85 -1.26 -5.36 116.66 121.04 3kc4 n ARG 127 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3kc4 n ARG 127 Cb 0.00 -0.63 0.00 0.00 -1.05 0.00 0.00 32.46 30.78 3kc4 n ARG 127 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90