#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t s VAL 2 N 0.00 0.00 0.05 0.00 -7.23 -1.26 -5.11 120.40 106.86 3i1t s VAL 2 Ca 0.00 -1.74 -0.37 0.00 -1.81 0.00 0.00 61.98 58.06 3i1t s VAL 2 Cb 0.00 -2.52 -0.16 0.00 0.56 0.00 0.00 36.38 34.25 3i1t s VAL 2 CO 0.00 0.00 1.39 0.00 -0.31 0.00 0.00 175.10 176.18 3i1t n GLN 3 N -0.50 1.20 -0.33 4.82 10.64 -1.26 -4.85 117.38 127.11 3i1t n GLN 3 Ca 0.02 0.43 0.11 0.00 -1.83 0.00 0.00 57.00 55.74 3i1t n GLN 3 Cb 0.63 -2.09 0.29 0.00 -0.86 0.00 0.00 30.24 28.21 3i1t n GLN 3 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 3i1t n GLN 4 N 2.85 2.55 -3.64 2.61 7.27 -1.26 -4.86 117.38 122.90 3i1t n GLN 4 Ca 0.19 -2.40 -0.03 0.00 0.07 0.00 0.00 57.00 54.83 3i1t n GLN 4 Cb 0.19 -1.52 -0.07 0.00 2.41 0.00 0.00 30.24 31.25 3i1t n GLN 4 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 3i1t s ASN 5 N -1.03 -0.47 0.08 1.69 3.04 -1.26 -5.15 114.94 111.84 3i1t s ASN 5 Ca 0.45 0.76 -0.31 0.00 0.04 0.00 0.00 52.86 53.80 3i1t s ASN 5 Cb 0.23 1.15 -0.08 0.00 -1.54 0.00 0.00 41.25 41.02 3i1t s ASN 5 CO 0.31 -0.12 1.47 -0.75 -3.04 0.00 0.00 177.10 174.96 3i1t s LYS 6 N 1.21 4.27 0.94 0.43 2.20 -1.26 -5.00 119.74 122.54 3i1t s LYS 6 Ca -0.08 2.13 -0.12 0.00 -0.36 0.00 0.00 55.97 57.55 3i1t s LYS 6 Cb -0.04 -3.40 0.09 0.00 -1.51 0.00 0.00 37.83 32.97 3i1t s LYS 6 CO -0.14 -0.56 0.73 -2.30 -0.36 0.00 0.00 175.35 172.73 3i1t n PRO 7 N 4.69 -0.42 -0.54 4.03 -0.02 -1.26 -5.04 135.00 136.45 3i1t n PRO 7 Ca 0.13 -0.07 -0.02 0.00 -2.02 0.00 0.00 63.50 61.53 3i1t n PRO 7 Cb 0.42 -2.09 0.01 0.00 -0.02 0.00 0.00 33.50 31.82 3i1t n PRO 7 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i1t n THR 8 N -3.92 0.00 -0.01 3.45 -2.24 -1.26 -5.01 114.28 105.29 3i1t n THR 8 Ca 0.09 -0.08 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 3i1t n THR 8 Cb 0.53 -1.55 -0.16 0.00 -2.10 0.00 0.00 70.33 67.05 3i1t n THR 8 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3i1t n ARG 9 N -1.13 0.64 -0.03 -0.78 1.85 -1.26 -3.58 116.66 112.38 3i1t n ARG 9 Ca 0.01 -0.19 -0.15 0.00 -1.00 0.00 0.00 57.85 56.52 3i1t n ARG 9 Cb 0.04 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.84 3i1t n ARG 9 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3i1t h SER 10 N 0.00 0.31 -0.33 2.89 0.87 -2.00 -2.46 113.55 112.83 3i1t h SER 10 Ca -0.02 -0.70 -0.09 0.00 -1.23 0.00 0.00 61.79 59.75 3i1t h SER 10 Cb 1.00 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 3i1t h SER 10 CO 0.00 0.97 -0.09 0.50 -0.53 0.00 0.00 176.83 177.67 3i1t h LYS 11 N -0.32 0.75 -0.76 2.24 1.63 -1.97 -1.99 116.57 116.15 3i1t h LYS 11 Ca -0.03 -0.24 0.14 0.00 -0.85 0.00 0.00 60.65 59.67 3i1t h LYS 11 Cb 0.98 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.49 3i1t h LYS 11 CO 0.06 0.83 0.50 -0.09 -3.45 0.00 0.00 179.45 177.30 3i1t h ARG 12 N 0.69 0.45 0.07 1.90 2.43 -1.60 -1.10 114.38 117.21 3i1t h ARG 12 Ca 0.12 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3i1t h ARG 12 Cb 0.56 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3i1t h ARG 12 CO 0.03 0.30 -0.03 0.78 -1.51 0.00 0.00 179.97 179.53 3i1t h GLY 13 N 0.46 -0.10 -0.31 2.80 0.00 -0.88 -3.10 103.07 101.93 3i1t h GLY 13 Ca 0.37 0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.88 3i1t h GLY 13 CO -0.12 -0.04 -0.13 -0.33 0.00 0.00 0.00 176.54 175.92 3i1t h MET 14 N -0.83 0.02 0.00 4.80 2.86 -1.10 1.64 114.93 122.32 3i1t h MET 14 Ca -0.01 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3i1t h MET 14 Cb 0.61 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 3i1t h MET 14 CO 0.02 0.01 0.15 -0.09 1.06 0.00 0.00 176.91 178.06 3i1t h ARG 15 N 0.02 0.00 0.00 1.72 2.43 -1.29 -1.19 114.38 116.07 3i1t h ARG 15 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3i1t h ARG 15 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3i1t h ARG 15 CO -0.67 0.00 -1.00 0.54 -1.51 0.00 0.00 179.97 177.33 3i1t n ARG 16 N -2.94 0.71 -0.32 0.20 1.74 0.53 -4.56 116.66 112.01 3i1t n ARG 16 Ca -0.02 -0.02 0.22 0.00 -0.77 0.00 0.00 57.85 57.26 3i1t n ARG 16 Cb 0.20 -1.40 0.50 0.00 -1.02 0.00 0.00 32.46 30.74 3i1t n ARG 16 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3i1t h SER 17 N 0.00 0.46 0.90 0.55 4.64 0.75 0.24 113.55 121.09 3i1t h SER 17 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3i1t h SER 17 Cb 0.50 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3i1t h SER 17 CO 0.00 0.09 -0.14 1.41 -0.87 0.00 0.00 176.83 177.32 3i1t n HIS 18 N -4.64 0.07 1.76 4.77 8.25 -1.26 -3.56 115.22 120.60 3i1t n HIS 18 Ca 0.25 0.02 0.02 0.00 -0.26 0.00 0.00 57.72 57.75 3i1t n HIS 18 Cb 0.87 -0.47 0.10 0.00 1.12 0.00 0.00 29.99 31.62 3i1t n HIS 18 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3i1t n ASP 19 N -1.56 0.00 -4.78 0.41 10.43 0.85 -4.82 116.55 117.08 3i1t n ASP 19 Ca 0.06 -1.65 -0.41 0.00 2.57 0.00 0.00 54.79 55.37 3i1t n ASP 19 Cb 0.35 0.00 -0.00 0.00 1.84 0.00 0.00 41.12 43.30 3i1t n ASP 19 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i1t s ALA 20 N -2.00 3.57 0.40 2.24 0.00 -1.23 -5.01 121.76 119.73 3i1t s ALA 20 Ca 0.05 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.56 3i1t s ALA 20 Cb 0.02 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3i1t s ALA 20 CO 0.04 -1.03 0.00 1.28 0.00 0.00 0.00 175.76 176.05 3i1t n LEU 21 N 0.52 0.00 -3.49 0.00 4.77 -1.26 -5.11 117.00 112.43 3i1t n LEU 21 Ca 0.01 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 3i1t n LEU 21 Cb 0.39 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3i1t n LEU 21 CO 0.63 0.00 0.47 0.28 -1.33 0.00 0.00 177.39 177.45 3i1t s THR 22 N 0.00 0.00 0.46 -5.08 -1.32 -1.26 -5.18 115.64 103.26 3i1t s THR 22 Ca 0.00 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.42 3i1t s THR 22 Cb 0.00 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 3i1t s THR 22 CO 0.00 0.00 0.62 0.00 -2.21 0.00 0.00 174.62 173.03 3i1t n ALA 23 N 0.41 -0.57 -0.07 11.08 0.00 -1.26 -5.03 120.51 125.08 3i1t n ALA 23 Ca -0.17 -0.88 -0.07 0.00 0.00 0.00 0.00 53.44 52.32 3i1t n ALA 23 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 3i1t n ALA 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1t n VAL 24 N -2.73 0.90 -2.18 0.00 0.31 -1.26 -5.05 118.33 108.32 3i1t n VAL 24 Ca 0.08 -0.53 -0.01 0.00 -0.01 0.00 0.00 64.34 63.87 3i1t n VAL 24 Cb 0.29 -0.70 0.01 0.00 -0.91 0.00 0.00 33.84 32.52 3i1t n VAL 24 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3i1t n THR 25 N -2.54 -0.46 -1.42 2.52 -1.04 -1.26 -4.90 114.28 105.18 3i1t n THR 25 Ca -0.22 -0.04 0.18 0.00 -2.04 0.00 0.00 64.05 61.93 3i1t n THR 25 Cb 0.91 -2.57 -0.08 0.00 -1.82 0.00 0.00 70.33 66.77 3i1t n THR 25 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3i1t n SER 26 N -0.86 -8.14 -4.24 8.00 7.64 -1.26 -4.99 113.62 109.77 3i1t n SER 26 Ca -0.02 1.23 -0.16 0.00 1.01 0.00 0.00 58.87 60.92 3i1t n SER 26 Cb 0.51 -4.75 -0.11 0.00 -1.01 0.00 0.00 64.21 58.86 3i1t n SER 26 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i1t s LEU 27 N -7.21 2.46 0.00 -3.43 2.01 -1.26 -4.84 118.68 106.40 3i1t s LEU 27 Ca 0.00 -0.89 0.00 0.00 0.01 0.00 0.00 54.13 53.25 3i1t s LEU 27 Cb 0.00 -0.47 0.00 0.00 0.01 0.00 0.00 46.19 45.73 3i1t s LEU 27 CO 0.00 -0.22 0.00 -1.54 1.01 0.00 0.00 176.35 175.60 3i1t n SER 28 N 0.23 0.00 -3.69 2.29 3.41 -0.75 -4.79 113.62 110.32 3i1t n SER 28 Ca -0.13 -0.57 -0.13 0.00 -0.26 0.00 0.00 58.87 57.78 3i1t n SER 28 Cb 0.58 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 3i1t n SER 28 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i1t s VAL 29 N 0.50 -0.00 0.19 -3.33 0.11 -1.26 -2.43 120.40 114.18 3i1t s VAL 29 Ca 0.00 0.01 -0.32 0.00 -2.93 0.00 0.00 61.98 58.75 3i1t s VAL 29 Cb 0.00 -0.73 -0.11 0.00 -1.53 0.00 0.00 36.38 34.01 3i1t s VAL 29 CO 0.00 0.00 1.61 -0.62 -3.33 0.00 0.00 175.10 172.76 3i1t s ASP 30 N 0.49 6.52 0.34 3.54 3.68 -1.26 -4.87 116.67 125.12 3i1t s ASP 30 Ca -0.02 2.71 0.13 0.00 2.13 0.00 0.00 52.55 57.50 3i1t s ASP 30 Cb -0.04 -2.60 0.97 0.00 -1.45 0.00 0.00 42.92 39.80 3i1t s ASP 30 CO -0.02 -0.87 1.73 0.11 0.13 0.00 0.00 175.17 176.25 3i1t h LYS 31 N 6.59 0.49 0.00 4.34 1.57 -1.95 -3.07 116.57 124.54 3i1t h LYS 31 Ca -0.43 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3i1t h LYS 31 Cb 1.20 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3i1t h LYS 31 CO 0.91 0.33 0.00 2.41 -0.57 0.00 0.00 179.45 182.53 3i1t n THR 32 N -4.83 0.00 -0.02 -0.16 -1.04 -1.26 -4.81 114.28 102.16 3i1t n THR 32 Ca 0.27 0.98 0.00 0.00 -2.04 0.00 0.00 64.05 63.26 3i1t n THR 32 Cb 0.81 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 3i1t n THR 32 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3i1t n SER 33 N -0.63 0.00 -1.23 8.00 7.64 -1.16 -5.03 113.62 121.21 3i1t n SER 33 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 3i1t n SER 33 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 3i1t n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1t n GLY 34 N 5.00 0.78 3.72 0.23 0.00 -1.26 -4.73 105.19 108.93 3i1t n GLY 34 Ca 0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 3i1t n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i1t s GLU 35 N 0.00 4.37 -0.53 1.61 2.02 -1.26 -4.98 118.70 119.92 3i1t s GLU 35 Ca 0.18 0.57 -0.28 0.00 0.02 0.00 0.00 54.97 55.46 3i1t s GLU 35 Cb 0.21 -3.44 0.03 0.00 0.10 0.00 0.00 34.13 31.03 3i1t s GLU 35 CO -0.09 0.13 1.14 -1.59 0.02 0.00 0.00 175.26 174.86 3i1t s LYS 36 N 0.69 3.58 0.18 1.61 -2.85 -1.26 -4.06 119.74 117.64 3i1t s LYS 36 Ca 0.29 0.33 0.11 0.00 -1.00 0.00 0.00 55.97 55.70 3i1t s LYS 36 Cb -0.16 -3.97 -0.04 0.00 -2.06 0.00 0.00 37.83 31.60 3i1t s LYS 36 CO 0.12 -1.53 -0.23 -3.38 0.10 0.00 0.00 175.35 170.43 3i1t s HIS 37 N 4.63 2.20 0.38 1.78 -3.43 -1.02 -4.92 115.29 114.90 3i1t s HIS 37 Ca 0.44 -0.38 -0.27 0.00 -0.80 0.00 0.00 55.06 54.05 3i1t s HIS 37 Cb -0.08 -1.10 -0.11 0.00 -1.43 0.00 0.00 32.58 29.86 3i1t s HIS 37 CO 0.28 0.45 1.24 1.28 -2.00 0.00 0.00 174.74 175.98 3i1t n LEU 38 N 0.36 3.53 -4.77 5.38 4.77 -1.26 -1.81 117.00 123.20 3i1t n LEU 38 Ca -0.13 1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 56.59 3i1t n LEU 38 Cb 0.56 -1.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.17 3i1t n LEU 38 CO 0.28 -0.70 1.02 -0.60 -1.33 0.00 0.00 177.39 176.07 3i1t s ARG 39 N -2.00 4.27 -0.69 3.23 3.52 -1.26 -3.14 118.95 122.88 3i1t s ARG 39 Ca 0.58 2.30 -0.02 0.00 -0.13 0.00 0.00 55.73 58.47 3i1t s ARG 39 Cb -0.55 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 3i1t s ARG 39 CO 0.60 -0.29 0.25 0.72 -0.81 0.00 0.00 175.30 175.76 3i1t n HIS 40 N 0.67 -0.83 -3.89 5.12 8.25 -1.26 -5.01 115.22 118.27 3i1t n HIS 40 Ca 0.00 0.21 -0.11 0.00 -0.26 0.00 0.00 57.72 57.56 3i1t n HIS 40 Cb 0.41 -2.52 0.01 0.00 1.12 0.00 0.00 29.99 29.01 3i1t n HIS 40 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3i1t s HIS 41 N -2.78 0.47 -0.12 4.41 -3.43 -1.19 -5.16 115.29 107.50 3i1t s HIS 41 Ca 0.12 -1.02 -0.13 0.00 -0.80 0.00 0.00 55.06 53.23 3i1t s HIS 41 Cb -0.05 0.56 -0.05 0.00 -1.43 0.00 0.00 32.58 31.61 3i1t s HIS 41 CO 0.15 -1.48 0.31 0.42 -2.00 0.00 0.00 174.74 172.14 3i1t s ILE 42 N -2.35 5.27 1.20 -5.38 -1.09 -1.26 -4.87 121.20 112.73 3i1t s ILE 42 Ca 0.21 0.58 -0.19 0.00 -2.23 0.00 0.00 60.65 59.02 3i1t s ILE 42 Cb -0.04 -3.63 0.29 0.00 -1.58 0.00 0.00 42.46 37.50 3i1t s ILE 42 CO 0.15 0.46 1.11 0.42 -1.23 0.00 0.00 174.94 175.85 3i1t s THR 43 N -0.06 1.60 -0.85 2.92 -4.23 -1.03 -4.92 115.64 109.07 3i1t s THR 43 Ca 0.18 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.94 3i1t s THR 43 Cb -0.14 -2.48 0.24 0.00 1.34 0.00 0.00 72.50 71.46 3i1t s THR 43 CO 0.06 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 175.93 3i1t n ALA 44 N -4.77 2.13 0.18 3.99 0.00 -1.26 -2.81 120.51 117.97 3i1t n ALA 44 Ca 0.13 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.60 3i1t n ALA 44 Cb 0.59 -1.42 0.14 0.00 0.00 0.00 0.00 19.45 18.76 3i1t n ALA 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1t n ASP 45 N -1.84 2.78 0.00 0.00 9.92 -1.25 -4.79 116.55 121.37 3i1t n ASP 45 Ca 0.05 -1.82 0.00 0.00 -0.53 0.00 0.00 54.79 52.49 3i1t n ASP 45 Cb 0.33 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 3i1t n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i1t n GLY 46 N 0.86 0.45 3.96 0.44 0.00 -1.12 -4.49 105.19 105.29 3i1t n GLY 46 Ca 0.12 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 3i1t n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i1t s TYR 47 N -2.00 3.41 0.00 1.61 1.51 -1.26 -1.45 117.35 119.17 3i1t s TYR 47 Ca 0.00 0.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.15 3i1t s TYR 47 Cb 0.00 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 3i1t s TYR 47 CO 0.00 0.23 0.00 0.98 -1.11 0.00 0.00 175.55 175.65 3i1t n TYR 48 N -1.61 -0.40 -2.91 2.71 -0.00 -0.80 -2.47 117.16 111.68 3i1t n TYR 48 Ca -0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.77 3i1t n TYR 48 Cb 0.57 0.32 -0.01 0.00 -0.00 0.00 0.00 39.34 40.21 3i1t n TYR 48 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 3i1t s ARG 49 N -0.63 1.02 -1.11 2.98 1.70 -1.26 -4.39 118.95 117.27 3i1t s ARG 49 Ca 0.00 -1.17 0.00 0.00 -0.47 0.00 0.00 55.73 54.09 3i1t s ARG 49 Cb 0.00 -0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.11 3i1t s ARG 49 CO 0.00 -1.33 0.00 0.41 -1.08 0.00 0.00 175.30 173.30 3i1t n GLY 50 N 3.07 1.12 3.07 3.88 0.00 -1.26 -4.97 105.19 110.10 3i1t n GLY 50 Ca 0.19 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 3i1t n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1t s ARG 51 N -2.71 1.30 -0.15 1.61 0.52 -1.26 -5.04 118.95 113.22 3i1t s ARG 51 Ca 0.00 -0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 54.75 3i1t s ARG 51 Cb 0.00 -1.18 0.04 0.00 0.52 0.00 0.00 34.95 34.33 3i1t s ARG 51 CO 0.00 0.19 -0.05 0.21 0.02 0.00 0.00 175.30 175.67 3i1t s LYS 52 N 0.05 1.34 0.00 3.54 2.36 -1.26 -1.91 119.74 123.86 3i1t s LYS 52 Ca -0.02 -0.39 0.00 0.00 -2.55 0.00 0.00 55.97 53.01 3i1t s LYS 52 Cb -0.09 -1.82 0.00 0.00 -1.05 0.00 0.00 37.83 34.87 3i1t s LYS 52 CO 0.01 -0.39 0.00 1.33 1.55 0.00 0.00 175.35 177.85 3i1t n VAL 53 N 4.92 0.00 0.00 4.02 0.24 -0.53 -5.03 118.33 121.96 3i1t n VAL 53 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3i1t n VAL 53 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 3i1t n VAL 53 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3i1t n ILE 54 N 0.00 0.00 0.00 1.34 -5.35 -1.26 -4.98 119.36 109.11 3i1t n ILE 54 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3i1t n ILE 54 Cb 0.00 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3i1t n ILE 54 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1t n ALA 55 N -1.48 0.00 0.40 -1.28 0.00 -1.26 -5.06 120.51 111.83 3i1t n ALA 55 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3i1t n ALA 55 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 3i1t n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13