#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n VAL 2 N 0.00 0.00 -1.67 0.00 0.24 -1.26 -5.11 118.33 110.53 3i1p n VAL 2 Ca 0.00 -1.35 -0.46 0.00 -2.04 0.00 0.00 64.34 60.49 3i1p n VAL 2 Cb 0.00 0.59 -0.04 0.00 -1.47 0.00 0.00 33.84 32.92 3i1p n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1p n GLN 3 N -0.42 2.40 -0.30 7.34 10.64 -1.26 -4.88 117.38 130.90 3i1p n GLN 3 Ca 0.01 0.87 0.06 0.00 -1.83 0.00 0.00 57.00 56.12 3i1p n GLN 3 Cb 0.34 -2.78 0.20 0.00 -0.86 0.00 0.00 30.24 27.14 3i1p n GLN 3 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 3i1p n GLN 4 N 7.04 2.33 -3.63 2.61 7.27 -1.26 -4.77 117.38 126.97 3i1p n GLN 4 Ca 0.22 -1.61 -0.03 0.00 0.07 0.00 0.00 57.00 55.64 3i1p n GLN 4 Cb 0.34 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 31.42 3i1p n GLN 4 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 3i1p s ASN 5 N -0.85 -0.65 0.10 1.69 3.04 -1.26 -5.14 114.94 111.87 3i1p s ASN 5 Ca 0.29 1.03 -0.31 0.00 0.04 0.00 0.00 52.86 53.91 3i1p s ASN 5 Cb 0.17 1.30 -0.09 0.00 -1.54 0.00 0.00 41.25 41.09 3i1p s ASN 5 CO 0.17 -0.16 1.61 -0.75 -3.04 0.00 0.00 177.10 174.93 3i1p s LYS 6 N 1.50 4.21 1.15 0.43 2.20 -1.26 -4.98 119.74 122.98 3i1p s LYS 6 Ca -0.09 2.32 -0.14 0.00 -0.36 0.00 0.00 55.97 57.70 3i1p s LYS 6 Cb -0.04 -3.45 0.23 0.00 -1.51 0.00 0.00 37.83 33.05 3i1p s LYS 6 CO -0.16 -0.68 0.72 -2.30 -0.36 0.00 0.00 175.35 172.56 3i1p n PRO 7 N 5.04 -2.14 -0.27 4.03 -0.02 -1.26 -5.05 135.00 135.35 3i1p n PRO 7 Ca 0.15 -0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 3i1p n PRO 7 Cb 0.40 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3i1p n PRO 7 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i1p n THR 8 N -4.78 0.00 -0.02 3.45 -2.24 -1.26 -5.03 114.28 104.40 3i1p n THR 8 Ca 0.03 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.85 3i1p n THR 8 Cb 0.56 -1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 67.56 3i1p n THR 8 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3i1p n ARG 9 N -0.30 0.68 -0.03 -0.78 1.85 -1.26 -3.96 116.66 112.85 3i1p n ARG 9 Ca 0.00 -0.10 -0.15 0.00 -1.00 0.00 0.00 57.85 56.60 3i1p n ARG 9 Cb 0.00 -1.32 -0.10 0.00 -1.05 0.00 0.00 32.46 29.99 3i1p n ARG 9 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3i1p h SER 10 N 0.00 0.32 -0.08 2.89 0.87 -1.99 -1.93 113.55 113.64 3i1p h SER 10 Ca -0.06 -0.66 -0.09 0.00 -1.23 0.00 0.00 61.79 59.75 3i1p h SER 10 Cb 0.83 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 3i1p h SER 10 CO 0.00 0.92 -0.21 0.50 -0.53 0.00 0.00 176.83 177.51 3i1p h LYS 11 N -0.27 0.48 -0.60 2.24 1.63 -1.98 0.00 116.57 118.08 3i1p h LYS 11 Ca -0.02 -0.17 0.03 0.00 -0.85 0.00 0.00 60.65 59.64 3i1p h LYS 11 Cb 0.92 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.48 3i1p h LYS 11 CO 0.05 0.67 0.40 -0.09 -3.45 0.00 0.00 179.45 177.03 3i1p h ARG 12 N 0.44 0.69 0.73 1.90 2.43 -1.68 0.24 114.38 119.13 3i1p h ARG 12 Ca 0.07 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3i1p h ARG 12 Cb 0.61 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3i1p h ARG 12 CO 0.04 0.46 -0.35 0.78 -1.51 0.00 0.00 179.97 179.39 3i1p h GLY 13 N 0.71 -1.02 -0.35 2.80 0.00 -0.26 -2.71 103.07 102.24 3i1p h GLY 13 Ca 0.24 0.38 0.17 0.00 0.00 0.00 0.00 47.33 48.11 3i1p h GLY 13 CO -0.06 -0.37 -0.01 -0.33 0.00 0.00 0.00 176.54 175.76 3i1p h MET 14 N -1.21 0.09 0.00 4.80 2.86 -0.70 0.77 114.93 121.54 3i1p h MET 14 Ca -0.10 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3i1p h MET 14 Cb 0.77 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.41 3i1p h MET 14 CO 0.16 0.06 0.00 -0.09 1.06 0.00 0.00 176.91 178.10 3i1p h ARG 15 N 0.09 0.00 0.00 1.72 2.43 -0.54 -2.49 114.38 115.60 3i1p h ARG 15 Ca 0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 3i1p h ARG 15 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3i1p h ARG 15 CO -0.66 0.00 -1.54 0.54 -1.51 0.00 0.00 179.97 176.79 3i1p n ARG 16 N -2.96 0.64 -0.34 0.20 1.74 0.25 -4.63 116.66 111.56 3i1p n ARG 16 Ca -0.02 -0.12 0.25 0.00 -0.77 0.00 0.00 57.85 57.19 3i1p n ARG 16 Cb 0.09 -1.44 0.49 0.00 -1.02 0.00 0.00 32.46 30.58 3i1p n ARG 16 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3i1p h SER 17 N 0.00 0.50 0.11 0.55 4.64 -0.50 1.21 113.55 120.06 3i1p h SER 17 Ca 0.00 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3i1p h SER 17 Cb 0.74 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3i1p h SER 17 CO 0.00 -0.13 0.00 1.41 -0.87 0.00 0.00 176.83 177.24 3i1p n HIS 18 N -5.01 0.00 0.68 4.77 8.25 -1.26 -2.95 115.22 119.69 3i1p n HIS 18 Ca 0.32 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.83 3i1p n HIS 18 Cb 1.01 -0.07 0.17 0.00 1.12 0.00 0.00 29.99 32.22 3i1p n HIS 18 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3i1p n ASP 19 N -1.07 2.24 -4.73 0.41 10.43 0.42 -4.87 116.55 119.38 3i1p n ASP 19 Ca 0.19 -2.11 -0.42 0.00 2.57 0.00 0.00 54.79 55.02 3i1p n ASP 19 Cb 0.12 -0.32 -0.03 0.00 1.84 0.00 0.00 41.12 42.73 3i1p n ASP 19 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i1p s ALA 20 N -1.60 3.76 0.00 2.24 0.00 -1.15 -5.01 121.76 120.00 3i1p s ALA 20 Ca 0.25 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.61 3i1p s ALA 20 Cb 0.14 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3i1p s ALA 20 CO 0.14 -0.81 0.00 1.28 0.00 0.00 0.00 175.76 176.37 3i1p n LEU 21 N 3.41 0.00 -3.49 0.00 4.77 -1.26 -5.10 117.00 115.33 3i1p n LEU 21 Ca 0.12 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 3i1p n LEU 21 Cb 0.38 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3i1p n LEU 21 CO 0.62 0.00 0.49 0.28 -1.33 0.00 0.00 177.39 177.45 3i1p s THR 22 N 0.00 0.00 0.44 -5.08 -1.32 -1.26 -5.18 115.64 103.24 3i1p s THR 22 Ca 0.00 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.41 3i1p s THR 22 Cb 0.00 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 3i1p s THR 22 CO 0.00 0.00 0.60 0.00 -2.21 0.00 0.00 174.62 173.01 3i1p n ALA 23 N 0.24 -0.64 -0.05 11.08 0.00 -1.26 -5.02 120.51 124.86 3i1p n ALA 23 Ca -0.16 -0.81 -0.03 0.00 0.00 0.00 0.00 53.44 52.44 3i1p n ALA 23 Cb 0.61 -0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 3i1p n ALA 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1p n VAL 24 N -2.78 0.65 -2.49 0.00 0.31 -1.26 -5.05 118.33 107.71 3i1p n VAL 24 Ca 0.08 -0.48 -0.06 0.00 -0.01 0.00 0.00 64.34 63.86 3i1p n VAL 24 Cb 0.27 -0.45 0.03 0.00 -0.91 0.00 0.00 33.84 32.78 3i1p n VAL 24 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3i1p n THR 25 N -2.35 -2.50 -1.34 2.52 -1.04 -1.26 -4.89 114.28 103.43 3i1p n THR 25 Ca -0.16 -0.23 0.16 0.00 -2.04 0.00 0.00 64.05 61.78 3i1p n THR 25 Cb 0.77 -3.56 -0.07 0.00 -1.82 0.00 0.00 70.33 65.66 3i1p n THR 25 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3i1p n SER 26 N -1.85 -7.35 -4.26 8.00 7.64 -1.26 -4.98 113.62 109.57 3i1p n SER 26 Ca -0.10 1.06 -0.19 0.00 1.01 0.00 0.00 58.87 60.65 3i1p n SER 26 Cb 0.56 -4.43 -0.11 0.00 -1.01 0.00 0.00 64.21 59.21 3i1p n SER 26 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i1p s LEU 27 N -6.82 2.39 0.00 -3.43 2.01 -1.26 -4.83 118.68 106.74 3i1p s LEU 27 Ca 0.00 -0.80 -0.01 0.00 0.01 0.00 0.00 54.13 53.33 3i1p s LEU 27 Cb 0.00 -0.62 0.02 0.00 0.01 0.00 0.00 46.19 45.60 3i1p s LEU 27 CO 0.00 -0.11 0.12 -1.54 1.01 0.00 0.00 176.35 175.83 3i1p n SER 28 N 0.58 0.06 -3.69 2.29 3.41 -0.57 -4.75 113.62 110.93 3i1p n SER 28 Ca -0.16 -1.07 -0.11 0.00 -0.26 0.00 0.00 58.87 57.27 3i1p n SER 28 Cb 0.57 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 3i1p n SER 28 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i1p s VAL 29 N -0.82 -0.01 0.26 -3.33 0.11 -1.26 -1.56 120.40 113.78 3i1p s VAL 29 Ca 0.07 0.05 -0.31 0.00 -2.93 0.00 0.00 61.98 58.86 3i1p s VAL 29 Cb -0.00 -0.69 -0.12 0.00 -1.53 0.00 0.00 36.38 34.04 3i1p s VAL 29 CO 0.05 0.02 1.63 -0.67 -3.33 0.00 0.00 175.10 172.80 3i1p n ASP 30 N 3.76 3.85 -0.33 3.54 4.64 -1.26 -4.86 116.55 125.89 3i1p n ASP 30 Ca -0.19 1.12 0.15 0.00 -1.38 0.00 0.00 54.79 54.49 3i1p n ASP 30 Cb 0.56 -1.58 0.38 0.00 -1.04 0.00 0.00 41.12 39.45 3i1p n ASP 30 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3i1p h LYS 31 N 5.47 0.63 0.00 -0.67 1.57 -1.94 -3.10 116.57 118.53 3i1p h LYS 31 Ca -0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3i1p h LYS 31 Cb 1.22 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3i1p h LYS 31 CO 0.85 0.42 0.00 2.41 -0.57 0.00 0.00 179.45 182.56 3i1p n THR 32 N -4.70 0.00 0.00 -0.16 -1.04 -1.26 -4.82 114.28 102.30 3i1p n THR 32 Ca 0.23 0.87 0.00 0.00 -2.04 0.00 0.00 64.05 63.11 3i1p n THR 32 Cb 0.63 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 3i1p n THR 32 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3i1p n SER 33 N -0.58 0.00 -0.94 8.00 7.64 -1.17 -5.03 113.62 121.53 3i1p n SER 33 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 3i1p n SER 33 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 3i1p n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1p n GLY 34 N 4.98 0.73 3.69 0.23 0.00 -1.26 -4.83 105.19 108.74 3i1p n GLY 34 Ca 0.00 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 3i1p n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i1p s GLU 35 N 0.00 4.28 -0.68 1.61 2.02 -1.26 -5.00 118.70 119.67 3i1p s GLU 35 Ca 0.08 0.47 -0.27 0.00 0.02 0.00 0.00 54.97 55.27 3i1p s GLU 35 Cb 0.10 -3.50 0.03 0.00 0.10 0.00 0.00 34.13 30.86 3i1p s GLU 35 CO -0.04 0.00 1.31 -1.59 0.02 0.00 0.00 175.26 174.96 3i1p s LYS 36 N 1.12 3.24 0.15 1.61 -2.85 -1.25 -4.06 119.74 117.70 3i1p s LYS 36 Ca 0.26 -0.03 0.08 0.00 -1.00 0.00 0.00 55.97 55.29 3i1p s LYS 36 Cb -0.15 -4.15 -0.04 0.00 -2.06 0.00 0.00 37.83 31.42 3i1p s LYS 36 CO 0.10 -2.06 -0.11 -3.38 0.10 0.00 0.00 175.35 170.00 3i1p s HIS 37 N 5.79 2.65 0.31 1.78 -3.43 -0.60 -4.88 115.29 116.90 3i1p s HIS 37 Ca 0.40 -0.21 -0.29 0.00 -0.80 0.00 0.00 55.06 54.16 3i1p s HIS 37 Cb -0.08 -1.33 -0.13 0.00 -1.43 0.00 0.00 32.58 29.60 3i1p s HIS 37 CO 0.18 0.47 1.25 1.28 -2.00 0.00 0.00 174.74 175.93 3i1p n LEU 38 N 0.30 3.03 -4.77 5.38 4.77 -1.26 -1.52 117.00 122.93 3i1p n LEU 38 Ca -0.12 1.19 -0.40 0.00 -0.03 0.00 0.00 56.01 56.65 3i1p n LEU 38 Cb 0.54 -1.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.21 3i1p n LEU 38 CO 0.34 -0.71 1.01 -0.60 -1.33 0.00 0.00 177.39 176.10 3i1p s ARG 39 N -1.49 3.99 -0.64 3.23 3.52 -1.26 -3.33 118.95 122.97 3i1p s ARG 39 Ca 0.59 2.27 -0.00 0.00 -0.13 0.00 0.00 55.73 58.45 3i1p s ARG 39 Cb -0.62 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 3i1p s ARG 39 CO 0.59 -0.51 0.06 0.72 -0.81 0.00 0.00 175.30 175.35 3i1p n HIS 40 N 0.22 -0.47 -3.74 5.12 8.25 -1.26 -5.02 115.22 118.32 3i1p n HIS 40 Ca 0.03 0.05 -0.09 0.00 -0.26 0.00 0.00 57.72 57.46 3i1p n HIS 40 Cb 0.42 -2.16 0.00 0.00 1.12 0.00 0.00 29.99 29.38 3i1p n HIS 40 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3i1p n HIS 41 N -3.93 -1.73 -3.55 4.41 1.44 -1.21 -5.16 115.22 105.49 3i1p n HIS 41 Ca -0.08 -1.59 -0.37 0.00 -2.01 0.00 0.00 57.72 53.67 3i1p n HIS 41 Cb 0.56 0.60 -0.07 0.00 0.12 0.00 0.00 29.99 31.21 3i1p n HIS 41 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3i1p s ILE 42 N -2.48 5.26 1.07 0.61 -1.09 -1.26 -4.87 121.20 118.44 3i1p s ILE 42 Ca 0.16 0.60 -0.15 0.00 -2.23 0.00 0.00 60.65 59.03 3i1p s ILE 42 Cb -0.03 -3.64 0.22 0.00 -1.58 0.00 0.00 42.46 37.44 3i1p s ILE 42 CO 0.12 0.45 1.11 0.42 -1.23 0.00 0.00 174.94 175.81 3i1p s THR 43 N -0.01 1.86 0.16 2.92 -4.23 -1.08 -4.92 115.64 110.35 3i1p s THR 43 Ca 0.18 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 61.01 3i1p s THR 43 Cb -0.14 -2.52 0.36 0.00 1.34 0.00 0.00 72.50 71.54 3i1p s THR 43 CO 0.06 0.00 1.98 0.00 -0.54 0.00 0.00 174.62 176.12 3i1p h ALA 44 N -2.13 1.02 -0.34 3.99 0.00 -1.91 -2.73 119.26 117.16 3i1p h ALA 44 Ca -0.51 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3i1p h ALA 44 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3i1p h ALA 44 CO 0.49 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.56 3i1p n ASP 45 N -3.19 3.39 0.00 0.00 9.92 -1.26 -4.78 116.55 120.64 3i1p n ASP 45 Ca 0.00 -1.99 0.00 0.00 -0.53 0.00 0.00 54.79 52.28 3i1p n ASP 45 Cb 0.31 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 3i1p n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i1p n GLY 46 N 1.45 0.66 3.94 0.44 0.00 -1.03 -4.52 105.19 106.14 3i1p n GLY 46 Ca 0.18 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 3i1p n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i1p s TYR 47 N -2.00 3.26 0.00 1.61 1.51 -1.26 -2.32 117.35 118.15 3i1p s TYR 47 Ca 0.00 0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.41 3i1p s TYR 47 Cb 0.00 -2.38 0.00 0.00 -0.11 0.00 0.00 41.96 39.47 3i1p s TYR 47 CO 0.00 -0.43 0.00 0.98 -1.11 0.00 0.00 175.55 174.99 3i1p n TYR 48 N -2.18 -0.38 -2.98 2.71 -0.00 -0.87 -2.62 117.16 110.83 3i1p n TYR 48 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.80 3i1p n TYR 48 Cb 0.57 0.17 -0.03 0.00 -0.00 0.00 0.00 39.34 40.06 3i1p n TYR 48 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 3i1p s ARG 49 N -0.35 1.00 -1.86 2.98 1.70 -1.26 -4.27 118.95 116.90 3i1p s ARG 49 Ca 0.00 -1.35 0.00 0.00 -0.47 0.00 0.00 55.73 53.91 3i1p s ARG 49 Cb 0.00 -0.48 0.00 0.00 -0.57 0.00 0.00 34.95 33.90 3i1p s ARG 49 CO 0.00 -1.34 0.00 0.41 -1.08 0.00 0.00 175.30 173.29 3i1p n GLY 50 N 2.99 1.57 2.93 3.88 0.00 -1.26 -4.97 105.19 110.34 3i1p n GLY 50 Ca 0.21 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3i1p n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1p s ARG 51 N -3.63 1.02 -0.20 1.61 0.52 -1.26 -5.03 118.95 111.98 3i1p s ARG 51 Ca 0.00 -0.19 0.01 0.00 -0.52 0.00 0.00 55.73 55.03 3i1p s ARG 51 Cb 0.00 -0.95 0.04 0.00 0.52 0.00 0.00 34.95 34.56 3i1p s ARG 51 CO 0.00 -0.04 -0.09 0.21 0.02 0.00 0.00 175.30 175.40 3i1p s LYS 52 N 0.78 1.89 0.00 3.54 2.36 -1.26 -2.05 119.74 125.00 3i1p s LYS 52 Ca -0.12 -0.82 0.00 0.00 -2.55 0.00 0.00 55.97 52.48 3i1p s LYS 52 Cb -0.14 -2.39 0.00 0.00 -1.05 0.00 0.00 37.83 34.25 3i1p s LYS 52 CO 0.01 -0.45 0.00 1.33 1.55 0.00 0.00 175.35 177.79 3i1p n VAL 53 N 4.71 0.00 0.00 4.02 0.24 -0.98 -5.05 118.33 121.27 3i1p n VAL 53 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3i1p n VAL 53 Cb 0.46 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 3i1p n VAL 53 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3i1p n ILE 54 N 0.00 0.00 0.00 1.34 -5.35 -1.26 -4.99 119.36 109.10 3i1p n ILE 54 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3i1p n ILE 54 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3i1p n ILE 54 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1p n ALA 55 N -1.54 0.00 0.56 -1.28 0.00 -1.26 -5.06 120.51 111.92 3i1p n ALA 55 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3i1p n ALA 55 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 3i1p n ALA 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13