#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n ILE 2 N 0.00 -0.38 -3.69 1.12 2.08 -1.26 -4.05 119.36 113.18 3i22 n ILE 2 Ca 0.00 1.98 -0.14 0.00 0.56 0.00 0.00 62.75 65.15 3i22 n ILE 2 Cb 0.00 -2.92 -0.14 0.00 -0.75 0.00 0.00 39.64 35.83 3i22 n ILE 2 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3i22 s ARG 3 N -5.83 0.12 0.02 0.38 0.52 -1.26 -5.12 118.95 107.78 3i22 s ARG 3 Ca -0.11 0.60 -0.25 0.00 -0.52 0.00 0.00 55.73 55.44 3i22 s ARG 3 Cb 0.27 -0.13 -0.13 0.00 0.52 0.00 0.00 34.95 35.48 3i22 s ARG 3 CO 0.71 -0.25 0.66 0.39 0.02 0.00 0.00 175.30 176.83 3i22 n GLU 4 N 4.93 0.00 0.25 3.54 -0.58 -1.26 -4.74 120.64 122.80 3i22 n GLU 4 Ca -0.13 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.75 3i22 n GLU 4 Cb 0.51 -0.95 0.82 0.00 -0.57 0.00 0.00 31.44 31.25 3i22 n GLU 4 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3i22 h GLU 5 N 1.81 0.00 -0.94 3.49 4.11 -1.98 -0.13 114.58 120.95 3i22 h GLU 5 Ca -0.32 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.29 3i22 h GLU 5 Cb 0.95 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.12 3i22 h GLU 5 CO 0.42 0.00 0.60 0.00 0.07 0.00 0.00 179.01 180.10 3i22 h ARG 6 N 0.00 0.59 0.00 1.06 3.08 -2.03 0.14 114.38 117.22 3i22 h ARG 6 Ca 0.03 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 3i22 h ARG 6 Cb 0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3i22 h ARG 6 CO -0.00 0.39 -0.85 1.25 -1.07 0.00 0.00 179.97 179.69 3i22 h LEU 7 N 0.60 0.00 0.00 3.04 6.46 -1.34 -3.32 115.31 120.75 3i22 h LEU 7 Ca 0.50 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.26 3i22 h LEU 7 Cb 0.96 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 3i22 h LEU 7 CO -0.24 0.55 0.00 0.18 -0.62 0.00 0.00 178.44 178.31 3i22 n LEU 8 N -3.11 0.00 -1.69 2.25 4.77 0.50 -3.53 117.00 116.18 3i22 n LEU 8 Ca -0.02 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.90 3i22 n LEU 8 Cb 0.78 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.85 3i22 n LEU 8 CO 0.42 0.00 1.16 2.29 -1.33 0.00 0.00 177.39 179.93 3i22 n LYS 9 N -0.77 1.37 -0.04 3.23 0.00 -1.22 -4.47 118.16 116.25 3i22 n LYS 9 Ca 0.04 -0.56 -0.01 0.00 -0.00 0.00 0.00 58.31 57.79 3i22 n LYS 9 Cb 0.02 -1.32 -0.00 0.00 -0.00 0.00 0.00 35.03 33.73 3i22 n LYS 9 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 3i22 h VAL 10 N 1.19 0.00 -2.00 0.58 -1.51 -1.92 -3.47 116.25 109.12 3i22 h VAL 10 Ca 0.10 -0.79 -0.58 0.00 -1.23 0.00 0.00 66.70 64.20 3i22 h VAL 10 Cb 1.05 0.00 0.20 0.00 -2.13 0.00 0.00 31.29 30.41 3i22 h VAL 10 CO 0.22 0.00 -1.43 0.18 -1.23 0.00 0.00 177.57 175.32 3i22 n LEU 11 N -4.18 -4.58 0.00 4.19 4.32 -1.26 -4.44 117.00 111.05 3i22 n LEU 11 Ca -0.01 0.47 0.00 0.00 -0.02 0.00 0.00 56.01 56.45 3i22 n LEU 11 Cb 0.04 -0.81 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 3i22 n LEU 11 CO 0.02 -5.27 -0.19 0.54 -1.22 0.00 0.00 177.39 171.27 3i22 n ARG 12 N 1.88 2.31 -3.55 3.23 3.00 -1.26 -4.93 116.66 117.34 3i22 n ARG 12 Ca 0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 57.85 57.80 3i22 n ARG 12 Cb 0.50 -0.69 -0.02 0.00 0.00 0.00 0.00 32.46 32.26 3i22 n ARG 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i22 s ALA 13 N -1.14 -1.74 0.00 7.54 0.00 -1.26 -5.01 121.76 120.14 3i22 s ALA 13 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3i22 s ALA 13 Cb 0.00 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.66 3i22 s ALA 13 CO 0.00 -0.78 0.00 -0.35 0.00 0.00 0.00 175.76 174.63 3i22 n PRO 14 N -0.32 0.00 0.00 0.00 -0.04 -1.26 -0.86 135.00 132.52 3i22 n PRO 14 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 3i22 n PRO 14 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 3i22 n PRO 14 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3i22 n HIS 15 N 0.00 0.00 -3.26 0.54 -0.00 -1.26 -3.58 115.22 107.66 3i22 n HIS 15 Ca 0.00 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.98 3i22 n HIS 15 Cb 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 29.89 3i22 n HIS 15 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3i22 n VAL 16 N 0.00 -7.33 -3.19 3.57 0.31 -1.26 -5.03 118.33 105.40 3i22 n VAL 16 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 3i22 n VAL 16 Cb 0.00 -5.30 -0.02 0.00 -0.91 0.00 0.00 33.84 27.62 3i22 n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3i22 s SER 17 N -2.36 -1.07 0.00 4.52 0.01 -1.26 -5.05 113.70 108.49 3i22 s SER 17 Ca 0.21 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.53 3i22 s SER 17 Cb -0.04 1.78 0.00 0.00 0.21 0.00 0.00 66.02 67.98 3i22 s SER 17 CO 0.82 -0.31 0.00 -1.84 0.41 0.00 0.00 173.24 172.32 3i22 n GLU 18 N 5.40 0.00 -1.36 12.44 0.00 -1.26 -3.94 120.64 131.92 3i22 n GLU 18 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.95 3i22 n GLU 18 Cb 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.86 3i22 n GLU 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3i22 n LYS 19 N 9.94 0.32 0.00 3.44 4.76 -1.26 -1.50 118.16 133.86 3i22 n LYS 19 Ca 0.00 -1.64 0.00 0.00 -2.87 0.00 0.00 58.31 53.80 3i22 n LYS 19 Cb 0.00 -3.54 0.00 0.00 -1.84 0.00 0.00 35.03 29.65 3i22 n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i22 n ALA 20 N 16.22 0.00 -1.80 7.82 0.00 -1.25 -4.94 120.51 136.56 3i22 n ALA 20 Ca 0.43 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.90 3i22 n ALA 20 Cb 0.45 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.94 3i22 n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i22 n SER 21 N 0.00 0.54 0.00 0.00 3.41 -0.56 -3.49 113.62 113.52 3i22 n SER 21 Ca 0.00 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 3i22 n SER 21 Cb 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3i22 n SER 21 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i22 n THR 22 N -0.32 0.00 -0.28 6.66 -2.24 -0.57 -4.59 114.28 112.95 3i22 n THR 22 Ca 0.04 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.92 3i22 n THR 22 Cb 0.69 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.26 3i22 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i22 h ALA 23 N 0.96 1.74 0.31 6.98 0.00 -1.95 0.54 119.26 127.85 3i22 h ALA 23 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3i22 h ALA 23 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3i22 h ALA 23 CO 0.00 0.04 -0.15 0.52 0.00 0.00 0.00 179.25 179.66 3i22 h MET 24 N 0.78 -0.41 -0.70 0.00 2.86 -1.87 -2.55 114.93 113.04 3i22 h MET 24 Ca 0.44 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 58.24 3i22 h MET 24 Cb 0.59 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 32.24 3i22 h MET 24 CO -0.20 -0.08 0.22 1.49 1.06 0.00 0.00 176.91 179.40 3i22 h GLU 25 N -0.93 0.34 -0.31 1.72 4.57 -1.33 0.80 114.58 119.44 3i22 h GLU 25 Ca -0.04 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 3i22 h GLU 25 Cb 0.51 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 3i22 h GLU 25 CO 0.07 0.23 0.09 -0.22 -1.18 0.00 0.00 179.01 177.99 3i22 h LYS 26 N 0.35 0.20 0.44 1.92 3.64 0.03 -2.35 116.57 120.81 3i22 h LYS 26 Ca 0.38 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 3i22 h LYS 26 Cb 0.58 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3i22 h LYS 26 CO -0.42 0.14 -0.21 1.03 -2.27 0.00 0.00 179.45 177.71 3i22 h SER 27 N 0.21 -0.50 -5.96 4.20 0.87 -0.86 -3.49 113.55 108.02 3i22 h SER 27 Ca 0.14 -0.04 0.40 0.00 -1.23 0.00 0.00 61.79 61.06 3i22 h SER 27 Cb 0.13 0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 62.12 3i22 h SER 27 CO -0.16 -0.28 0.99 0.54 -0.53 0.00 0.00 176.83 177.39 3i22 s ASN 28 N -4.75 -0.00 0.35 6.23 4.22 0.27 -5.09 114.94 116.17 3i22 s ASN 28 Ca -0.16 -0.04 0.00 0.00 -2.14 0.00 0.00 52.86 50.53 3i22 s ASN 28 Cb 0.03 0.03 0.00 0.00 1.28 0.00 0.00 41.25 42.59 3i22 s ASN 28 CO 0.60 -0.06 0.00 1.07 -2.04 0.00 0.00 177.10 176.67 3i22 n THR 29 N -0.81 -1.79 -5.05 0.54 5.66 -1.26 -3.01 114.28 108.56 3i22 n THR 29 Ca 0.01 0.89 -0.29 0.00 -3.05 0.00 0.00 64.05 61.60 3i22 n THR 29 Cb 0.60 -1.46 -0.15 0.00 -1.55 0.00 0.00 70.33 67.77 3i22 n THR 29 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3i22 s ILE 30 N -4.77 1.93 0.01 1.09 1.10 -1.26 -3.55 121.20 115.75 3i22 s ILE 30 Ca 0.00 -1.14 -0.04 0.00 -0.51 0.00 0.00 60.65 58.96 3i22 s ILE 30 Cb 0.00 -1.62 -0.04 0.00 0.15 0.00 0.00 42.46 40.95 3i22 s ILE 30 CO 0.00 0.45 0.22 0.68 -2.11 0.00 0.00 174.94 174.18 3i22 s VAL 31 N -0.66 5.38 -0.08 4.00 -7.23 -1.23 -2.37 120.40 118.21 3i22 s VAL 31 Ca 0.10 -0.08 -0.31 0.00 -1.81 0.00 0.00 61.98 59.87 3i22 s VAL 31 Cb -0.09 -3.56 0.12 0.00 0.56 0.00 0.00 36.38 33.40 3i22 s VAL 31 CO 0.00 0.30 1.01 -1.48 -0.31 0.00 0.00 175.10 174.62 3i22 s LEU 32 N -2.00 -0.28 0.76 1.32 2.34 -1.25 -4.38 118.68 115.19 3i22 s LEU 32 Ca 0.29 0.02 -0.16 0.00 0.06 0.00 0.00 54.13 54.33 3i22 s LEU 32 Cb -0.13 1.78 -0.08 0.00 -0.56 0.00 0.00 46.19 47.20 3i22 s LEU 32 CO 0.19 -0.46 0.11 1.17 -1.06 0.00 0.00 176.35 176.30 3i22 n LYS 33 N -0.14 0.12 -0.03 1.48 3.00 -0.04 -2.96 118.16 119.59 3i22 n LYS 33 Ca -0.05 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 3i22 n LYS 33 Cb 0.60 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.14 3i22 n LYS 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i22 n VAL 34 N -2.35 0.00 -0.22 3.15 0.31 -1.23 -4.42 118.33 113.57 3i22 n VAL 34 Ca 0.07 -0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.42 3i22 n VAL 34 Cb 0.51 0.97 -0.01 0.00 -0.91 0.00 0.00 33.84 34.40 3i22 n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i22 n ALA 35 N -0.00 -0.58 -0.03 3.52 0.00 -1.26 -3.95 120.51 118.21 3i22 n ALA 35 Ca 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 3i22 n ALA 35 Cb 0.51 -0.22 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 3i22 n ALA 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i22 h LYS 36 N -0.21 0.28 -0.79 0.00 3.64 -1.93 -3.24 116.57 114.32 3i22 h LYS 36 Ca -0.02 -0.24 0.14 0.00 -1.27 0.00 0.00 60.65 59.26 3i22 h LYS 36 Cb 0.21 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.99 3i22 h LYS 36 CO 0.01 0.90 0.37 -0.44 -2.27 0.00 0.00 179.45 178.01 3i22 h ASP 37 N -0.27 0.41 -2.28 4.20 3.45 -2.00 -3.48 116.42 116.45 3i22 h ASP 37 Ca -0.02 0.10 0.25 0.00 0.43 0.00 0.00 57.03 57.78 3i22 h ASP 37 Cb 0.97 0.04 -0.08 0.00 -0.56 0.00 0.00 39.33 39.70 3i22 h ASP 37 CO 0.06 0.17 -0.43 0.00 -1.57 0.00 0.00 179.24 177.47 3i22 n ALA 38 N -2.46 -3.17 0.00 3.45 0.00 -1.22 -5.03 120.51 112.08 3i22 n ALA 38 Ca 0.15 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3i22 n ALA 38 Cb 0.40 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3i22 n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i22 n THR 39 N -3.16 0.00 0.00 0.00 5.66 -1.26 -4.98 114.28 110.54 3i22 n THR 39 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 3i22 n THR 39 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 3i22 n THR 39 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3i22 n LYS 40 N 0.00 0.00 0.03 1.09 4.81 -1.26 -4.52 118.16 118.31 3i22 n LYS 40 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 3i22 n LYS 40 Cb 0.00 -2.19 -0.07 0.00 0.02 0.00 0.00 35.03 32.79 3i22 n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i22 n ALA 41 N 0.42 3.11 -0.09 3.14 0.00 -1.26 -4.06 120.51 121.77 3i22 n ALA 41 Ca 0.00 -0.43 0.07 0.00 0.00 0.00 0.00 53.44 53.08 3i22 n ALA 41 Cb 0.00 -0.90 0.17 0.00 0.00 0.00 0.00 19.45 18.72 3i22 n ALA 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i22 n GLU 42 N -2.19 2.53 -0.08 0.00 1.02 -1.26 -4.19 120.64 116.48 3i22 n GLU 42 Ca -0.01 -2.05 -0.19 0.00 -0.02 0.00 0.00 57.16 54.90 3i22 n GLU 42 Cb 0.50 -1.32 -0.13 0.00 -0.02 0.00 0.00 31.44 30.47 3i22 n GLU 42 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3i22 n ILE 43 N 0.77 1.59 0.10 -3.67 3.06 -1.26 -2.34 119.36 117.61 3i22 n ILE 43 Ca 0.13 -0.61 0.04 0.00 -2.50 0.00 0.00 62.75 59.81 3i22 n ILE 43 Cb 0.45 -1.49 0.44 0.00 0.54 0.00 0.00 39.64 39.58 3i22 n ILE 43 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3i22 h LYS 44 N 0.03 0.31 0.00 9.51 3.64 -1.77 -1.74 116.57 126.54 3i22 h LYS 44 Ca -0.52 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3i22 h LYS 44 Cb 1.96 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.72 3i22 h LYS 44 CO -0.02 0.31 -0.26 0.00 -2.27 0.00 0.00 179.45 177.21 3i22 h ALA 45 N 1.74 0.87 0.00 5.00 0.00 -1.73 0.20 119.26 125.34 3i22 h ALA 45 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i22 h ALA 45 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3i22 h ALA 45 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3i22 n ALA 46 N -2.09 2.53 -1.23 0.00 0.00 -0.67 -2.98 120.51 116.07 3i22 n ALA 46 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3i22 n ALA 46 Cb 0.53 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3i22 n ALA 46 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i22 n VAL 47 N -0.90 0.00 -0.01 0.00 0.24 -1.06 -4.53 118.33 112.08 3i22 n VAL 47 Ca 0.17 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.35 3i22 n VAL 47 Cb 0.08 0.83 -0.10 0.00 -1.47 0.00 0.00 33.84 33.18 3i22 n VAL 47 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3i22 h GLN 48 N 0.00 -0.07 0.00 7.34 1.08 -0.50 -3.29 115.11 119.66 3i22 h GLN 48 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3i22 h GLN 48 Cb 1.05 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 3i22 h GLN 48 CO 0.00 0.53 0.00 1.63 -0.95 0.00 0.00 178.83 180.04 3i22 n LYS 49 N -4.80 0.00 -0.71 1.46 4.76 -1.25 -4.72 118.16 112.90 3i22 n LYS 49 Ca -0.08 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.03 3i22 n LYS 49 Cb 0.31 -0.35 0.16 0.00 -1.84 0.00 0.00 35.03 33.31 3i22 n LYS 49 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3i22 n LEU 50 N -0.81 -2.42 -3.96 -0.35 0.00 -1.26 -3.54 117.00 104.66 3i22 n LEU 50 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 56.01 55.61 3i22 n LEU 50 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 43.42 42.52 3i22 n LEU 50 CO 0.00 -3.01 -0.05 0.49 0.00 0.00 0.00 177.39 174.82 3i22 n PHE 51 N -4.33 -1.92 0.00 1.96 3.01 -1.26 -4.38 117.46 110.53 3i22 n PHE 51 Ca 0.00 0.83 0.00 0.00 1.01 0.00 0.00 57.45 59.29 3i22 n PHE 51 Cb 0.64 -3.76 0.00 0.00 -0.01 0.00 0.00 39.48 36.35 3i22 n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i22 n GLU 52 N -4.46 0.00 -0.38 -1.08 -0.58 -1.23 -4.59 120.64 108.31 3i22 n GLU 52 Ca -0.11 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.52 3i22 n GLU 52 Cb 0.59 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.55 3i22 n GLU 52 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3i22 n VAL 53 N 0.00 0.00 -3.63 2.62 0.24 -1.26 -4.71 118.33 111.59 3i22 n VAL 53 Ca 0.00 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3i22 n VAL 53 Cb 0.00 -1.10 0.00 0.00 -1.47 0.00 0.00 33.84 31.27 3i22 n VAL 53 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3i22 n GLU 54 N -2.68 0.44 -4.03 7.34 0.00 -1.24 -4.57 120.64 115.90 3i22 n GLU 54 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.13 3i22 n GLU 54 Cb 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.55 3i22 n GLU 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3i22 s VAL 55 N -1.41 0.17 0.00 3.84 0.11 -1.26 -4.49 120.40 117.36 3i22 s VAL 55 Ca 0.00 -1.41 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 3i22 s VAL 55 Cb 0.00 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 3i22 s VAL 55 CO 0.00 -0.78 0.00 -0.62 -3.33 0.00 0.00 175.10 170.37 3i22 n GLU 56 N 0.69 0.00 -5.20 1.54 4.71 -1.26 -4.90 120.64 116.22 3i22 n GLU 56 Ca -0.18 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.67 3i22 n GLU 56 Cb 0.59 -0.10 -0.16 0.00 -1.01 0.00 0.00 31.44 30.76 3i22 n GLU 56 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3i22 s VAL 57 N 0.00 1.93 0.59 2.62 0.11 -1.26 -5.04 120.40 119.35 3i22 s VAL 57 Ca 0.00 -1.01 -0.05 0.00 -2.93 0.00 0.00 61.98 57.98 3i22 s VAL 57 Cb 0.00 -1.62 0.01 0.00 -1.53 0.00 0.00 36.38 33.24 3i22 s VAL 57 CO 0.00 0.54 0.89 0.54 -3.33 0.00 0.00 175.10 173.74 3i22 s VAL 58 N -0.28 3.52 -0.30 2.04 0.11 -1.25 -4.68 120.40 119.55 3i22 s VAL 58 Ca 0.01 -0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 58.96 3i22 s VAL 58 Cb -0.12 -3.40 0.11 0.00 -1.53 0.00 0.00 36.38 31.45 3i22 s VAL 58 CO 0.02 -0.40 0.18 0.20 -3.33 0.00 0.00 175.10 171.76 3i22 s ASN 59 N -4.32 3.08 0.53 3.54 0.01 -0.85 -5.05 114.94 111.87 3i22 s ASN 59 Ca 0.54 -1.40 0.01 0.00 -0.71 0.00 0.00 52.86 51.30 3i22 s ASN 59 Cb -0.11 -0.20 0.07 0.00 0.41 0.00 0.00 41.25 41.43 3i22 s ASN 59 CO 0.44 -0.40 0.53 0.35 -1.51 0.00 0.00 177.10 176.52 3i22 n THR 60 N 4.98 0.00 -3.64 1.60 -2.24 -1.16 -4.27 114.28 109.55 3i22 n THR 60 Ca -0.01 -0.91 -0.03 0.00 -2.27 0.00 0.00 64.05 60.83 3i22 n THR 60 Cb 0.42 -1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 67.55 3i22 n THR 60 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3i22 s LEU 61 N 0.00 -0.08 0.53 3.22 0.05 -1.25 -4.99 118.68 116.15 3i22 s LEU 61 Ca 0.36 0.14 0.01 0.00 0.05 0.00 0.00 54.13 54.69 3i22 s LEU 61 Cb -0.02 1.17 0.03 0.00 -2.05 0.00 0.00 46.19 45.32 3i22 s LEU 61 CO 0.24 -0.04 0.74 -0.69 -0.55 0.00 0.00 176.35 176.05 3i22 s VAL 62 N -0.34 2.92 0.09 1.48 1.01 -1.26 -0.79 120.40 123.52 3i22 s VAL 62 Ca 0.07 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3i22 s VAL 62 Cb -0.04 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 3i22 s VAL 62 CO -0.12 -0.06 0.12 0.68 0.00 0.00 0.00 175.10 175.73 3i22 s VAL 63 N -2.70 0.15 -0.10 2.92 -7.23 -0.52 -4.88 120.40 108.04 3i22 s VAL 63 Ca 0.56 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 59.27 3i22 s VAL 63 Cb -0.10 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.28 3i22 s VAL 63 CO 0.38 -0.68 -0.14 -0.54 -0.31 0.00 0.00 175.10 173.80 3i22 s LYS 64 N -3.91 3.05 0.28 4.82 3.01 -1.26 -3.01 119.74 122.72 3i22 s LYS 64 Ca 0.09 -0.71 -0.29 0.00 -1.01 0.00 0.00 55.97 54.06 3i22 s LYS 64 Cb 0.06 -2.51 -0.09 0.00 -1.01 0.00 0.00 37.83 34.27 3i22 s LYS 64 CO -0.08 0.35 1.04 0.20 0.51 0.00 0.00 175.35 177.37 3i22 s GLY 65 N -0.03 3.04 1.15 -3.33 0.00 -1.20 -5.00 107.32 101.96 3i22 s GLY 65 Ca -0.04 0.78 -0.16 0.00 0.00 0.00 0.00 44.72 45.30 3i22 s GLY 65 CO 0.04 1.35 1.06 0.54 0.00 0.00 0.00 173.10 176.09 3i22 s LYS 66 N -1.50 -0.82 -0.00 2.90 1.02 -1.26 -4.70 119.74 115.38 3i22 s LYS 66 Ca 0.45 0.36 -0.02 0.00 0.02 0.00 0.00 55.97 56.78 3i22 s LYS 66 Cb -0.29 -1.60 -0.00 0.00 -0.52 0.00 0.00 37.83 35.42 3i22 s LYS 66 CO 0.36 -3.54 0.04 0.54 -0.92 0.00 0.00 175.35 171.83 3i22 s VAL 67 N -2.77 0.05 0.00 3.17 0.11 -1.26 -3.54 120.40 116.15 3i22 s VAL 67 Ca 0.68 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 3i22 s VAL 67 Cb -0.17 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 3i22 s VAL 67 CO 0.59 -0.23 0.00 0.29 -3.33 0.00 0.00 175.10 172.42 3i22 n LYS 68 N 2.30 0.00 -1.32 1.54 5.02 -1.18 -5.06 118.16 119.45 3i22 n LYS 68 Ca -0.18 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.25 3i22 n LYS 68 Cb 0.57 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.51 3i22 n LYS 68 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3i22 n ARG 69 N 0.00 -3.13 0.00 1.97 3.00 -1.26 -2.96 116.66 114.29 3i22 n ARG 69 Ca 0.00 2.55 0.00 0.00 -0.00 0.00 0.00 57.85 60.40 3i22 n ARG 69 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 32.46 28.90 3i22 n ARG 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i22 n HIS 70 N -3.94 -1.90 0.00 -0.14 8.25 -1.26 -4.41 115.22 111.82 3i22 n HIS 70 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3i22 n HIS 70 Cb 0.60 0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.99 3i22 n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i22 n GLY 71 N 0.00 0.69 0.27 -1.41 0.00 -1.26 -4.87 105.19 98.61 3i22 n GLY 71 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i22 n GLY 71 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3i22 h GLN 72 N 0.00 0.51 0.00 1.61 7.50 -2.03 -3.42 115.11 119.27 3i22 h GLN 72 Ca 0.00 -0.10 -0.28 0.00 0.50 0.00 0.00 58.65 58.77 3i22 h GLN 72 Cb 0.00 -0.08 0.09 0.00 0.05 0.00 0.00 27.48 27.54 3i22 h GLN 72 CO 0.00 0.53 0.18 0.54 -1.50 0.00 0.00 178.83 178.58 3i22 n ARG 73 N -4.29 -0.39 -3.82 1.46 5.12 -1.26 -5.13 116.66 108.35 3i22 n ARG 73 Ca 0.01 -1.49 -0.03 0.00 -1.93 0.00 0.00 57.85 54.42 3i22 n ARG 73 Cb 0.23 -0.67 0.01 0.00 -1.16 0.00 0.00 32.46 30.87 3i22 n ARG 73 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3i22 s ILE 74 N -2.40 0.00 0.13 0.55 1.10 -1.26 -4.55 121.20 114.76 3i22 s ILE 74 Ca 0.45 -0.60 -0.25 0.00 -0.51 0.00 0.00 60.65 59.74 3i22 s ILE 74 Cb -0.02 -2.53 0.08 0.00 0.15 0.00 0.00 42.46 40.14 3i22 s ILE 74 CO 0.31 0.00 1.07 -0.83 -2.11 0.00 0.00 174.94 173.38 3i22 s GLY 75 N -3.22 -0.12 0.07 1.50 0.00 -1.15 -4.94 107.32 99.45 3i22 s GLY 75 Ca 0.18 0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.84 3i22 s GLY 75 CO 0.04 1.30 0.21 -1.60 0.00 0.00 0.00 173.10 173.05 3i22 s ARG 76 N -2.63 0.81 0.35 2.90 3.52 -1.26 -3.13 118.95 119.51 3i22 s ARG 76 Ca 0.17 -0.81 -0.04 0.00 -0.13 0.00 0.00 55.73 54.92 3i22 s ARG 76 Cb -0.01 0.34 0.08 0.00 -1.56 0.00 0.00 34.95 33.80 3i22 s ARG 76 CO 0.02 -0.26 0.47 0.54 -0.81 0.00 0.00 175.30 175.27 3i22 n ARG 77 N 0.19 -0.24 -3.11 5.12 1.74 -1.23 -5.08 116.66 114.05 3i22 n ARG 77 Ca -0.16 -0.88 -0.18 0.00 -0.77 0.00 0.00 57.85 55.86 3i22 n ARG 77 Cb 0.61 -0.44 0.01 0.00 -1.02 0.00 0.00 32.46 31.62 3i22 n ARG 77 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i22 s SER 78 N -2.79 5.50 -0.19 0.55 0.15 -1.26 -4.75 113.70 110.92 3i22 s SER 78 Ca 0.28 -0.52 -0.15 0.00 0.70 0.00 0.00 55.95 56.26 3i22 s SER 78 Cb -0.01 -0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 63.71 3i22 s SER 78 CO 0.19 -0.80 0.36 -1.81 1.20 0.00 0.00 173.24 172.38 3i22 s ASP 79 N -4.34 6.43 0.36 5.45 1.01 -1.26 -3.25 116.67 121.07 3i22 s ASP 79 Ca 0.54 0.50 0.08 0.00 0.71 0.00 0.00 52.55 54.39 3i22 s ASP 79 Cb -0.08 -2.21 -0.06 0.00 1.01 0.00 0.00 42.92 41.58 3i22 s ASP 79 CO 0.33 -0.02 0.04 -1.66 0.21 0.00 0.00 175.17 174.07 3i22 s TRP 80 N 1.03 2.55 0.04 4.23 1.48 -1.16 -4.97 118.94 122.14 3i22 s TRP 80 Ca 0.18 -0.50 0.06 0.00 -1.06 0.00 0.00 56.10 54.78 3i22 s TRP 80 Cb -0.14 -1.62 -0.03 0.00 -1.16 0.00 0.00 33.47 30.52 3i22 s TRP 80 CO 0.07 0.42 -0.15 0.21 -4.06 0.00 0.00 176.95 173.44 3i22 s LYS 81 N -3.75 2.19 0.54 3.25 2.20 -1.26 -1.43 119.74 121.47 3i22 s LYS 81 Ca 0.36 -0.93 0.08 0.00 -0.36 0.00 0.00 55.97 55.12 3i22 s LYS 81 Cb 0.02 -2.27 0.08 0.00 -1.51 0.00 0.00 37.83 34.15 3i22 s LYS 81 CO 0.20 0.55 0.64 1.63 -0.36 0.00 0.00 175.35 178.00 3i22 n LYS 82 N 1.46 0.66 0.02 4.03 5.02 0.03 -3.54 118.16 125.83 3i22 n LYS 82 Ca -0.16 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.06 3i22 n LYS 82 Cb 0.52 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 3i22 n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i22 n ALA 83 N -2.21 3.00 -2.74 7.82 0.00 -1.16 -3.88 120.51 121.35 3i22 n ALA 83 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 3i22 n ALA 83 Cb 0.58 0.05 0.01 0.00 0.00 0.00 0.00 19.45 20.08 3i22 n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i22 n TYR 84 N -2.74 -3.43 -0.06 0.00 4.02 -1.25 -2.99 117.16 110.71 3i22 n TYR 84 Ca 0.00 1.42 -0.10 0.00 -0.01 0.00 0.00 57.90 59.21 3i22 n TYR 84 Cb 0.00 -3.94 -0.03 0.00 -0.02 0.00 0.00 39.34 35.35 3i22 n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3i22 h VAL 85 N 2.15 1.10 -3.77 -0.72 2.07 -1.79 -2.27 116.25 113.01 3i22 h VAL 85 Ca 0.00 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3i22 h VAL 85 Cb 0.70 0.86 0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3i22 h VAL 85 CO 0.16 0.10 -0.12 0.35 0.02 0.00 0.00 177.57 178.08 3i22 n THR 86 N -4.89 -3.82 -1.50 2.57 -2.24 -1.26 -3.96 114.28 99.18 3i22 n THR 86 Ca -0.03 -0.23 -0.40 0.00 -2.27 0.00 0.00 64.05 61.12 3i22 n THR 86 Cb 0.06 -4.41 0.02 0.00 -2.10 0.00 0.00 70.33 63.91 3i22 n THR 86 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3i22 n LEU 87 N -1.59 1.06 0.00 3.22 0.00 -1.26 -4.41 117.00 114.01 3i22 n LEU 87 Ca -0.01 0.85 0.00 0.00 0.00 0.00 0.00 56.01 56.85 3i22 n LEU 87 Cb 0.52 -1.20 0.00 0.00 0.00 0.00 0.00 43.42 42.73 3i22 n LEU 87 CO 0.18 -2.63 0.00 0.29 0.00 0.00 0.00 177.39 175.23 3i22 n LYS 88 N 0.12 0.00 0.03 1.96 5.02 -1.26 -4.70 118.16 119.33 3i22 n LYS 88 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3i22 n LYS 88 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 3i22 n LYS 88 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i22 n GLU 89 N 0.00 0.00 -2.15 1.97 1.02 -1.26 -4.98 120.64 115.24 3i22 n GLU 89 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 3i22 n GLU 89 Cb 0.00 -0.16 -0.05 0.00 -0.02 0.00 0.00 31.44 31.21 3i22 n GLU 89 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i22 s GLY 90 N -4.91 0.41 -0.11 0.62 0.00 -1.26 -4.92 107.32 97.15 3i22 s GLY 90 Ca 0.00 -2.21 -0.36 0.00 0.00 0.00 0.00 44.72 42.15 3i22 s GLY 90 CO 0.00 3.41 1.75 -1.06 0.00 0.00 0.00 173.10 177.19 3i22 n GLN 91 N 8.37 1.72 0.00 2.90 1.13 -1.26 -4.88 117.38 125.36 3i22 n GLN 91 Ca 0.45 0.63 0.00 0.00 -1.94 0.00 0.00 57.00 56.14 3i22 n GLN 91 Cb 0.47 -2.39 0.00 0.00 0.11 0.00 0.00 30.24 28.43 3i22 n GLN 91 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3i22 n ASN 92 N 5.42 0.00 0.00 1.08 3.02 -1.26 -5.22 115.26 118.30 3i22 n ASN 92 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 3i22 n ASN 92 Cb 0.23 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3i22 n ASN 92 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82