#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 n ARG 2 N 0.00 0.63 0.00 0.00 3.00 -1.21 -3.83 116.66 115.25 3i21 n ARG 2 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 57.85 57.87 3i21 n ARG 2 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 32.46 30.75 3i21 n ARG 2 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3i21 n ILE 3 N -2.58 0.00 -0.33 0.55 5.41 -1.26 -2.13 119.36 119.01 3i21 n ILE 3 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3i21 n ILE 3 Cb 0.63 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 3i21 n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i21 n ALA 4 N 0.15 0.06 -1.67 -1.39 0.00 -1.26 -4.98 120.51 111.41 3i21 n ALA 4 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3i21 n ALA 4 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 3i21 n ALA 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i21 n GLY 5 N 0.00 5.52 2.19 0.00 0.00 -0.91 -4.96 105.19 107.03 3i21 n GLY 5 Ca 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.22 3i21 n GLY 5 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i21 n ILE 6 N -0.98 -0.09 -4.95 -0.61 -6.64 -1.21 -4.90 119.36 99.99 3i21 n ILE 6 Ca 0.35 0.00 -0.27 0.00 -1.77 0.00 0.00 62.75 61.06 3i21 n ILE 6 Cb 0.89 -0.31 -0.16 0.00 -1.44 0.00 0.00 39.64 38.62 3i21 n ILE 6 CO 0.00 0.00 0.00 0.20 -1.77 0.00 0.00 176.55 174.98 3i21 s ASN 7 N -1.82 2.32 -0.18 7.28 -0.87 -1.20 -5.02 114.94 115.45 3i21 s ASN 7 Ca 0.00 -0.36 0.21 0.00 -1.57 0.00 0.00 52.86 51.14 3i21 s ASN 7 Cb 0.00 -0.39 0.44 0.00 -0.02 0.00 0.00 41.25 41.29 3i21 s ASN 7 CO 0.00 0.22 1.17 -0.38 -2.57 0.00 0.00 177.10 175.54 3i21 n ILE 8 N 2.77 0.67 -0.83 0.60 5.41 -1.25 -3.35 119.36 123.38 3i21 n ILE 8 Ca -0.16 -1.96 -0.01 0.00 1.00 0.00 0.00 62.75 61.63 3i21 n ILE 8 Cb 0.53 1.13 0.01 0.00 -0.71 0.00 0.00 39.64 40.60 3i21 n ILE 8 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3i21 n PRO 9 N -0.35 -0.42 -4.08 0.38 -0.04 -1.26 -4.88 135.00 124.35 3i21 n PRO 9 Ca 0.02 -0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.33 3i21 n PRO 9 Cb 0.91 -0.04 -0.09 0.00 -0.04 0.00 0.00 33.50 34.23 3i21 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i21 s ASP 10 N -1.30 0.28 -0.24 3.54 1.01 -1.26 -4.99 116.67 113.70 3i21 s ASP 10 Ca 0.02 -1.05 -0.03 0.00 0.71 0.00 0.00 52.55 52.20 3i21 s ASP 10 Cb -0.00 0.30 0.00 0.00 1.01 0.00 0.00 42.92 44.24 3i21 s ASP 10 CO 0.01 -0.73 0.10 1.57 0.21 0.00 0.00 175.17 176.34 3i21 n HIS 11 N -0.07 -2.81 -3.68 4.23 -0.00 -1.26 -5.06 115.22 106.57 3i21 n HIS 11 Ca -0.09 1.22 -0.12 0.00 -0.00 0.00 0.00 57.72 58.73 3i21 n HIS 11 Cb 0.63 -3.34 -0.09 0.00 -0.00 0.00 0.00 29.99 27.19 3i21 n HIS 11 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3i21 s LYS 12 N -1.42 0.63 1.04 1.57 -0.14 -1.26 -4.90 119.74 115.27 3i21 s LYS 12 Ca 0.04 0.83 -0.14 0.00 -1.36 0.00 0.00 55.97 55.34 3i21 s LYS 12 Cb -0.01 0.26 0.21 0.00 -1.68 0.00 0.00 37.83 36.61 3i21 s LYS 12 CO 0.56 -0.10 1.11 -1.58 -0.76 0.00 0.00 175.35 174.59 3i21 s HIS 13 N 0.58 1.74 0.00 3.18 2.46 -1.26 -1.71 115.29 120.28 3i21 s HIS 13 Ca -0.02 0.80 0.00 0.00 0.47 0.00 0.00 55.06 56.31 3i21 s HIS 13 Cb -0.05 -3.37 0.00 0.00 -0.13 0.00 0.00 32.58 29.03 3i21 s HIS 13 CO -0.03 -3.07 0.23 0.00 -2.47 0.00 0.00 174.74 169.40 3i21 n ALA 14 N -4.25 0.00 0.03 1.58 0.00 -1.26 -0.17 120.51 116.44 3i21 n ALA 14 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 3i21 n ALA 14 Cb 0.58 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 20.05 3i21 n ALA 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i21 h VAL 15 N 0.00 1.08 -0.39 0.00 2.07 -1.87 -2.94 116.25 114.19 3i21 h VAL 15 Ca 0.00 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.36 3i21 h VAL 15 Cb 0.00 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3i21 h VAL 15 CO 0.00 0.07 0.72 0.40 0.02 0.00 0.00 177.57 178.78 3i21 h ILE 16 N -0.13 0.11 0.36 4.57 5.03 -1.91 -1.95 117.51 123.60 3i21 h ILE 16 Ca -0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.72 3i21 h ILE 16 Cb 0.13 0.37 0.00 0.00 -3.03 0.00 0.00 36.82 34.29 3i21 h ILE 16 CO 0.00 0.00 -0.17 0.00 -0.68 0.00 0.00 178.15 177.30 3i21 h ALA 17 N 0.93 -0.89 0.00 1.87 0.00 -0.37 -3.31 119.26 117.49 3i21 h ALA 17 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i21 h ALA 17 Cb 1.62 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3i21 h ALA 17 CO -0.00 -0.86 0.00 1.28 0.00 0.00 0.00 179.25 179.67 3i21 n LEU 18 N -3.62 0.49 -0.12 0.00 4.32 -0.77 -4.22 117.00 113.08 3i21 n LEU 18 Ca -0.06 0.57 -0.07 0.00 -0.02 0.00 0.00 56.01 56.42 3i21 n LEU 18 Cb 0.19 -0.44 -0.06 0.00 -1.62 0.00 0.00 43.42 41.50 3i21 n LEU 18 CO 0.15 -0.22 0.50 0.71 -1.22 0.00 0.00 177.39 177.30 3i21 h THR 19 N 0.00 0.00 0.00 -5.08 1.35 -1.55 -0.70 112.91 106.92 3i21 h THR 19 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3i21 h THR 19 Cb 0.54 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 3i21 h THR 19 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 3i21 n SER 20 N -4.21 3.68 -4.81 5.36 7.64 -1.26 -4.39 113.62 115.63 3i21 n SER 20 Ca -0.01 -2.01 -0.36 0.00 1.01 0.00 0.00 58.87 57.49 3i21 n SER 20 Cb 0.18 -0.72 -0.07 0.00 -1.01 0.00 0.00 64.21 62.60 3i21 n SER 20 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i21 s ILE 21 N 0.16 5.41 -1.53 0.44 1.01 -0.27 -4.97 121.20 121.45 3i21 s ILE 21 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.96 3i21 s ILE 21 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.99 3i21 s ILE 21 CO 0.00 0.53 0.47 -1.22 0.00 0.00 0.00 174.94 174.72 3i21 n TYR 22 N 2.66 0.00 -0.12 3.97 4.01 -1.26 -1.49 117.16 124.92 3i21 n TYR 22 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3i21 n TYR 22 Cb 0.53 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 3i21 n TYR 22 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i21 n GLY 23 N 0.15 0.49 3.22 2.72 0.00 -1.26 -4.01 105.19 106.50 3i21 n GLY 23 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3i21 n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i21 s VAL 24 N -0.42 0.12 0.00 1.61 -7.23 -0.56 -4.78 120.40 109.14 3i21 s VAL 24 Ca 0.00 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 3i21 s VAL 24 Cb 0.00 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.19 3i21 s VAL 24 CO 0.00 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.87 3i21 n GLY 25 N -0.10 1.24 0.00 2.32 0.00 -1.26 -4.28 105.19 103.10 3i21 n GLY 25 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3i21 n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i21 n LYS 26 N 0.00 2.96 0.00 1.61 5.02 -1.26 -4.08 118.16 122.41 3i21 n LYS 26 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3i21 n LYS 26 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 3i21 n LYS 26 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3i21 n THR 27 N -0.44 0.00 0.30 -0.18 -1.04 -1.26 -4.08 114.28 107.58 3i21 n THR 27 Ca 0.00 0.31 0.18 0.00 -2.04 0.00 0.00 64.05 62.49 3i21 n THR 27 Cb 0.02 -1.12 0.79 0.00 -1.82 0.00 0.00 70.33 68.21 3i21 n THR 27 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3i21 h ARG 28 N 0.00 0.00 -0.06 -2.82 1.12 -1.96 0.14 114.38 110.81 3i21 h ARG 28 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.89 3i21 h ARG 28 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 29.96 3i21 h ARG 28 CO 0.00 0.00 0.06 1.03 -3.11 0.00 0.00 179.97 177.95 3i21 h SER 29 N 0.00 0.00 0.29 -3.80 0.87 -1.81 0.70 113.55 109.79 3i21 h SER 29 Ca 0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 3i21 h SER 29 Cb 0.32 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 3i21 h SER 29 CO 0.00 0.00 -1.97 1.17 -0.53 0.00 0.00 176.83 175.50 3i21 n LYS 30 N -3.97 0.66 0.16 2.24 4.81 0.41 -4.12 118.16 118.36 3i21 n LYS 30 Ca -0.01 0.20 0.13 0.00 -0.87 0.00 0.00 58.31 57.75 3i21 n LYS 30 Cb 0.16 -1.69 0.50 0.00 0.02 0.00 0.00 35.03 34.02 3i21 n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i21 h ALA 31 N 0.87 1.00 0.00 3.14 0.00 -0.16 -2.12 119.26 121.99 3i21 h ALA 31 Ca -0.39 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 3i21 h ALA 31 Cb 2.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 3i21 h ALA 31 CO 0.06 0.00 -0.77 0.97 0.00 0.00 0.00 179.25 179.51 3i21 h ILE 32 N 0.00 1.49 0.00 0.00 -0.00 0.19 -2.50 117.51 116.69 3i21 h ILE 32 Ca 0.00 -2.68 -0.04 0.00 -0.00 0.00 0.00 64.86 62.13 3i21 h ILE 32 Cb 0.48 2.47 -0.01 0.00 -0.00 0.00 0.00 36.82 39.77 3i21 h ILE 32 CO 0.00 0.75 -0.20 -0.07 -0.00 0.00 0.00 178.15 178.63 3i21 h LEU 33 N 0.00 0.00 0.00 2.19 3.38 -1.57 -3.01 115.31 116.30 3i21 h LEU 33 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i21 h LEU 33 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3i21 h LEU 33 CO 0.10 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.83 3i21 n ALA 34 N -2.17 2.42 -0.03 1.53 0.00 -0.94 -0.68 120.51 120.63 3i21 n ALA 34 Ca 0.02 -0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 3i21 n ALA 34 Cb 0.50 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 3i21 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 n ALA 35 N -0.85 1.16 -1.04 0.00 0.00 -1.14 -4.26 120.51 114.39 3i21 n ALA 35 Ca 0.14 -0.76 0.08 0.00 0.00 0.00 0.00 53.44 52.90 3i21 n ALA 35 Cb 0.06 -0.61 0.23 0.00 0.00 0.00 0.00 19.45 19.13 3i21 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 n ALA 36 N -2.90 2.89 -1.38 0.00 0.00 -1.09 -4.95 120.51 113.06 3i21 n ALA 36 Ca -0.30 -2.44 -0.12 0.00 0.00 0.00 0.00 53.44 50.57 3i21 n ALA 36 Cb 1.05 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 3i21 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i21 n GLY 37 N -0.78 1.14 3.68 0.00 0.00 0.03 -4.78 105.19 104.48 3i21 n GLY 37 Ca 0.21 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.58 3i21 n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i21 n ILE 38 N -1.86 0.03 -1.57 -0.61 2.08 0.14 -4.72 119.36 112.85 3i21 n ILE 38 Ca -0.12 -0.00 -0.52 0.00 0.56 0.00 0.00 62.75 62.66 3i21 n ILE 38 Cb 0.41 -0.45 -0.06 0.00 -0.75 0.00 0.00 39.64 38.79 3i21 n ILE 38 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i21 n ALA 39 N 3.49 -1.25 -0.28 -1.39 0.00 -1.26 -4.82 120.51 114.99 3i21 n ALA 39 Ca 0.28 0.51 0.11 0.00 0.00 0.00 0.00 53.44 54.33 3i21 n ALA 39 Cb -0.00 -2.02 0.25 0.00 0.00 0.00 0.00 19.45 17.68 3i21 n ALA 39 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3i21 h GLU 40 N 3.95 0.21 0.00 0.00 4.11 -1.99 -3.42 114.58 117.44 3i21 h GLU 40 Ca -0.46 -0.01 -0.30 0.00 0.07 0.00 0.00 59.36 58.66 3i21 h GLU 40 Cb 1.35 -0.05 0.08 0.00 0.50 0.00 0.00 28.75 30.63 3i21 h GLU 40 CO 0.74 0.14 0.14 -0.25 0.07 0.00 0.00 179.01 179.85 3i21 n ASP 41 N -5.22 0.63 -1.25 3.06 8.00 -1.26 -4.48 116.55 116.03 3i21 n ASP 41 Ca 0.19 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 54.08 3i21 n ASP 41 Cb 0.61 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3i21 n ASP 41 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3i21 n VAL 42 N -2.63 -6.89 -0.07 2.53 0.31 -1.26 -4.77 118.33 105.54 3i21 n VAL 42 Ca 0.11 1.43 0.00 0.00 -0.01 0.00 0.00 64.34 65.87 3i21 n VAL 42 Cb 0.39 -3.67 0.00 0.00 -0.91 0.00 0.00 33.84 29.64 3i21 n VAL 42 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3i21 n LYS 43 N 0.80 3.49 -2.54 5.55 5.02 -1.26 -4.00 118.16 125.21 3i21 n LYS 43 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 3i21 n LYS 43 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3i21 n LYS 43 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i21 s ILE 44 N 0.57 3.87 0.00 -0.18 1.01 -0.69 -4.51 121.20 121.26 3i21 s ILE 44 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3i21 s ILE 44 Cb 0.00 -5.00 0.00 0.00 0.01 0.00 0.00 42.46 37.47 3i21 s ILE 44 CO 0.00 -1.90 0.00 -1.54 0.00 0.00 0.00 174.94 171.50 3i21 n SER 45 N 9.12 0.00 -4.40 3.58 3.41 -1.26 -4.52 113.62 119.55 3i21 n SER 45 Ca 0.27 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.76 3i21 n SER 45 Cb 0.51 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.36 3i21 n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i21 n GLU 46 N -0.04 0.07 -3.65 4.33 -0.58 -1.26 -4.70 120.64 114.81 3i21 n GLU 46 Ca 0.00 -1.28 -0.03 0.00 -0.42 0.00 0.00 57.16 55.43 3i21 n GLU 46 Cb 0.00 -3.21 -0.07 0.00 -0.57 0.00 0.00 31.44 27.60 3i21 n GLU 46 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3i21 s LEU 47 N 12.76 -0.32 -0.07 -4.62 0.20 -1.26 -5.10 118.68 120.27 3i21 s LEU 47 Ca 0.62 0.54 -0.13 0.00 0.69 0.00 0.00 54.13 55.85 3i21 s LEU 47 Cb -0.03 1.51 -0.05 0.00 -0.43 0.00 0.00 46.19 47.19 3i21 s LEU 47 CO 0.15 -0.09 0.33 -0.55 -0.29 0.00 0.00 176.35 175.91 3i21 s SER 48 N 0.84 6.63 -0.27 3.68 0.15 -1.26 -5.01 113.70 118.47 3i21 s SER 48 Ca -0.04 0.75 -0.28 0.00 0.70 0.00 0.00 55.95 57.08 3i21 s SER 48 Cb -0.04 -2.20 -0.06 0.00 -1.71 0.00 0.00 66.02 62.01 3i21 s SER 48 CO -0.12 0.27 2.26 -0.62 1.20 0.00 0.00 173.24 176.23 3i21 n GLU 49 N 2.37 1.76 0.00 5.44 -0.58 -1.26 -2.36 120.64 126.01 3i21 n GLU 49 Ca -0.14 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 3i21 n GLU 49 Cb 0.53 -3.22 0.00 0.00 -0.57 0.00 0.00 31.44 28.18 3i21 n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i21 n GLY 50 N 5.87 0.03 0.10 0.62 0.00 -1.26 -4.94 105.19 105.61 3i21 n GLY 50 Ca 0.32 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 3i21 n GLY 50 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i21 n GLN 51 N 0.00 0.81 -0.10 1.61 7.27 -0.99 -4.31 117.38 121.67 3i21 n GLN 51 Ca 0.00 0.05 -0.12 0.00 0.07 0.00 0.00 57.00 56.99 3i21 n GLN 51 Cb 0.00 -1.48 -0.11 0.00 2.41 0.00 0.00 30.24 31.06 3i21 n GLN 51 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 3i21 n ILE 52 N -2.89 1.17 0.63 1.69 0.13 -1.26 -4.06 119.36 114.77 3i21 n ILE 52 Ca -0.35 -0.53 0.00 0.00 -1.10 0.00 0.00 62.75 60.77 3i21 n ILE 52 Cb 1.05 -1.03 0.00 0.00 -0.84 0.00 0.00 39.64 38.82 3i21 n ILE 52 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 3i21 n ASP 53 N -2.95 0.59 0.00 9.51 3.85 -1.26 -0.05 116.55 126.24 3i21 n ASP 53 Ca -0.34 -1.22 0.00 0.00 -0.71 0.00 0.00 54.79 52.52 3i21 n ASP 53 Cb 0.93 -0.30 0.00 0.00 -1.35 0.00 0.00 41.12 40.41 3i21 n ASP 53 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3i21 n THR 54 N 0.17 0.00 1.41 2.12 -2.24 -1.26 -4.62 114.28 109.86 3i21 n THR 54 Ca 0.00 -0.12 0.10 0.00 -2.27 0.00 0.00 64.05 61.75 3i21 n THR 54 Cb 0.15 0.59 0.40 0.00 -2.10 0.00 0.00 70.33 69.36 3i21 n THR 54 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i21 n LEU 55 N -1.10 1.24 0.26 3.22 4.77 0.93 -4.00 117.00 122.32 3i21 n LEU 55 Ca 0.00 -0.53 0.14 0.00 -0.03 0.00 0.00 56.01 55.59 3i21 n LEU 55 Cb 0.00 -0.08 0.70 0.00 -2.33 0.00 0.00 43.42 41.70 3i21 n LEU 55 CO 0.00 0.26 0.95 0.03 -1.33 0.00 0.00 177.39 177.31 3i21 h ARG 56 N 1.62 0.00 0.10 3.23 2.47 -1.78 -3.25 114.38 116.77 3i21 h ARG 56 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3i21 h ARG 56 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 3i21 h ARG 56 CO 0.00 0.11 -0.05 0.38 0.56 0.00 0.00 179.97 180.97 3i21 h ASP 57 N 0.00 -0.11 -1.26 7.04 -0.00 -1.91 -2.50 116.42 117.67 3i21 h ASP 57 Ca -0.00 0.00 0.38 0.00 -0.00 0.00 0.00 57.03 57.41 3i21 h ASP 57 Cb 0.45 0.03 -0.11 0.00 -0.00 0.00 0.00 39.33 39.70 3i21 h ASP 57 CO 0.01 0.34 0.83 -0.33 -0.00 0.00 0.00 179.24 180.09 3i21 h GLU 58 N -0.96 0.16 0.16 4.15 3.07 -1.84 0.90 114.58 120.22 3i21 h GLU 58 Ca -0.01 -0.01 -0.21 0.00 -0.50 0.00 0.00 59.36 58.62 3i21 h GLU 58 Cb 0.10 -0.04 0.02 0.00 -0.84 0.00 0.00 28.75 28.00 3i21 h GLU 58 CO 0.02 0.11 -0.95 -0.24 -1.40 0.00 0.00 179.01 176.55 3i21 h VAL 59 N 0.17 1.46 -0.02 3.13 3.04 -1.67 -3.32 116.25 119.04 3i21 h VAL 59 Ca 0.73 -2.56 0.01 0.00 -1.01 0.00 0.00 66.70 63.86 3i21 h VAL 59 Cb 2.28 3.16 -0.00 0.00 -2.01 0.00 0.00 31.29 34.72 3i21 h VAL 59 CO -0.31 0.73 0.04 0.00 -1.01 0.00 0.00 177.57 177.03 3i21 h ALA 60 N 0.09 1.27 -0.10 3.17 0.00 -0.36 -3.38 119.26 119.95 3i21 h ALA 60 Ca -0.17 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.16 3i21 h ALA 60 Cb 1.73 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.56 3i21 h ALA 60 CO 0.17 -0.05 1.98 1.63 0.00 0.00 0.00 179.25 182.97 3i21 n LYS 61 N -3.38 1.45 0.00 0.00 5.02 -0.93 -4.69 118.16 115.63 3i21 n LYS 61 Ca -0.02 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.32 3i21 n LYS 61 Cb 0.12 -3.08 0.00 0.00 -0.02 0.00 0.00 35.03 32.05 3i21 n LYS 61 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i21 n PHE 62 N 9.11 0.00 -1.57 2.13 7.35 -1.26 -5.09 117.46 128.13 3i21 n PHE 62 Ca 0.48 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.81 3i21 n PHE 62 Cb 0.42 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.22 3i21 n PHE 62 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3i21 s VAL 63 N -1.72 3.01 -0.10 -2.13 -7.23 -1.26 -4.93 120.40 106.05 3i21 s VAL 63 Ca 0.00 0.01 -0.10 0.00 -1.81 0.00 0.00 61.98 60.07 3i21 s VAL 63 Cb 0.00 -3.03 -0.05 0.00 0.56 0.00 0.00 36.38 33.86 3i21 s VAL 63 CO 0.00 -0.03 0.24 -0.69 -0.31 0.00 0.00 175.10 174.31 3i21 s VAL 64 N 11.78 5.33 0.00 1.32 1.01 -1.26 -4.22 120.40 134.37 3i21 s VAL 64 Ca 0.97 0.44 0.00 0.00 0.00 0.00 0.00 61.98 63.39 3i21 s VAL 64 Cb -0.18 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3i21 s VAL 64 CO 0.27 0.56 0.00 -0.62 0.00 0.00 0.00 175.10 175.31 3i21 n GLU 65 N 2.31 0.00 -0.32 2.72 1.02 -1.26 -1.43 120.64 123.68 3i21 n GLU 65 Ca -0.17 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.01 3i21 n GLU 65 Cb 0.54 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 32.05 3i21 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i21 n GLY 66 N 0.00 -1.53 0.08 0.62 0.00 -1.26 -0.80 105.19 102.29 3i21 n GLY 66 Ca 0.00 0.93 -0.05 0.00 0.00 0.00 0.00 46.02 46.90 3i21 n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i21 h ASP 67 N 0.00 0.00 0.25 1.61 3.45 -1.57 -3.25 116.42 116.91 3i21 h ASP 67 Ca 0.38 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.83 3i21 h ASP 67 Cb 0.60 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 3i21 h ASP 67 CO -0.88 0.88 -0.12 0.25 -1.57 0.00 0.00 179.24 177.80 3i21 h LEU 68 N 0.00 -0.29 0.00 1.55 6.46 -1.07 -2.79 115.31 119.17 3i21 h LEU 68 Ca -0.13 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 3i21 h LEU 68 Cb 1.78 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.79 3i21 h LEU 68 CO 0.09 0.17 0.00 0.54 -0.62 0.00 0.00 178.44 178.62 3i21 n ARG 69 N -5.04 0.87 0.04 1.25 3.00 -0.53 -2.18 116.66 114.06 3i21 n ARG 69 Ca -0.09 0.00 0.02 0.00 -0.01 0.00 0.00 57.85 57.78 3i21 n ARG 69 Cb 0.26 -1.03 -0.08 0.00 0.00 0.00 0.00 32.46 31.62 3i21 n ARG 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3i21 n ARG 70 N -0.53 0.62 -0.03 5.56 0.63 -1.06 -3.73 116.66 118.13 3i21 n ARG 70 Ca 0.01 0.16 -0.05 0.00 -0.92 0.00 0.00 57.85 57.05 3i21 n ARG 70 Cb 0.01 -1.77 -0.03 0.00 0.45 0.00 0.00 32.46 31.11 3i21 n ARG 70 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3i21 n GLU 71 N -2.79 0.15 -0.26 -0.14 1.02 -1.05 -3.84 120.64 113.72 3i21 n GLU 71 Ca -0.09 0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.13 3i21 n GLU 71 Cb 0.78 -1.04 0.26 0.00 -0.02 0.00 0.00 31.44 31.43 3i21 n GLU 71 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3i21 h ILE 72 N -0.05 1.09 -0.13 -3.67 2.10 -1.68 0.21 117.51 115.37 3i21 h ILE 72 Ca -0.14 -0.33 -0.16 0.00 1.08 0.00 0.00 64.86 65.30 3i21 h ILE 72 Cb 1.20 0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.95 3i21 h ILE 72 CO -0.04 0.18 -0.60 -1.28 -1.08 0.00 0.00 178.15 175.33 3i21 h SER 73 N 0.97 0.49 -0.88 2.19 0.87 -1.78 -3.10 113.55 112.31 3i21 h SER 73 Ca 0.35 -0.28 0.20 0.00 -1.23 0.00 0.00 61.79 60.83 3i21 h SER 73 Cb 0.14 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 61.89 3i21 h SER 73 CO -0.12 0.97 0.59 -0.03 -0.53 0.00 0.00 176.83 177.71 3i21 h MET 74 N 0.32 0.38 -0.21 2.24 1.85 -1.07 0.26 114.93 118.71 3i21 h MET 74 Ca -0.00 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.05 3i21 h MET 74 Cb 1.13 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 33.06 3i21 h MET 74 CO 0.10 0.25 0.07 0.66 -0.40 0.00 0.00 176.91 177.59 3i21 h SER 75 N 0.40 0.26 0.00 1.39 4.64 -1.39 0.33 113.55 119.17 3i21 h SER 75 Ca 0.46 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3i21 h SER 75 Cb 1.15 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3i21 h SER 75 CO -0.17 0.26 0.00 -0.38 -0.87 0.00 0.00 176.83 175.67 3i21 n ILE 76 N -4.43 1.07 0.00 0.95 5.41 0.91 0.88 119.36 124.15 3i21 n ILE 76 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.55 3i21 n ILE 76 Cb 0.13 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 3i21 n ILE 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3i21 n LYS 77 N 1.26 0.00 0.14 0.38 0.00 -0.74 -4.80 118.16 114.40 3i21 n LYS 77 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.18 3i21 n LYS 77 Cb 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.29 3i21 n LYS 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 3i21 h ARG 78 N 0.00 -0.35 0.00 1.64 2.43 -0.00 -2.58 114.38 115.52 3i21 h ARG 78 Ca 0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3i21 h ARG 78 Cb 0.00 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3i21 h ARG 78 CO 0.00 -0.02 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.37 3i21 h LEU 79 N -0.74 0.00 -3.63 3.80 3.38 0.27 -0.88 115.31 117.51 3i21 h LEU 79 Ca -0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 3i21 h LEU 79 Cb 0.50 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.11 3i21 h LEU 79 CO 0.06 0.00 0.29 0.23 0.09 0.00 0.00 178.44 179.11 3i21 n MET 80 N -3.18 3.52 0.00 1.13 2.81 -1.04 -3.90 117.12 116.47 3i21 n MET 80 Ca -0.03 -2.90 0.00 0.00 -1.81 0.00 0.00 57.70 52.96 3i21 n MET 80 Cb 0.10 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.44 3i21 n MET 80 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3i21 n ASP 81 N -0.17 0.00 0.00 7.83 10.43 -0.34 -4.90 116.55 129.41 3i21 n ASP 81 Ca 0.40 0.74 0.00 0.00 2.57 0.00 0.00 54.79 58.51 3i21 n ASP 81 Cb 1.36 -0.26 0.00 0.00 1.84 0.00 0.00 41.12 44.06 3i21 n ASP 81 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3i21 n LEU 82 N -1.27 0.00 -2.82 0.64 4.32 -1.26 -4.99 117.00 111.61 3i21 n LEU 82 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.67 3i21 n LEU 82 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3i21 n LEU 82 CO 0.00 0.00 0.67 0.61 -1.22 0.00 0.00 177.39 177.45 3i21 n GLY 83 N 5.00 5.83 3.75 -0.72 0.00 -1.26 -4.98 105.19 112.80 3i21 n GLY 83 Ca 0.00 -2.68 -0.36 0.00 0.00 0.00 0.00 46.02 42.98 3i21 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i21 h TYR 85 N 0.84 -0.04 -0.27 0.00 3.20 -1.97 -2.01 116.97 116.72 3i21 h TYR 85 Ca -0.51 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.41 3i21 h TYR 85 Cb 1.30 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.59 3i21 h TYR 85 CO 0.46 -0.04 0.07 -0.09 -1.64 0.00 0.00 178.16 176.91 3i21 h ARG 86 N 0.04 0.17 -1.82 1.82 9.65 -1.92 -1.50 114.38 120.83 3i21 h ARG 86 Ca 0.09 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3i21 h ARG 86 Cb 0.12 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 3i21 h ARG 86 CO -0.17 0.11 0.00 0.41 2.80 0.00 0.00 179.97 183.12 3i21 n GLY 87 N -1.20 1.80 0.00 2.80 0.00 -0.80 -0.30 105.19 107.50 3i21 n GLY 87 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i21 n GLY 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i21 n LEU 88 N 1.38 0.00 -0.05 0.99 4.77 -0.63 -4.37 117.00 119.09 3i21 n LEU 88 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3i21 n LEU 88 Cb 0.36 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3i21 n LEU 88 CO 0.00 0.00 -0.62 0.54 -1.33 0.00 0.00 177.39 175.98 3i21 n ARG 89 N -0.00 0.35 0.11 3.23 5.12 -0.50 -4.02 116.66 120.95 3i21 n ARG 89 Ca 0.00 0.14 0.02 0.00 -1.93 0.00 0.00 57.85 56.08 3i21 n ARG 89 Cb 0.00 -1.11 0.38 0.00 -1.16 0.00 0.00 32.46 30.56 3i21 n ARG 89 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3i21 h HIS 90 N -0.65 0.26 0.00 -1.55 2.76 -0.66 -0.87 115.15 114.44 3i21 h HIS 90 Ca -0.12 -0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 57.88 3i21 h HIS 90 Cb 0.84 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.71 3i21 h HIS 90 CO -0.22 0.39 -0.96 0.07 -1.30 0.00 0.00 177.93 175.90 3i21 h ARG 91 N 0.23 0.00 0.00 5.26 0.11 -1.85 -3.44 114.38 114.69 3i21 h ARG 91 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 3i21 h ARG 91 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 3i21 h ARG 91 CO 0.02 0.41 0.00 -2.13 0.10 0.00 0.00 179.97 178.38 3i21 n ARG 92 N -3.06 0.00 0.00 0.08 0.00 -0.36 -5.01 116.66 108.31 3i21 n ARG 92 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 3i21 n ARG 92 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.25 3i21 n ARG 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i21 n GLY 93 N 3.52 1.00 3.29 5.14 0.00 -1.04 -5.04 105.19 112.06 3i21 n GLY 93 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3i21 n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i21 s LEU 94 N 0.00 2.20 1.00 0.99 1.02 -1.13 -4.28 118.68 118.48 3i21 s LEU 94 Ca 0.00 -0.59 -0.14 0.00 0.02 0.00 0.00 54.13 53.43 3i21 s LEU 94 Cb 0.00 -1.04 0.19 0.00 0.02 0.00 0.00 46.19 45.36 3i21 s LEU 94 CO 0.00 0.16 1.12 -2.16 0.02 0.00 0.00 176.35 175.50 3i21 s PRO 95 N -1.40 0.39 -0.00 1.29 0.04 -1.26 -3.35 135.00 130.71 3i21 s PRO 95 Ca 0.09 0.29 0.02 0.00 0.04 0.00 0.00 61.00 61.44 3i21 s PRO 95 Cb -0.09 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 3i21 s PRO 95 CO 0.03 -2.71 0.04 0.28 0.04 0.00 0.00 177.00 174.68 3i21 n VAL 96 N -4.12 0.00 0.00 -0.36 0.31 -1.26 -4.63 118.33 108.28 3i21 n VAL 96 Ca 0.07 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3i21 n VAL 96 Cb 0.58 0.46 0.01 0.00 -0.91 0.00 0.00 33.84 33.98 3i21 n VAL 96 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i21 n ARG 97 N -1.56 0.00 0.00 5.55 0.63 -1.26 -4.78 116.66 115.24 3i21 n ARG 97 Ca -0.00 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 3i21 n ARG 97 Cb 0.05 -1.58 0.00 0.00 0.45 0.00 0.00 32.46 31.38 3i21 n ARG 97 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i21 n GLY 98 N -1.43 0.69 3.55 5.14 0.00 -1.26 -5.15 105.19 106.73 3i21 n GLY 98 Ca -0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 3i21 n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i21 s GLN 99 N -0.34 0.58 0.55 1.61 2.00 -1.26 -5.10 119.66 117.71 3i21 s GLN 99 Ca 0.00 1.23 -0.22 0.00 -2.00 0.00 0.00 55.36 54.37 3i21 s GLN 99 Cb 0.00 0.38 -0.05 0.00 0.80 0.00 0.00 33.01 34.14 3i21 s GLN 99 CO 0.00 -0.18 1.36 -0.98 -0.50 0.00 0.00 175.29 174.99 3i21 s ARG 100 N 2.13 3.13 0.02 1.67 1.70 -1.26 -4.90 118.95 121.44 3i21 s ARG 100 Ca -0.08 2.24 0.23 0.00 -0.47 0.00 0.00 55.73 57.66 3i21 s ARG 100 Cb -0.09 -2.26 0.15 0.00 -0.57 0.00 0.00 34.95 32.19 3i21 s ARG 100 CO -0.18 -1.20 1.14 0.25 -1.08 0.00 0.00 175.30 174.24 3i21 n THR 101 N -1.03 0.07 -0.02 4.99 -2.24 -1.26 -4.38 114.28 110.40 3i21 n THR 101 Ca 0.10 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3i21 n THR 101 Cb 0.45 0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.98 3i21 n THR 101 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3i21 h LYS 102 N 0.00 0.07 -5.34 -0.78 1.57 -2.07 -3.47 116.57 106.55 3i21 h LYS 102 Ca 0.00 -0.04 -0.41 0.00 -1.87 0.00 0.00 60.65 58.34 3i21 h LYS 102 Cb 0.59 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.70 3i21 h LYS 102 CO 0.00 0.58 -0.77 0.99 -0.57 0.00 0.00 179.45 179.68 3i21 s THR 103 N -4.07 1.16 -0.33 -0.16 2.01 -1.26 -4.94 115.64 108.04 3i21 s THR 103 Ca -0.16 -1.44 -0.01 0.00 0.31 0.00 0.00 61.69 60.39 3i21 s THR 103 Cb 0.02 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 3i21 s THR 103 CO 0.69 -0.30 0.28 0.59 -0.69 0.00 0.00 174.62 175.19 3i21 n ASN 104 N 1.02 -2.52 -0.79 3.53 3.02 -1.26 -4.79 115.26 113.47 3i21 n ASN 104 Ca -0.19 -0.19 0.08 0.00 -0.03 0.00 0.00 54.58 54.25 3i21 n ASN 104 Cb 0.55 -1.86 0.23 0.00 -0.61 0.00 0.00 39.78 38.09 3i21 n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i21 n ALA 105 N -1.94 2.44 -0.18 5.41 0.00 -1.26 -4.52 120.51 120.45 3i21 n ALA 105 Ca -0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 53.44 52.60 3i21 n ALA 105 Cb 0.54 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 19.04 3i21 n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 h ARG 106 N 2.64 -0.10 0.00 0.00 2.47 -1.92 1.29 114.38 118.76 3i21 h ARG 106 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3i21 h ARG 106 Cb 0.60 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 3i21 h ARG 106 CO 0.00 -0.07 0.00 1.15 0.56 0.00 0.00 179.97 181.61 3i21 h THR 107 N -0.10 0.00 0.00 2.04 2.02 -1.82 -2.20 112.91 112.84 3i21 h THR 107 Ca 0.25 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3i21 h THR 107 Cb 0.50 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 3i21 h THR 107 CO -0.62 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.13 3i21 n ARG 108 N -2.98 0.00 0.00 6.66 3.00 0.13 -4.58 116.66 118.88 3i21 n ARG 108 Ca 0.02 0.03 0.11 0.00 -0.00 0.00 0.00 57.85 58.01 3i21 n ARG 108 Cb 0.40 -0.40 0.52 0.00 0.00 0.00 0.00 32.46 32.97 3i21 n ARG 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3i21 n LYS 109 N -2.19 0.10 0.00 -0.14 5.02 0.40 -5.01 118.16 116.34 3i21 n LYS 109 Ca 0.00 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3i21 n LYS 109 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 3i21 n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i21 n GLY 110 N 0.82 -0.12 3.39 0.72 0.00 -0.76 -4.91 105.19 104.33 3i21 n GLY 110 Ca 0.07 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 3i21 n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i21 n PRO 111 N 3.75 0.26 -1.36 1.61 -0.04 -1.26 -3.85 135.00 134.10 3i21 n PRO 111 Ca 0.00 0.12 -0.39 0.00 -0.04 0.00 0.00 63.50 63.18 3i21 n PRO 111 Cb 0.00 -1.61 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 3i21 n PRO 111 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3i21 n ARG 112 N 0.00 3.72 0.00 0.54 1.85 -1.26 -4.94 116.66 116.57 3i21 n ARG 112 Ca 0.09 -2.28 0.03 0.00 -1.00 0.00 0.00 57.85 54.69 3i21 n ARG 112 Cb 0.50 -2.81 0.03 0.00 -1.05 0.00 0.00 32.46 29.12 3i21 n ARG 112 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98