#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3k n GLU 2 N 0.00 -2.78 -1.14 3.17 1.02 -1.26 -4.89 120.64 114.75 2k3k n GLU 2 Ca 0.00 1.87 -0.29 0.00 -0.02 0.00 0.00 57.16 58.72 2k3k n GLU 2 Cb 0.00 -3.39 0.17 0.00 -0.02 0.00 0.00 31.44 28.20 2k3k n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k3k s MET 3 N -2.30 0.56 -0.11 3.49 0.23 -1.26 -5.08 119.30 114.83 2k3k s MET 3 Ca 0.00 0.62 0.00 0.00 -1.03 0.00 0.00 55.69 55.28 2k3k s MET 3 Cb 0.00 -1.74 -0.02 0.00 -1.53 0.00 0.00 34.83 31.53 2k3k s MET 3 CO 0.00 -2.66 -0.11 -0.51 -2.03 0.00 0.00 175.02 169.71 2k3k s LEU 4 N -6.44 2.86 -0.18 0.18 1.43 -1.26 -5.08 118.68 110.18 2k3k s LEU 4 Ca 0.65 -0.24 -0.40 0.00 -1.03 0.00 0.00 54.13 53.12 2k3k s LEU 4 Cb -0.19 -1.64 -0.17 0.00 0.03 0.00 0.00 46.19 44.23 2k3k s LEU 4 CO 0.58 0.22 1.59 -2.65 0.23 0.00 0.00 176.35 176.32 2k3k n PRO 5 N 3.16 0.99 -3.62 1.29 -0.02 -1.26 -4.86 135.00 130.69 2k3k n PRO 5 Ca -0.18 0.36 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 2k3k n PRO 5 Cb 0.53 -2.01 -0.07 0.00 -0.02 0.00 0.00 33.50 31.93 2k3k n PRO 5 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2k3k s ASN 6 N 2.48 -0.70 0.17 2.55 3.84 -1.26 -5.04 114.94 116.99 2k3k s ASN 6 Ca 0.95 1.26 0.21 0.00 0.21 0.00 0.00 52.86 55.48 2k3k s ASN 6 Cb -1.09 1.24 0.86 0.00 -0.55 0.00 0.00 41.25 41.72 2k3k s ASN 6 CO 0.62 -0.31 1.64 1.67 -2.79 0.00 0.00 177.10 177.92 2k3k n GLN 7 N 2.37 0.13 -4.21 0.43 7.27 -1.26 -4.54 117.38 117.57 2k3k n GLN 7 Ca -0.15 0.36 -0.19 0.00 0.07 0.00 0.00 57.00 57.09 2k3k n GLN 7 Cb 0.56 -1.74 -0.12 0.00 2.41 0.00 0.00 30.24 31.34 2k3k n GLN 7 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2k3k s THR 8 N -3.20 1.14 0.22 1.69 2.01 -1.26 -1.24 115.64 114.99 2k3k s THR 8 Ca 0.05 -1.26 0.06 0.00 0.31 0.00 0.00 61.69 60.85 2k3k s THR 8 Cb 0.10 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 2k3k s THR 8 CO 0.36 -0.18 -0.10 0.27 -0.69 0.00 0.00 174.62 174.28 2k3k s ILE 9 N -1.19 1.54 -0.16 1.82 -4.36 -0.50 -1.82 121.20 116.53 2k3k s ILE 9 Ca -0.01 -2.15 -0.00 0.00 -0.26 0.00 0.00 60.65 58.23 2k3k s ILE 9 Cb -0.10 -2.14 0.04 0.00 1.25 0.00 0.00 42.46 41.51 2k3k s ILE 9 CO 0.02 -0.52 -0.07 -0.47 0.24 0.00 0.00 174.94 174.14 2k3k s TYR 10 N -3.09 1.84 -0.16 1.37 5.04 0.32 -2.26 117.35 120.41 2k3k s TYR 10 Ca 0.24 -1.14 -0.12 0.00 -2.44 0.00 0.00 57.07 53.61 2k3k s TYR 10 Cb 0.02 -1.38 -0.05 0.00 0.35 0.00 0.00 41.96 40.89 2k3k s TYR 10 CO 0.07 -0.63 0.23 0.42 -1.34 0.00 0.00 175.55 174.30 2k3k s ILE 11 N 1.59 5.35 0.00 3.14 1.01 0.01 -1.08 121.20 131.21 2k3k s ILE 11 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2k3k s ILE 11 Cb -0.15 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2k3k s ILE 11 CO -0.08 0.45 0.43 -3.20 0.00 0.00 0.00 174.94 172.54 2k3k n ASN 12 N 3.20 0.51 -2.75 3.58 2.85 0.14 -1.44 115.26 121.36 2k3k n ASN 12 Ca -0.15 -1.18 -0.04 0.00 -0.11 0.00 0.00 54.58 53.11 2k3k n ASN 12 Cb 0.52 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.59 2k3k n ASN 12 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2k3k n ASN 13 N -0.09 1.79 -4.75 1.20 5.15 -1.22 -4.82 115.26 112.52 2k3k n ASN 13 Ca 0.00 -2.29 -0.41 0.00 -0.60 0.00 0.00 54.58 51.28 2k3k n ASN 13 Cb 0.30 -0.48 -0.02 0.00 -0.53 0.00 0.00 39.78 39.05 2k3k n ASN 13 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2k3k s LEU 14 N -3.65 4.40 -0.40 1.20 0.20 -0.85 -4.46 118.68 115.12 2k3k s LEU 14 Ca 0.29 2.66 -0.28 0.00 0.69 0.00 0.00 54.13 57.49 2k3k s LEU 14 Cb 0.36 -3.63 -0.02 0.00 -0.43 0.00 0.00 46.19 42.46 2k3k s LEU 14 CO -0.02 -0.63 1.85 0.21 -0.29 0.00 0.00 176.35 177.47 2k3k s ASN 15 N 0.03 5.67 0.14 3.68 3.84 -1.26 -4.54 114.94 122.50 2k3k s ASN 15 Ca 0.55 1.08 0.12 0.00 0.21 0.00 0.00 52.86 54.82 2k3k s ASN 15 Cb -0.41 -2.53 0.61 0.00 -0.55 0.00 0.00 41.25 38.38 2k3k s ASN 15 CO 0.47 -1.93 1.38 -1.84 -2.79 0.00 0.00 177.10 172.39 2k3k n GLU 16 N 8.64 0.07 0.28 0.43 -0.00 -1.26 -2.04 120.64 126.76 2k3k n GLU 16 Ca 0.23 0.50 0.13 0.00 -0.00 0.00 0.00 57.16 58.02 2k3k n GLU 16 Cb 0.48 -1.70 0.82 0.00 -0.00 0.00 0.00 31.44 31.04 2k3k n GLU 16 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2k3k h LYS 17 N 0.00 0.00 -6.20 3.44 2.10 -1.89 -3.42 116.57 110.59 2k3k h LYS 17 Ca 0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 2k3k h LYS 17 Cb 0.09 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.39 2k3k h LYS 17 CO 0.00 0.04 0.99 0.42 -2.00 0.00 0.00 179.45 178.90 2k3k s ILE 18 N -4.58 3.95 0.91 0.07 -1.09 -0.87 -5.01 121.20 114.58 2k3k s ILE 18 Ca -0.04 1.15 -0.11 0.00 -2.23 0.00 0.00 60.65 59.41 2k3k s ILE 18 Cb 0.15 -3.75 0.14 0.00 -1.58 0.00 0.00 42.46 37.42 2k3k s ILE 18 CO 0.58 -0.11 1.09 -0.75 -1.23 0.00 0.00 174.94 174.52 2k3k s LYS 19 N 3.77 1.13 0.19 2.79 2.20 -1.26 -4.73 119.74 123.82 2k3k s LYS 19 Ca 0.63 0.98 -0.12 0.00 -0.36 0.00 0.00 55.97 57.11 2k3k s LYS 19 Cb -0.27 -1.78 0.18 0.00 -1.51 0.00 0.00 37.83 34.45 2k3k s LYS 19 CO 0.22 -2.38 1.75 -0.22 -0.36 0.00 0.00 175.35 174.36 2k3k h LYS 20 N -1.66 0.37 -0.59 4.03 3.64 -1.95 0.14 116.57 120.55 2k3k h LYS 20 Ca -0.49 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.79 2k3k h LYS 20 Cb 1.28 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 2k3k h LYS 20 CO 0.52 0.25 0.05 1.49 -2.27 0.00 0.00 179.45 179.48 2k3k h GLU 21 N 0.38 0.99 -0.28 1.90 4.81 -1.98 -1.05 114.58 119.36 2k3k h GLU 21 Ca 0.24 -0.28 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 2k3k h GLU 21 Cb 0.25 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2k3k h GLU 21 CO -0.24 0.95 -0.39 0.93 -0.73 0.00 0.00 179.01 179.53 2k3k h GLU 22 N 0.92 0.66 0.11 1.92 5.08 -1.73 -0.21 114.58 121.34 2k3k h GLU 22 Ca 0.18 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2k3k h GLU 22 Cb 0.47 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2k3k h GLU 22 CO 0.02 0.94 -0.05 1.25 -1.00 0.00 0.00 179.01 180.16 2k3k h LEU 23 N 0.54 -0.13 -0.21 1.33 7.12 -0.52 0.92 115.31 124.37 2k3k h LEU 23 Ca 0.05 -0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.07 2k3k h LEU 23 Cb 0.92 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 41.05 2k3k h LEU 23 CO 0.08 -0.07 0.04 0.11 -0.13 0.00 0.00 178.44 178.46 2k3k h LYS 24 N -0.17 0.11 -0.39 1.25 1.57 -0.96 -0.87 116.57 117.11 2k3k h LYS 24 Ca -0.02 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2k3k h LYS 24 Cb 0.14 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2k3k h LYS 24 CO 0.03 0.07 0.19 -0.22 -0.57 0.00 0.00 179.45 178.95 2k3k h LYS 25 N 0.12 0.37 -0.43 3.15 3.64 -0.90 -1.47 116.57 121.05 2k3k h LYS 25 Ca 0.09 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2k3k h LYS 25 Cb 0.09 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2k3k h LYS 25 CO -0.13 0.24 0.07 0.77 -2.27 0.00 0.00 179.45 178.13 2k3k h SER 26 N 0.38 0.68 -0.33 4.20 0.02 -0.32 0.94 113.55 119.12 2k3k h SER 26 Ca 0.17 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2k3k h SER 26 Cb 0.09 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2k3k h SER 26 CO -0.13 0.77 0.19 -0.07 -1.14 0.00 0.00 176.83 176.46 2k3k h LEU 27 N 0.57 0.40 -1.91 5.07 3.38 -1.03 -0.95 115.31 120.84 2k3k h LEU 27 Ca 0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2k3k h LEU 27 Cb 0.38 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2k3k h LEU 27 CO 0.01 0.35 -0.12 0.22 0.09 0.00 0.00 178.44 178.98 2k3k h TYR 28 N 0.42 0.00 0.19 1.13 3.20 -0.96 -1.46 116.97 119.49 2k3k h TYR 28 Ca 0.12 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.65 2k3k h TYR 28 Cb 0.03 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.31 2k3k h TYR 28 CO -0.04 0.12 -1.62 0.00 -1.64 0.00 0.00 178.16 174.99 2k3k h ALA 29 N 1.88 0.10 0.00 1.82 0.00 0.01 -3.41 119.26 119.66 2k3k h ALA 29 Ca -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2k3k h ALA 29 Cb 0.29 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k3k h ALA 29 CO 0.02 0.97 -0.52 0.44 0.00 0.00 0.00 179.25 180.15 2k3k n ILE 30 N -3.59 0.00 -0.16 0.00 -5.35 -0.44 -4.69 119.36 105.13 2k3k n ILE 30 Ca -0.20 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.29 2k3k n ILE 30 Cb 1.07 -0.53 0.29 0.00 -1.74 0.00 0.00 39.64 38.73 2k3k n ILE 30 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 2k3k h PHE 31 N 0.00 0.84 -1.05 4.28 -1.00 -1.53 -1.80 116.94 116.69 2k3k h PHE 31 Ca 0.00 0.02 0.28 0.00 2.81 0.00 0.00 57.97 61.07 2k3k h PHE 31 Cb 0.52 -0.29 -0.10 0.00 3.61 0.00 0.00 35.95 39.70 2k3k h PHE 31 CO 0.00 0.54 0.67 0.66 -1.61 0.00 0.00 178.31 178.57 2k3k h SER 32 N 0.91 0.45 0.73 2.17 4.64 -1.33 0.05 113.55 121.16 2k3k h SER 32 Ca 0.24 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2k3k h SER 32 Cb -0.10 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2k3k h SER 32 CO -0.05 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 2k3k n GLN 33 N -4.65 0.10 0.00 4.77 1.13 -0.68 -3.04 117.38 115.01 2k3k n GLN 33 Ca 0.26 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.61 2k3k n GLN 33 Cb 0.90 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 29.59 2k3k n GLN 33 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2k3k n PHE 34 N -1.84 0.00 -3.27 1.08 3.72 -0.35 -4.97 117.46 111.82 2k3k n PHE 34 Ca 0.04 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.46 2k3k n PHE 34 Cb 0.23 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 2k3k n PHE 34 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2k3k s GLY 35 N -1.32 -0.93 0.05 1.37 0.00 -0.14 -3.33 107.32 103.03 2k3k s GLY 35 Ca 0.00 1.98 -0.33 0.00 0.00 0.00 0.00 44.72 46.37 2k3k s GLY 35 CO 0.00 3.31 1.82 -0.18 0.00 0.00 0.00 173.10 178.05 2k3k n GLN 36 N 5.43 2.48 -1.78 2.90 -0.06 -1.17 -3.55 117.38 121.64 2k3k n GLN 36 Ca -0.04 0.90 -0.37 0.00 -2.00 0.00 0.00 57.00 55.49 2k3k n GLN 36 Cb 0.51 -2.77 0.06 0.00 -4.06 0.00 0.00 30.24 23.97 2k3k n GLN 36 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2k3k s ILE 37 N 3.02 2.09 0.00 1.69 -1.09 -1.26 -1.51 121.20 124.13 2k3k s ILE 37 Ca 0.86 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.34 2k3k s ILE 37 Cb -0.58 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 2k3k s ILE 37 CO 0.43 -0.01 0.00 -0.11 -1.23 0.00 0.00 174.94 174.02 2k3k n LEU 38 N -1.57 1.85 -3.65 2.97 7.94 0.64 -4.52 117.00 120.65 2k3k n LEU 38 Ca 0.14 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.94 2k3k n LEU 38 Cb 0.47 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.39 2k3k n LEU 38 CO 0.49 0.31 0.33 -0.62 -1.11 0.00 0.00 177.39 176.79 2k3k s ASP 39 N -3.54 -0.35 -0.01 1.96 2.15 -0.62 -4.98 116.67 111.29 2k3k s ASP 39 Ca 0.00 -0.35 -0.02 0.00 0.43 0.00 0.00 52.55 52.62 2k3k s ASP 39 Cb 0.00 0.60 -0.00 0.00 -0.30 0.00 0.00 42.92 43.22 2k3k s ASP 39 CO 0.00 -1.06 0.04 -0.63 -0.17 0.00 0.00 175.17 173.35 2k3k s ILE 40 N -3.84 0.03 -0.14 4.11 1.01 -1.26 -0.44 121.20 120.67 2k3k s ILE 40 Ca 0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.40 2k3k s ILE 40 Cb -0.02 -0.16 0.05 0.00 0.01 0.00 0.00 42.46 42.35 2k3k s ILE 40 CO -0.05 -0.15 0.08 -0.69 0.00 0.00 0.00 174.94 174.13 2k3k s VAL 41 N -0.45 -0.09 0.20 2.92 1.01 -0.14 -4.99 120.40 118.85 2k3k s VAL 41 Ca -0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 2k3k s VAL 41 Cb -0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 2k3k s VAL 41 CO -0.00 -0.17 0.32 0.00 0.00 0.00 0.00 175.10 175.25 2k3k s ALA 42 N 2.15 0.17 0.20 5.51 0.00 -1.26 -0.92 121.76 127.60 2k3k s ALA 42 Ca 0.03 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 2k3k s ALA 42 Cb -0.15 1.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 2k3k s ALA 42 CO -0.08 -0.71 0.11 -0.51 0.00 0.00 0.00 175.76 174.57 2k3k s LEU 43 N -3.03 1.40 0.40 0.00 1.43 -0.14 -5.00 118.68 113.75 2k3k s LEU 43 Ca 0.24 -1.35 0.22 0.00 -1.03 0.00 0.00 54.13 52.20 2k3k s LEU 43 Cb 0.03 0.26 0.66 0.00 0.03 0.00 0.00 46.19 47.17 2k3k s LEU 43 CO 0.06 -0.79 1.71 0.11 0.23 0.00 0.00 176.35 177.67 2k3k h LYS 44 N 2.60 0.00 -6.32 1.70 1.57 -1.98 -3.32 116.57 110.82 2k3k h LYS 44 Ca -0.36 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.77 2k3k h LYS 44 Cb 1.24 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.59 2k3k h LYS 44 CO 0.56 0.26 0.82 2.41 -0.57 0.00 0.00 179.45 182.94 2k3k n THR 45 N -3.30 0.22 -0.20 -0.16 -1.04 -1.26 -4.78 114.28 103.75 2k3k n THR 45 Ca 0.01 -0.04 0.01 0.00 -2.04 0.00 0.00 64.05 61.99 2k3k n THR 45 Cb 0.51 -1.41 0.11 0.00 -1.82 0.00 0.00 70.33 67.72 2k3k n THR 45 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2k3k h LEU 46 N 6.78 0.05 -1.73 -4.42 5.85 -1.98 -0.09 115.31 119.76 2k3k h LEU 46 Ca -0.47 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2k3k h LEU 46 Cb 1.29 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2k3k h LEU 46 CO 0.89 0.03 0.00 0.07 -0.34 0.00 0.00 178.44 179.09 2k3k h LYS 47 N 0.29 0.00 0.00 1.25 2.10 -1.95 -0.44 116.57 117.82 2k3k h LYS 47 Ca 0.32 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.93 2k3k h LYS 47 Cb 0.46 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.70 2k3k h LYS 47 CO -0.39 0.00 -0.51 -0.12 -2.00 0.00 0.00 179.45 176.43 2k3k n MET 48 N -2.46 0.97 -0.01 0.07 1.56 -0.14 -4.15 117.12 112.95 2k3k n MET 48 Ca -0.01 -2.57 -0.01 0.00 -0.27 0.00 0.00 57.70 54.84 2k3k n MET 48 Cb 0.06 -1.09 -0.02 0.00 2.15 0.00 0.00 33.22 34.33 2k3k n MET 48 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 2k3k n ARG 49 N -0.69 3.11 0.00 2.12 0.63 -0.28 -0.97 116.66 120.59 2k3k n ARG 49 Ca 0.13 -0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.19 2k3k n ARG 49 Cb 0.78 -1.06 0.39 0.00 0.45 0.00 0.00 32.46 33.03 2k3k n ARG 49 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k3k n GLY 50 N 2.78 -1.04 3.00 5.14 0.00 -0.57 -4.28 105.19 110.22 2k3k n GLY 50 Ca -0.03 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 2k3k n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k3k s GLN 51 N -2.76 0.38 0.22 1.61 -0.21 -1.26 -2.01 119.66 115.62 2k3k s GLN 51 Ca 0.18 -0.56 -0.16 0.00 0.02 0.00 0.00 55.36 54.84 2k3k s GLN 51 Cb 0.19 -0.11 0.02 0.00 1.00 0.00 0.00 33.01 34.10 2k3k s GLN 51 CO 0.59 0.01 0.53 0.00 -2.12 0.00 0.00 175.29 174.30 2k3k s ALA 52 N -1.13 -0.76 0.17 6.09 0.00 -0.52 -4.36 121.76 121.25 2k3k s ALA 52 Ca -0.10 -0.43 0.09 0.00 0.00 0.00 0.00 51.96 51.53 2k3k s ALA 52 Cb -0.08 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2k3k s ALA 52 CO -0.00 -0.84 -0.21 -0.06 0.00 0.00 0.00 175.76 174.65 2k3k s PHE 53 N -3.92 1.99 -0.13 0.00 0.08 -0.10 -0.81 117.98 115.08 2k3k s PHE 53 Ca 0.13 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.65 2k3k s PHE 53 Cb -0.01 -1.00 0.04 0.00 -0.57 0.00 0.00 43.02 41.47 2k3k s PHE 53 CO 0.02 0.37 0.34 0.54 -0.10 0.00 0.00 175.22 176.39 2k3k s VAL 54 N -1.80 -0.01 -0.06 -0.44 0.11 -0.96 -0.97 120.40 116.28 2k3k s VAL 54 Ca 0.16 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.25 2k3k s VAL 54 Cb -0.07 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2k3k s VAL 54 CO 0.07 0.01 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.13 2k3k s ILE 55 N 0.40 3.46 0.38 7.04 1.09 0.41 -1.40 121.20 132.58 2k3k s ILE 55 Ca -0.02 -0.57 0.07 0.00 -1.10 0.00 0.00 60.65 59.03 2k3k s ILE 55 Cb -0.04 -2.40 -0.07 0.00 -1.06 0.00 0.00 42.46 38.89 2k3k s ILE 55 CO -0.02 0.59 -0.01 -0.36 -0.10 0.00 0.00 174.94 175.05 2k3k s PHE 56 N -0.73 2.38 0.40 3.97 0.40 -0.37 -0.26 117.98 123.78 2k3k s PHE 56 Ca 0.11 -0.68 0.07 0.00 -0.60 0.00 0.00 56.93 55.83 2k3k s PHE 56 Cb -0.11 -1.59 0.84 0.00 0.51 0.00 0.00 43.02 42.67 2k3k s PHE 56 CO 0.01 0.41 2.05 0.87 0.70 0.00 0.00 175.22 179.26 2k3k h LYS 57 N 1.90 0.57 -2.80 0.44 1.79 -1.50 -3.42 116.57 113.55 2k3k h LYS 57 Ca -0.43 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 57.93 2k3k h LYS 57 Cb 1.24 -0.13 -0.18 0.00 -1.58 0.00 0.00 32.23 31.59 2k3k h LYS 57 CO 0.76 0.38 -0.07 -2.00 -1.08 0.00 0.00 179.45 177.45 2k3k s GLU 58 N -5.52 0.91 0.47 3.15 2.12 -1.26 -5.05 118.70 113.52 2k3k s GLU 58 Ca -0.08 -0.19 0.12 0.00 0.36 0.00 0.00 54.97 55.18 2k3k s GLU 58 Cb 0.18 0.41 1.09 0.00 0.26 0.00 0.00 34.13 36.07 2k3k s GLU 58 CO 0.74 -0.30 2.10 -0.84 -0.54 0.00 0.00 175.26 176.42 2k3k h ILE 59 N 3.16 1.05 -0.22 -3.70 3.07 -1.88 -0.69 117.51 118.29 2k3k h ILE 59 Ca -0.30 -0.12 -0.15 0.00 1.55 0.00 0.00 64.86 65.84 2k3k h ILE 59 Cb 1.19 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 2k3k h ILE 59 CO 0.41 0.05 -0.45 1.23 -1.05 0.00 0.00 178.15 178.35 2k3k h GLY 60 N 0.25 0.76 0.99 0.16 0.00 -1.97 -1.42 103.07 101.84 2k3k h GLY 60 Ca 0.06 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.46 2k3k h GLY 60 CO -0.01 0.81 0.28 1.76 0.00 0.00 0.00 176.54 179.38 2k3k h SER 61 N 0.41 0.79 -0.11 0.19 0.02 -1.72 0.06 113.55 113.19 2k3k h SER 61 Ca 0.01 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2k3k h SER 61 Cb 1.05 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 2k3k h SER 61 CO 0.10 0.71 -0.01 0.00 -1.14 0.00 0.00 176.83 176.49 2k3k h ALA 62 N 1.11 0.08 -0.79 3.77 0.00 -1.12 -0.62 119.26 121.69 2k3k h ALA 62 Ca 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2k3k h ALA 62 Cb 0.14 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2k3k h ALA 62 CO -0.02 -0.47 0.45 0.77 0.00 0.00 0.00 179.25 179.98 2k3k h SER 63 N 0.02 0.96 -0.31 0.00 0.02 -0.86 -0.43 113.55 112.95 2k3k h SER 63 Ca 0.05 -0.08 -0.16 0.00 -0.84 0.00 0.00 61.79 60.76 2k3k h SER 63 Cb 0.07 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 2k3k h SER 63 CO -0.09 0.76 -0.41 -1.13 -1.14 0.00 0.00 176.83 174.81 2k3k h ASN 64 N 1.08 0.90 0.01 3.07 -1.24 -0.77 -0.01 115.58 118.62 2k3k h ASN 64 Ca 0.28 -0.50 0.01 0.00 0.71 0.00 0.00 56.30 56.80 2k3k h ASN 64 Cb -0.01 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 2k3k h ASN 64 CO -0.05 1.22 -0.08 0.00 -1.29 0.00 0.00 177.43 177.23 2k3k h ALA 65 N 0.71 -0.09 0.14 1.57 0.00 -0.96 -0.92 119.26 119.70 2k3k h ALA 65 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2k3k h ALA 65 Cb 1.01 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2k3k h ALA 65 CO 0.10 -0.58 -0.30 1.25 0.00 0.00 0.00 179.25 179.72 2k3k h LEU 66 N -0.15 -0.84 -0.22 0.00 6.46 -0.89 -0.67 115.31 119.00 2k3k h LEU 66 Ca 0.03 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2k3k h LEU 66 Cb 0.18 0.32 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 2k3k h LEU 66 CO -0.08 -0.39 0.14 -0.09 -0.62 0.00 0.00 178.44 177.40 2k3k h ARG 67 N -0.53 0.30 -0.57 1.25 2.43 -0.91 0.11 114.38 116.46 2k3k h ARG 67 Ca 0.02 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2k3k h ARG 67 Cb 0.55 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2k3k h ARG 67 CO -0.16 0.24 0.06 1.15 -1.51 0.00 0.00 179.97 179.74 2k3k h THR 68 N 0.28 1.25 -0.00 0.20 2.02 -0.94 -2.94 112.91 112.78 2k3k h THR 68 Ca 0.08 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.24 2k3k h THR 68 Cb 0.01 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2k3k h THR 68 CO -0.02 0.37 -0.46 0.23 0.37 0.00 0.00 175.52 176.02 2k3k n MET 69 N -4.21 0.25 -1.68 6.66 2.81 -0.28 -4.69 117.12 115.98 2k3k n MET 69 Ca 0.03 -0.15 -0.45 0.00 -1.81 0.00 0.00 57.70 55.32 2k3k n MET 69 Cb 0.29 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.27 2k3k n MET 69 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2k3k n GLN 70 N -1.24 2.46 -0.78 0.03 -0.06 0.00 -1.38 117.38 116.42 2k3k n GLN 70 Ca 0.07 0.90 0.00 0.00 -2.00 0.00 0.00 57.00 55.97 2k3k n GLN 70 Cb 0.34 -2.76 0.00 0.00 -4.06 0.00 0.00 30.24 23.76 2k3k n GLN 70 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k3k n GLY 71 N 4.14 0.53 3.75 1.69 0.00 -0.37 -4.96 105.19 109.98 2k3k n GLY 71 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2k3k n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k3k s PHE 72 N -2.58 3.24 -1.27 1.61 5.36 -0.48 -4.28 117.98 119.59 2k3k s PHE 72 Ca 0.00 1.39 -0.17 0.00 -0.96 0.00 0.00 56.93 57.19 2k3k s PHE 72 Cb 0.00 -3.57 -0.01 0.00 -0.34 0.00 0.00 43.02 39.10 2k3k s PHE 72 CO 0.00 -1.62 2.08 -0.35 -1.46 0.00 0.00 175.22 173.88 2k3k n PRO 73 N 1.67 2.53 -0.16 10.12 -0.04 -1.26 -0.93 135.00 146.93 2k3k n PRO 73 Ca 0.02 -2.51 -0.02 0.00 -0.04 0.00 0.00 63.50 60.95 2k3k n PRO 73 Cb 0.43 -3.25 0.06 0.00 -0.04 0.00 0.00 33.50 30.70 2k3k n PRO 73 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2k3k h PHE 74 N 6.81 0.09 -1.54 0.54 3.57 -1.88 -3.34 116.94 121.19 2k3k h PHE 74 Ca 0.50 0.03 -0.39 0.00 3.53 0.00 0.00 57.97 61.65 2k3k h PHE 74 Cb 0.69 0.04 -0.27 0.00 2.79 0.00 0.00 35.95 39.19 2k3k h PHE 74 CO 1.39 -0.05 -0.76 0.66 -2.23 0.00 0.00 178.31 177.32 2k3k n TYR 75 N -5.16 -2.19 -2.35 0.41 4.01 -1.26 -4.95 117.16 105.68 2k3k n TYR 75 Ca 0.05 -2.46 -0.13 0.00 -0.16 0.00 0.00 57.90 55.20 2k3k n TYR 75 Cb 0.25 0.78 -0.01 0.00 -0.31 0.00 0.00 39.34 40.05 2k3k n TYR 75 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2k3k n ASP 76 N 2.54 -4.09 -3.70 7.72 2.03 -1.25 -4.82 116.55 114.97 2k3k n ASP 76 Ca 0.22 0.18 -0.10 0.00 0.52 0.00 0.00 54.79 55.61 2k3k n ASP 76 Cb 0.53 -3.49 -0.11 0.00 -0.72 0.00 0.00 41.12 37.33 2k3k n ASP 76 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2k3k s LYS 77 N -4.87 0.38 -0.01 -0.67 2.20 -1.26 -5.10 119.74 110.40 2k3k s LYS 77 Ca 0.00 0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 56.09 2k3k s LYS 77 Cb 0.00 -0.02 -0.06 0.00 -1.51 0.00 0.00 37.83 36.24 2k3k s LYS 77 CO 0.00 -0.16 1.49 -1.25 -0.36 0.00 0.00 175.35 175.07 2k3k s PRO 78 N 1.42 4.24 0.72 4.03 0.04 -1.26 -2.94 135.00 141.26 2k3k s PRO 78 Ca -0.09 2.06 -0.15 0.00 0.04 0.00 0.00 61.00 62.85 2k3k s PRO 78 Cb -0.09 -3.68 0.04 0.00 0.04 0.00 0.00 34.50 30.81 2k3k s PRO 78 CO -0.13 -0.67 1.21 -1.64 0.04 0.00 0.00 177.00 175.81 2k3k s MET 79 N 2.87 2.18 -0.04 4.56 -1.94 -0.11 -4.84 119.30 121.99 2k3k s MET 79 Ca 0.67 1.76 0.01 0.00 -1.71 0.00 0.00 55.69 56.42 2k3k s MET 79 Cb -0.33 -1.84 0.02 0.00 2.01 0.00 0.00 34.83 34.69 2k3k s MET 79 CO 0.27 -1.80 -0.04 -1.14 -0.01 0.00 0.00 175.02 172.30 2k3k s GLN 80 N -3.89 0.76 0.03 2.03 0.74 -1.26 -1.24 119.66 116.83 2k3k s GLN 80 Ca 0.74 -0.11 0.01 0.00 0.05 0.00 0.00 55.36 56.05 2k3k s GLN 80 Cb -0.29 -0.77 -0.02 0.00 1.10 0.00 0.00 33.01 33.02 2k3k s GLN 80 CO 0.45 -0.06 -0.04 0.42 -0.55 0.00 0.00 175.29 175.51 2k3k s ILE 81 N 0.79 0.25 0.13 -2.34 1.01 -1.26 -0.68 121.20 119.10 2k3k s ILE 81 Ca -0.10 -1.03 -0.02 0.00 0.00 0.00 0.00 60.65 59.49 2k3k s ILE 81 Cb -0.13 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2k3k s ILE 81 CO 0.00 -0.51 0.08 0.00 0.00 0.00 0.00 174.94 174.52 2k3k s ALA 82 N -1.63 0.72 0.57 9.38 0.00 -0.24 -5.00 121.76 125.55 2k3k s ALA 82 Ca -0.12 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.31 2k3k s ALA 82 Cb -0.09 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 2k3k s ALA 82 CO -0.01 -0.50 1.03 1.52 0.00 0.00 0.00 175.76 177.79 2k3k s TYR 83 N -4.03 3.24 -1.03 0.00 1.13 -1.26 -0.52 117.35 114.88 2k3k s TYR 83 Ca 0.22 1.47 -0.23 0.00 -1.41 0.00 0.00 57.07 57.12 2k3k s TYR 83 Cb 0.07 -2.89 -0.03 0.00 -1.10 0.00 0.00 41.96 38.01 2k3k s TYR 83 CO 0.01 -0.78 1.84 -1.12 -2.51 0.00 0.00 175.55 172.99 2k3k s SER 84 N -3.08 5.48 0.29 -0.18 0.01 -0.76 -4.61 113.70 110.85 2k3k s SER 84 Ca 0.61 -1.20 0.17 0.00 1.31 0.00 0.00 55.95 56.84 2k3k s SER 84 Cb -0.13 -2.57 0.91 0.00 0.21 0.00 0.00 66.02 64.44 2k3k s SER 84 CO 0.37 -2.50 1.47 0.29 0.41 0.00 0.00 173.24 173.29 2k3k n LYS 85 N 8.68 0.11 -0.29 12.44 5.02 -1.26 -1.17 118.16 141.69 2k3k n LYS 85 Ca 0.41 0.60 0.08 0.00 -2.02 0.00 0.00 58.31 57.38 2k3k n LYS 85 Cb 0.47 -1.97 0.17 0.00 -0.02 0.00 0.00 35.03 33.69 2k3k n LYS 85 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2k3k n SER 86 N -2.11 2.07 -0.26 4.39 7.64 -1.26 -4.85 113.62 119.24 2k3k n SER 86 Ca -0.01 -3.41 0.06 0.00 1.01 0.00 0.00 58.87 56.52 2k3k n SER 86 Cb 0.13 -0.47 0.20 0.00 -1.01 0.00 0.00 64.21 63.06 2k3k n SER 86 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2k3k h ASP 87 N 0.41 0.11 -0.79 6.43 3.58 -1.54 -1.33 116.42 123.29 2k3k h ASP 87 Ca -0.00 0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.62 2k3k h ASP 87 Cb 1.01 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 42.18 2k3k h ASP 87 CO 0.00 -0.00 0.52 0.28 -2.88 0.00 0.00 179.24 177.16 2k3k h SER 88 N 0.32 0.85 -0.05 2.28 0.02 -1.89 0.04 113.55 115.12 2k3k h SER 88 Ca 0.43 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 61.23 2k3k h SER 88 Cb 0.73 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.08 2k3k h SER 88 CO -0.49 0.59 -0.52 -0.78 -1.14 0.00 0.00 176.83 174.49 2k3k h ASP 89 N 0.99 0.55 -0.02 3.07 3.58 -1.65 -0.99 116.42 121.95 2k3k h ASP 89 Ca 0.31 -0.69 -0.14 0.00 0.42 0.00 0.00 57.03 56.93 2k3k h ASP 89 Cb 0.02 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2k3k h ASP 89 CO -0.09 1.16 -0.44 0.16 -2.88 0.00 0.00 179.24 177.15 2k3k h ILE 90 N -0.02 1.31 -0.36 2.25 3.07 -1.24 0.59 117.51 123.10 2k3k h ILE 90 Ca -0.05 -1.62 -0.03 0.00 1.55 0.00 0.00 64.86 64.71 2k3k h ILE 90 Cb 1.19 1.61 -0.02 0.00 -0.27 0.00 0.00 36.82 39.34 2k3k h ILE 90 CO 0.10 0.51 0.12 0.58 -1.05 0.00 0.00 178.15 178.42 2k3k h VAL 91 N 0.45 1.20 -0.33 0.16 2.07 -1.02 -1.42 116.25 117.36 2k3k h VAL 91 Ca 0.03 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 2k3k h VAL 91 Cb 0.95 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2k3k h VAL 91 CO 0.08 0.23 0.11 0.00 0.02 0.00 0.00 177.57 178.01 2k3k h ALA 92 N 0.97 1.58 0.26 1.67 0.00 -0.84 -0.01 119.26 122.89 2k3k h ALA 92 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k3k h ALA 92 Cb 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k3k h ALA 92 CO -0.01 0.32 -0.12 -0.22 0.00 0.00 0.00 179.25 179.22 2k3k h LYS 93 N 0.47 -0.34 -0.10 0.00 3.64 -0.41 -0.10 116.57 119.72 2k3k h LYS 93 Ca 0.11 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 2k3k h LYS 93 Cb 0.13 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2k3k h LYS 93 CO -0.01 -0.10 -0.43 -0.84 -2.27 0.00 0.00 179.45 175.80 2k3k h ILE 94 N -0.53 1.32 -0.32 2.00 3.07 -1.00 -3.02 117.51 119.03 2k3k h ILE 94 Ca -0.04 -1.57 -0.17 0.00 1.55 0.00 0.00 64.86 64.63 2k3k h ILE 94 Cb 0.39 1.72 -0.00 0.00 -0.27 0.00 0.00 36.82 38.66 2k3k h ILE 94 CO 0.06 0.47 -0.46 0.50 -1.05 0.00 0.00 178.15 177.67 2k3k h LYS 95 N 0.19 0.85 0.00 0.16 3.64 -0.97 -3.48 116.57 116.97 2k3k h LYS 95 Ca 0.02 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2k3k h LYS 95 Cb 0.85 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2k3k h LYS 95 CO 0.07 1.13 0.00 0.41 -2.27 0.00 0.00 179.45 178.78 2k3k n GLY 96 N 0.21 1.96 0.32 5.01 0.00 -0.12 -4.98 105.19 107.60 2k3k n GLY 96 Ca -0.03 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.18 2k3k n GLY 96 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k3k h THR 97 N 0.00 0.24 -0.21 2.61 1.35 -1.71 -0.11 112.91 115.09 2k3k h THR 97 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 2k3k h THR 97 Cb 0.00 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 2k3k h THR 97 CO 0.00 0.00 0.27 2.19 -0.25 0.00 0.00 175.52 177.73 2k3k h PHE 98 N 0.00 0.00 0.00 4.73 -0.00 -1.65 -0.82 116.94 119.20 2k3k h PHE 98 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.98 2k3k h PHE 98 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.03 2k3k h PHE 98 CO 0.00 0.00 -0.73 0.36 -0.00 0.00 0.00 178.31 177.94 2k3k n LYS 99 N -3.64 2.43 0.08 6.09 2.85 -0.70 -4.38 118.16 120.90 2k3k n LYS 99 Ca 0.02 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.18 2k3k n LYS 99 Cb 0.39 -0.87 -0.04 0.00 -0.65 0.00 0.00 35.03 33.87 2k3k n LYS 99 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2k3k h GLU 100 N 0.00 0.23 -1.70 -1.58 4.81 -0.98 -3.39 114.58 111.97 2k3k h GLU 100 Ca 0.00 -0.27 -0.49 0.00 -0.13 0.00 0.00 59.36 58.47 2k3k h GLU 100 Cb 0.46 0.08 -0.35 0.00 0.63 0.00 0.00 28.75 29.57 2k3k h GLU 100 CO 0.00 1.01 -1.03 0.54 -0.73 0.00 0.00 179.01 178.80 2k3k n ARG 101 N -3.64 0.78 0.28 1.92 1.74 -0.32 -4.98 116.66 112.44 2k3k n ARG 101 Ca -0.04 -3.03 0.14 0.00 -0.77 0.00 0.00 57.85 54.14 2k3k n ARG 101 Cb 0.85 -1.33 0.80 0.00 -1.02 0.00 0.00 32.46 31.76 2k3k n ARG 101 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2k3k h PRO 102 N 3.77 0.00 -3.21 5.56 0.13 -1.75 -3.39 132.00 133.11 2k3k h PRO 102 Ca 0.04 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.94 2k3k h PRO 102 Cb 0.92 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.74 2k3k h PRO 102 CO 0.44 0.08 -0.58 0.21 -0.23 0.00 0.00 178.00 177.92 2k3k s LYS 103 N -4.25 0.11 0.00 0.86 2.20 -1.26 -5.06 119.74 112.34 2k3k s LYS 103 Ca -0.03 0.40 0.02 0.00 -0.36 0.00 0.00 55.97 56.01 2k3k s LYS 103 Cb 0.13 -0.17 0.15 0.00 -1.51 0.00 0.00 37.83 36.42 2k3k s LYS 103 CO 0.56 -0.17 0.63 1.63 -0.36 0.00 0.00 175.35 177.64