#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2y n GLY 2 N 0.00 0.84 3.65 3.38 0.00 -1.26 -4.73 105.19 107.06 3k2y n GLY 2 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3k2y n GLY 2 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k2y n ASP 3 N 0.00 -5.51 -4.18 1.61 8.00 -1.26 -5.02 116.55 110.18 3k2y n ASP 3 Ca 0.00 -0.83 -0.20 0.00 0.71 0.00 0.00 54.79 54.46 3k2y n ASP 3 Cb 0.00 -2.86 -0.13 0.00 -0.02 0.00 0.00 41.12 38.11 3k2y n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k2y s ALA 4 N -3.17 1.29 -0.16 2.24 0.00 -1.26 -5.00 121.76 115.70 3k2y s ALA 4 Ca 0.18 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3k2y s ALA 4 Cb -0.08 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3k2y s ALA 4 CO 0.87 0.23 -0.16 0.00 0.00 0.00 0.00 175.76 176.70 3k2y s ALA 5 N -1.01 1.97 -0.21 0.00 0.00 -1.26 -1.72 121.76 119.53 3k2y s ALA 5 Ca 0.01 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.93 3k2y s ALA 5 Cb -0.09 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 3k2y s ALA 5 CO 0.02 -0.37 0.03 0.08 0.00 0.00 0.00 175.76 175.52 3k2y s VAL 6 N 1.44 4.20 0.42 0.00 1.01 -0.29 -4.93 120.40 122.25 3k2y s VAL 6 Ca 0.05 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 3k2y s VAL 6 Cb -0.13 -2.92 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 3k2y s VAL 6 CO -0.11 0.41 1.19 0.00 0.00 0.00 0.00 175.10 176.58 3k2y s ALA 7 N 1.07 3.11 0.00 5.51 0.00 -1.26 -0.55 121.76 129.63 3k2y s ALA 7 Ca 0.03 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3k2y s ALA 7 Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3k2y s ALA 7 CO 0.02 -0.62 0.00 1.28 0.00 0.00 0.00 175.76 176.45 3k2y n LEU 8 N -0.10 0.00 -3.83 0.00 4.77 0.51 -4.86 117.00 113.49 3k2y n LEU 8 Ca 0.05 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3k2y n LEU 8 Cb 0.47 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 3k2y n LEU 8 CO 0.50 -0.11 0.95 -0.62 -1.33 0.00 0.00 177.39 176.79 3k2y s ASP 9 N -1.07 -0.03 0.17 -1.43 -1.08 -1.23 -4.98 116.67 107.02 3k2y s ASP 9 Ca 0.00 -0.36 -0.13 0.00 -0.52 0.00 0.00 52.55 51.54 3k2y s ASP 9 Cb 0.00 0.30 -0.07 0.00 -1.46 0.00 0.00 42.92 41.69 3k2y s ASP 9 CO 0.00 -0.59 0.55 -0.89 0.52 0.00 0.00 175.17 174.76 3k2y s THR 10 N -2.32 4.88 0.13 1.71 2.01 -1.26 -0.74 115.64 120.05 3k2y s THR 10 Ca 0.21 0.70 -0.03 0.00 0.31 0.00 0.00 61.69 62.89 3k2y s THR 10 Cb 0.00 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 3k2y s THR 10 CO 0.01 0.13 0.09 0.68 -0.69 0.00 0.00 174.62 174.84 3k2y s VAL 11 N -1.59 0.11 -0.14 3.82 -7.23 -0.74 -4.96 120.40 109.67 3k2y s VAL 11 Ca 0.41 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 3k2y s VAL 11 Cb -0.14 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.88 3k2y s VAL 11 CO 0.20 -0.51 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.44 3k2y s THR 12 N -4.01 2.73 -0.41 5.32 2.01 -1.26 -1.63 115.64 118.40 3k2y s THR 12 Ca 0.20 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 61.23 3k2y s THR 12 Cb 0.07 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.45 3k2y s THR 12 CO -0.00 0.52 0.70 -0.69 -0.69 0.00 0.00 174.62 174.45 3k2y s VAL 13 N 0.66 4.78 0.53 3.82 1.01 -0.15 -1.24 120.40 129.81 3k2y s VAL 13 Ca -0.08 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.39 3k2y s VAL 13 Cb -0.16 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.05 3k2y s VAL 13 CO 0.02 -0.53 0.35 0.68 0.00 0.00 0.00 175.10 175.62 3k2y s VAL 14 N 2.96 1.66 0.00 2.92 -7.23 0.37 -4.03 120.40 117.05 3k2y s VAL 14 Ca 0.26 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3k2y s VAL 14 Cb -0.13 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.59 3k2y s VAL 14 CO 0.19 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 3k2y n GLY 15 N -1.68 0.49 0.37 2.32 0.00 -1.26 -1.22 105.19 104.22 3k2y n GLY 15 Ca -0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.13 3k2y n GLY 15 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3k2y h GLU 16 N 1.15 0.64 -0.04 1.61 3.07 -1.86 -0.63 114.58 118.52 3k2y h GLU 16 Ca 0.00 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.83 3k2y h GLU 16 Cb 0.15 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3k2y h GLU 16 CO 0.00 0.42 0.15 -0.09 -1.40 0.00 0.00 179.01 178.09 3k2y h ARG 17 N 0.66 0.00 -0.42 2.33 2.43 -1.90 -1.29 114.38 116.19 3k2y h ARG 17 Ca 0.52 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 3k2y h ARG 17 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3k2y h ARG 17 CO -0.28 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 178.84 3k2y n TYR 18 N -3.21 0.55 -3.45 2.20 4.01 -0.24 -4.94 117.16 112.07 3k2y n TYR 18 Ca -0.02 -0.30 -0.38 0.00 -0.16 0.00 0.00 57.90 57.04 3k2y n TYR 18 Cb 0.22 -0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.17 3k2y n TYR 18 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3k2y s VAL 19 N -1.31 5.23 0.37 -0.72 1.01 -0.49 -5.05 120.40 119.45 3k2y s VAL 19 Ca 0.37 0.57 -0.27 0.00 0.00 0.00 0.00 61.98 62.66 3k2y s VAL 19 Cb 0.21 -3.67 -0.12 0.00 0.00 0.00 0.00 36.38 32.80 3k2y s VAL 19 CO 0.29 0.27 1.20 0.47 0.00 0.00 0.00 175.10 177.33 3k2y n ASP 20 N 4.49 2.27 -4.09 3.32 8.00 -1.26 -2.10 116.55 127.17 3k2y n ASP 20 Ca -0.10 1.15 -0.32 0.00 0.71 0.00 0.00 54.79 56.24 3k2y n ASP 20 Cb 0.51 -1.44 -0.02 0.00 -0.02 0.00 0.00 41.12 40.15 3k2y n ASP 20 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3k2y n ASP 21 N 0.66 -2.39 0.12 -2.24 8.00 -1.26 -4.86 116.55 114.58 3k2y n ASP 21 Ca 0.07 -0.98 -0.02 0.00 0.71 0.00 0.00 54.79 54.56 3k2y n ASP 21 Cb 0.37 -2.99 0.16 0.00 -0.02 0.00 0.00 41.12 38.64 3k2y n ASP 21 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3k2y h ILE 22 N -1.69 1.42 0.52 0.53 6.09 -1.72 -2.80 117.51 119.85 3k2y h ILE 22 Ca -0.60 -2.04 -0.03 0.00 -1.37 0.00 0.00 64.86 60.82 3k2y h ILE 22 Cb 1.38 2.08 0.01 0.00 0.47 0.00 0.00 36.82 40.75 3k2y h ILE 22 CO 0.71 0.59 -0.25 0.58 -3.07 0.00 0.00 178.15 176.71 3k2y h VAL 23 N 0.06 0.00 -0.95 2.19 2.07 -1.89 -1.70 116.25 116.03 3k2y h VAL 23 Ca -0.01 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.55 3k2y h VAL 23 Cb 1.08 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.77 3k2y h VAL 23 CO 0.08 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.24 3k2y h ALA 24 N -1.58 1.45 -0.78 1.67 0.00 -1.98 -1.95 119.26 116.09 3k2y h ALA 24 Ca -0.07 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3k2y h ALA 24 Cb 0.53 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3k2y h ALA 24 CO 0.12 0.10 0.51 1.15 0.00 0.00 0.00 179.25 181.13 3k2y h THR 25 N 0.86 1.17 0.00 0.00 2.02 -1.44 -2.10 112.91 113.42 3k2y h THR 25 Ca 0.49 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.32 3k2y h THR 25 Cb 0.58 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3k2y h THR 25 CO -0.30 0.19 0.00 -0.07 0.37 0.00 0.00 175.52 175.71 3k2y h LEU 26 N 1.03 0.00 -0.07 2.58 3.38 -0.50 -1.66 115.31 120.08 3k2y h LEU 26 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3k2y h LEU 26 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3k2y h LEU 26 CO -0.08 0.00 -0.19 0.35 0.09 0.00 0.00 178.44 178.61 3k2y n THR 27 N -2.90 0.00 -0.26 0.22 -2.24 -0.79 -3.46 114.28 104.84 3k2y n THR 27 Ca -0.01 -0.02 0.05 0.00 -2.27 0.00 0.00 64.05 61.81 3k2y n THR 27 Cb 0.20 -0.15 0.28 0.00 -2.10 0.00 0.00 70.33 68.57 3k2y n THR 27 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3k2y n THR 28 N -1.34 1.80 -3.55 4.28 -2.24 -0.62 -4.90 114.28 107.70 3k2y n THR 28 Ca 0.09 -0.96 -0.12 0.00 -2.27 0.00 0.00 64.05 60.78 3k2y n THR 28 Cb 0.32 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 3k2y n THR 28 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3k2y s LEU 29 N -1.84 -0.06 0.28 3.22 0.05 -1.23 -4.98 118.68 114.12 3k2y s LEU 29 Ca 0.39 -0.03 -0.08 0.00 0.05 0.00 0.00 54.13 54.46 3k2y s LEU 29 Cb 0.28 2.17 -0.00 0.00 -2.05 0.00 0.00 46.19 46.59 3k2y s LEU 29 CO 0.13 -0.83 0.45 -0.13 -0.55 0.00 0.00 176.35 175.42 3k2y s ARG 30 N -3.22 1.65 0.41 1.48 0.52 -1.26 -4.98 118.95 113.55 3k2y s ARG 30 Ca -0.01 -1.47 -0.25 0.00 -0.52 0.00 0.00 55.73 53.49 3k2y s ARG 30 Cb 0.00 0.45 -0.11 0.00 0.52 0.00 0.00 34.95 35.81 3k2y s ARG 30 CO -0.08 -0.68 1.07 0.28 0.02 0.00 0.00 175.30 175.91 3k2y n VAL 31 N -0.43 2.43 -0.98 3.52 0.31 -1.26 -2.08 118.33 119.83 3k2y n VAL 31 Ca -0.01 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 3k2y n VAL 31 Cb 0.62 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 3k2y n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k2y n GLY 32 N 1.11 0.48 3.98 2.92 0.00 0.78 -4.97 105.19 109.48 3k2y n GLY 32 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 3k2y n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3k2y s MET 33 N -0.34 2.95 -0.00 1.61 0.00 -0.88 -4.80 119.30 117.83 3k2y s MET 33 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 55.69 54.86 3k2y s MET 33 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 34.83 32.13 3k2y s MET 33 CO 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 175.02 174.90 3k2y s ALA 34 N -2.45 3.75 0.12 4.11 0.00 -1.26 0.47 121.76 126.50 3k2y s ALA 34 Ca 0.50 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.65 3k2y s ALA 34 Cb -0.10 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 3k2y s ALA 34 CO 0.35 0.72 -0.07 0.14 0.00 0.00 0.00 175.76 176.90 3k2y s VAL 35 N -1.26 0.82 0.33 0.00 -7.23 0.14 -4.29 120.40 108.90 3k2y s VAL 35 Ca 0.25 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.52 3k2y s VAL 35 Cb -0.12 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 3k2y s VAL 35 CO 0.16 -0.79 0.35 -0.76 -0.31 0.00 0.00 175.10 173.76 3k2y s LEU 36 N -3.09 3.75 -0.01 1.32 1.43 0.40 -1.15 118.68 121.31 3k2y s LEU 36 Ca 0.15 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3k2y s LEU 36 Cb 0.05 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 3k2y s LEU 36 CO -0.02 -0.36 -0.08 -0.76 0.23 0.00 0.00 176.35 175.35 3k2y s LEU 37 N -4.05 1.94 0.01 1.79 1.43 -1.26 -0.40 118.68 118.15 3k2y s LEU 37 Ca 0.42 -0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.36 3k2y s LEU 37 Cb -0.07 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.68 3k2y s LEU 37 CO 0.28 0.09 -0.01 0.00 0.23 0.00 0.00 176.35 176.94 3k2y s GLN 38 N -0.08 0.16 0.64 1.70 -2.07 -0.76 -4.94 119.66 114.31 3k2y s GLN 38 Ca 0.01 -0.31 -0.12 0.00 -1.82 0.00 0.00 55.36 53.13 3k2y s GLN 38 Cb -0.05 0.06 -0.02 0.00 -1.09 0.00 0.00 33.01 31.91 3k2y s GLN 38 CO -0.00 -0.03 1.04 1.03 -1.32 0.00 0.00 175.29 176.01 3k2y s ARG 39 N -0.75 3.33 -0.47 9.60 1.81 -1.26 -0.81 118.95 130.39 3k2y s ARG 39 Ca -0.08 0.87 0.08 0.00 -1.72 0.00 0.00 55.73 54.88 3k2y s ARG 39 Cb -0.05 -2.04 0.31 0.00 -0.45 0.00 0.00 34.95 32.71 3k2y s ARG 39 CO -0.00 -0.78 0.75 -1.91 -0.68 0.00 0.00 175.30 172.67 3k2y n GLU 40 N -2.79 1.78 -1.65 3.54 2.13 -0.80 -4.83 120.64 118.01 3k2y n GLU 40 Ca 0.07 -3.95 -0.43 0.00 0.66 0.00 0.00 57.16 53.50 3k2y n GLU 40 Cb 0.54 -1.83 -0.01 0.00 0.27 0.00 0.00 31.44 30.41 3k2y n GLU 40 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 3k2y n SER 41 N 0.48 2.04 0.00 4.31 7.64 -1.26 -1.97 113.62 124.86 3k2y n SER 41 Ca 0.27 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.32 3k2y n SER 41 Cb 0.52 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 3k2y n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k2y n GLY 42 N 0.98 0.74 3.69 0.23 0.00 -1.26 -4.99 105.19 104.58 3k2y n GLY 42 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 3k2y n GLY 42 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k2y n ASN 43 N 0.00 3.55 0.24 1.61 2.85 -0.83 -4.84 115.26 117.84 3k2y n ASN 43 Ca 0.00 1.04 0.17 0.00 -0.11 0.00 0.00 54.58 55.68 3k2y n ASN 43 Cb 0.00 -1.48 0.72 0.00 1.24 0.00 0.00 39.78 40.26 3k2y n ASN 43 CO 0.00 0.00 0.00 0.06 -2.11 0.00 0.00 177.26 175.21 3k2y h GLN 44 N 7.08 0.00 0.00 1.20 3.07 -1.94 -3.18 115.11 121.34 3k2y h GLN 44 Ca -0.45 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 57.97 3k2y h GLN 44 Cb 1.24 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.74 3k2y h GLN 44 CO 0.92 0.00 -2.32 0.66 0.09 0.00 0.00 178.83 178.19 3k2y n TYR 45 N -2.82 0.02 -3.69 0.06 4.01 -1.26 -4.97 117.16 108.52 3k2y n TYR 45 Ca 0.00 0.01 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 3k2y n TYR 45 Cb 0.23 -0.93 -0.11 0.00 -0.31 0.00 0.00 39.34 38.22 3k2y n TYR 45 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3k2y s ASP 46 N -5.36 -0.40 0.29 7.72 2.15 -1.20 -5.03 116.67 114.84 3k2y s ASP 46 Ca -0.10 0.88 0.26 0.00 0.43 0.00 0.00 52.55 54.02 3k2y s ASP 46 Cb 0.07 0.88 0.75 0.00 -0.30 0.00 0.00 42.92 44.32 3k2y s ASP 46 CO 0.84 -0.20 1.74 0.44 -0.17 0.00 0.00 175.17 177.82 3k2y h ASP 47 N 7.42 0.00 -0.45 -0.34 3.32 -1.94 -3.15 116.42 121.28 3k2y h ASP 47 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3k2y h ASP 47 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3k2y h ASP 47 CO 0.25 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.36 3k2y n ASN 48 N -2.52 4.14 -4.67 6.45 3.02 -1.26 -4.81 115.26 115.61 3k2y n ASN 48 Ca 0.04 -2.55 -0.48 0.00 -0.03 0.00 0.00 54.58 51.56 3k2y n ASN 48 Cb 0.42 -0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 39.05 3k2y n ASN 48 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k2y n ALA 49 N 0.45 0.96 -3.56 5.41 0.00 -1.19 -4.66 120.51 117.91 3k2y n ALA 49 Ca 0.21 0.36 -0.23 0.00 0.00 0.00 0.00 53.44 53.79 3k2y n ALA 49 Cb 0.81 -2.41 -0.17 0.00 0.00 0.00 0.00 19.45 17.68 3k2y n ALA 49 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k2y s ILE 50 N 2.67 0.86 0.16 0.00 1.01 -1.26 -1.91 121.20 122.73 3k2y s ILE 50 Ca 0.87 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 61.27 3k2y s ILE 50 Cb -0.71 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 3k2y s ILE 50 CO 0.47 0.30 0.11 -0.94 0.00 0.00 0.00 174.94 174.87 3k2y s SER 51 N 0.86 5.40 -0.09 3.58 1.04 0.01 -1.00 113.70 123.49 3k2y s SER 51 Ca -0.12 -0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.14 3k2y s SER 51 Cb -0.15 -1.38 -0.03 0.00 0.10 0.00 0.00 66.02 64.56 3k2y s SER 51 CO 0.01 0.08 -0.04 -0.69 0.98 0.00 0.00 173.24 173.59 3k2y s VAL 52 N -1.70 3.97 0.07 5.02 1.01 0.18 -1.82 120.40 127.13 3k2y s VAL 52 Ca 0.30 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.94 3k2y s VAL 52 Cb -0.10 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3k2y s VAL 52 CO 0.22 0.58 -0.08 0.26 0.00 0.00 0.00 175.10 176.08 3k2y s TRP 53 N -0.56 0.86 0.88 5.22 0.52 0.47 -1.03 118.94 125.31 3k2y s TRP 53 Ca 0.09 -0.66 -0.14 0.00 0.02 0.00 0.00 56.10 55.41 3k2y s TRP 53 Cb -0.12 -0.50 0.13 0.00 -1.15 0.00 0.00 33.47 31.84 3k2y s TRP 53 CO 0.02 -0.07 1.22 0.95 0.02 0.00 0.00 176.95 179.08 3k2y s THR 54 N -2.31 1.99 0.36 2.01 -4.23 -0.89 0.15 115.64 112.72 3k2y s THR 54 Ca 0.01 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.81 3k2y s THR 54 Cb -0.04 -2.95 0.31 0.00 1.34 0.00 0.00 72.50 71.16 3k2y s THR 54 CO -0.01 0.00 2.05 -0.07 -0.54 0.00 0.00 174.62 176.05 3k2y h LEU 55 N -1.35 0.00 -1.58 4.79 3.38 -1.92 -1.48 115.31 117.14 3k2y h LEU 55 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3k2y h LEU 55 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3k2y h LEU 55 CO 0.56 0.12 0.00 0.00 0.09 0.00 0.00 178.44 179.20 3k2y n GLN 56 N -3.50 2.00 -2.99 1.13 3.00 -1.26 -4.94 117.38 110.81 3k2y n GLN 56 Ca -0.01 -1.55 -0.12 0.00 -0.01 0.00 0.00 57.00 55.31 3k2y n GLN 56 Cb 0.26 -1.35 0.06 0.00 0.00 0.00 0.00 30.24 29.22 3k2y n GLN 56 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 3k2y n HIS 57 N 0.76 -1.68 -4.03 1.08 -0.00 -0.56 -5.03 115.22 105.76 3k2y n HIS 57 Ca 0.15 0.68 -0.34 0.00 0.46 0.00 0.00 57.72 58.66 3k2y n HIS 57 Cb 0.37 -4.14 -0.14 0.00 -0.12 0.00 0.00 29.99 25.96 3k2y n HIS 57 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3k2y s ALA 58 N -3.27 2.72 0.21 1.57 0.00 -1.26 -4.88 121.76 116.85 3k2y s ALA 58 Ca 0.09 -1.14 -0.31 0.00 0.00 0.00 0.00 51.96 50.60 3k2y s ALA 58 Cb -0.01 -1.57 -0.11 0.00 0.00 0.00 0.00 23.12 21.43 3k2y s ALA 58 CO 0.54 -0.34 1.61 0.21 0.00 0.00 0.00 175.76 177.78 3k2y s LYS 59 N 1.32 4.18 -0.18 0.00 2.20 -1.26 -2.09 119.74 123.91 3k2y s LYS 59 Ca 0.04 2.47 0.03 0.00 -0.36 0.00 0.00 55.97 58.15 3k2y s LYS 59 Cb -0.14 -3.10 -0.13 0.00 -1.51 0.00 0.00 37.83 32.95 3k2y s LYS 59 CO -0.04 -0.64 -0.13 1.28 -0.36 0.00 0.00 175.35 175.46 3k2y n LEU 60 N 3.51 2.59 0.00 5.43 4.77 -0.20 -4.82 117.00 128.28 3k2y n LEU 60 Ca 0.13 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3k2y n LEU 60 Cb 0.37 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3k2y n LEU 60 CO 0.63 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 178.04 3k2y n GLY 61 N 2.57 -0.22 3.41 -0.72 0.00 -1.21 -4.10 105.19 104.93 3k2y n GLY 61 Ca -0.31 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.35 3k2y n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k2y s TYR 62 N -3.42 2.08 0.14 1.61 1.51 -0.36 0.50 117.35 119.41 3k2y s TYR 62 Ca 0.00 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 3k2y s TYR 62 Cb 0.00 -0.94 -0.07 0.00 -0.11 0.00 0.00 41.96 40.84 3k2y s TYR 62 CO 0.00 0.55 0.97 0.42 -1.11 0.00 0.00 175.55 176.38 3k2y s ILE 63 N -2.49 4.37 0.23 2.71 1.01 -0.17 -0.48 121.20 126.39 3k2y s ILE 63 Ca 0.25 2.04 -0.30 0.00 0.00 0.00 0.00 60.65 62.64 3k2y s ILE 63 Cb -0.04 -4.30 -0.15 0.00 0.01 0.00 0.00 42.46 37.98 3k2y s ILE 63 CO 0.11 0.35 1.13 0.00 0.00 0.00 0.00 174.94 176.52 3k2y n ALA 64 N 2.52 -0.27 -0.30 9.38 0.00 -0.37 -4.72 120.51 126.74 3k2y n ALA 64 Ca 0.02 0.42 0.03 0.00 0.00 0.00 0.00 53.44 53.91 3k2y n ALA 64 Cb 0.49 -2.06 0.23 0.00 0.00 0.00 0.00 19.45 18.10 3k2y n ALA 64 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3k2y h ARG 65 N 2.85 1.04 -0.32 0.00 2.43 -1.93 -2.45 114.38 116.00 3k2y h ARG 65 Ca -0.42 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3k2y h ARG 65 Cb 1.33 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3k2y h ARG 65 CO 0.66 0.69 0.00 2.48 -1.51 0.00 0.00 179.97 182.29 3k2y n TYR 66 N -4.46 0.00 -1.83 2.20 0.18 -1.26 -3.05 117.16 108.93 3k2y n TYR 66 Ca 0.13 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.91 3k2y n TYR 66 Cb 0.15 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.07 3k2y n TYR 66 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3k2y n GLN 67 N -0.03 0.00 0.00 -3.48 10.64 -0.95 -4.98 117.38 118.59 3k2y n GLN 67 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 3k2y n GLN 67 Cb 0.08 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.35 3k2y n GLN 67 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 3k2y n ASN 68 N 0.00 0.63 -0.12 2.61 0.23 -1.02 -4.51 115.26 113.08 3k2y n ASN 68 Ca 0.00 0.28 -0.07 0.00 -0.53 0.00 0.00 54.58 54.26 3k2y n ASN 68 Cb 0.45 0.47 -0.00 0.00 -2.08 0.00 0.00 39.78 38.62 3k2y n ASN 68 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 3k2y h GLN 69 N 0.00 -0.20 -0.37 -3.83 -0.00 -1.83 0.38 115.11 109.26 3k2y h GLN 69 Ca -0.22 0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.51 3k2y h GLN 69 Cb 1.66 0.05 -0.06 0.00 0.00 0.00 0.00 27.48 29.12 3k2y h GLN 69 CO 0.04 -0.13 -0.02 -1.35 0.00 0.00 0.00 178.83 177.36 3k2y h PRO 70 N -0.21 0.07 0.00 -2.39 0.11 -1.98 -1.73 132.00 125.88 3k2y h PRO 70 Ca 0.19 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.20 3k2y h PRO 70 Cb 0.51 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3k2y h PRO 70 CO -0.53 0.05 -0.45 1.88 -0.21 0.00 0.00 178.00 178.74 3k2y h TYR 71 N 0.07 0.00 -0.29 0.65 0.05 -1.65 -2.93 116.97 112.87 3k2y h TYR 71 Ca 0.18 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.83 3k2y h TYR 71 Cb 0.26 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 3k2y h TYR 71 CO -0.28 0.45 -0.37 0.00 -1.05 0.00 0.00 178.16 176.91 3k2y h ALA 72 N 1.55 0.81 -0.36 3.88 0.00 0.40 -2.40 119.26 123.13 3k2y h ALA 72 Ca -0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 3k2y h ALA 72 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3k2y h ALA 72 CO 0.06 0.65 -0.27 1.15 0.00 0.00 0.00 179.25 180.83 3k2y h THR 73 N 0.55 1.28 -0.05 0.00 2.02 -1.23 -2.57 112.91 112.91 3k2y h THR 73 Ca 0.05 -1.43 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 3k2y h THR 73 Cb 0.89 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 3k2y h THR 73 CO 0.08 0.47 0.03 -0.07 0.37 0.00 0.00 175.52 176.40 3k2y h LEU 74 N 0.62 0.07 -0.85 2.58 3.38 -1.46 -2.63 115.31 117.02 3k2y h LEU 74 Ca 0.07 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3k2y h LEU 74 Cb 0.84 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 3k2y h LEU 74 CO 0.07 0.15 0.54 0.24 0.09 0.00 0.00 178.44 179.53 3k2y h MET 75 N -0.02 0.99 0.00 1.13 2.86 -1.44 -0.67 114.93 117.79 3k2y h MET 75 Ca 0.02 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3k2y h MET 75 Cb 0.10 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.53 3k2y h MET 75 CO -0.00 0.66 0.00 -0.44 1.06 0.00 0.00 176.91 178.18 3k2y h ASP 76 N 1.02 0.00 -0.14 1.22 3.32 -1.29 -0.79 116.42 119.77 3k2y h ASP 76 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3k2y h ASP 76 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3k2y h ASP 76 CO -0.14 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.38 3k2y n GLN 77 N -2.94 1.54 0.00 3.56 6.02 -0.28 -4.89 117.38 120.38 3k2y n GLN 77 Ca -0.01 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.17 3k2y n GLN 77 Cb 0.19 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.12 3k2y n GLN 77 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k2y n GLY 78 N 1.01 1.18 3.76 1.08 0.00 -0.30 -5.05 105.19 106.88 3k2y n GLY 78 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3k2y n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k2y s GLN 79 N -0.78 4.22 -0.26 1.61 -0.21 -1.07 -4.99 119.66 118.17 3k2y s GLN 79 Ca 0.00 2.40 -0.13 0.00 0.02 0.00 0.00 55.36 57.65 3k2y s GLN 79 Cb 0.00 -3.05 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 3k2y s GLN 79 CO 0.00 -0.44 0.30 1.03 -2.12 0.00 0.00 175.29 174.06 3k2y s ARG 80 N -1.05 4.02 0.26 2.91 0.52 -1.26 -4.21 118.95 120.14 3k2y s ARG 80 Ca 0.57 -0.08 0.12 0.00 -0.52 0.00 0.00 55.73 55.81 3k2y s ARG 80 Cb -0.44 -3.63 -0.05 0.00 0.52 0.00 0.00 34.95 31.35 3k2y s ARG 80 CO 0.50 -0.19 -0.21 -0.51 0.02 0.00 0.00 175.30 174.92 3k2y s LEU 81 N 1.80 2.55 0.38 2.53 1.43 -1.26 -1.16 118.68 124.95 3k2y s LEU 81 Ca 0.12 -0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 52.13 3k2y s LEU 81 Cb -0.15 -1.09 0.04 0.00 0.03 0.00 0.00 46.19 45.01 3k2y s LEU 81 CO 0.09 0.05 0.67 -0.72 0.23 0.00 0.00 176.35 176.67 3k2y s TYR 82 N -2.34 0.54 0.08 0.29 1.13 -0.64 -4.35 117.35 112.06 3k2y s TYR 82 Ca 0.27 -1.03 0.01 0.00 -1.41 0.00 0.00 57.07 54.91 3k2y s TYR 82 Cb -0.05 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 3k2y s TYR 82 CO 0.13 -1.41 -0.06 0.20 -2.51 0.00 0.00 175.55 171.90 3k2y s GLY 83 N -3.15 0.67 -0.16 5.49 0.00 -0.30 -1.45 107.32 108.42 3k2y s GLY 83 Ca 0.22 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.70 3k2y s GLY 83 CO 0.16 -1.34 -0.14 -0.42 0.00 0.00 0.00 173.10 171.35 3k2y s ILE 84 N -3.38 1.63 0.12 0.90 -1.09 -1.17 0.23 121.20 118.43 3k2y s ILE 84 Ca 0.08 -0.70 -0.33 0.00 -2.23 0.00 0.00 60.65 57.46 3k2y s ILE 84 Cb 0.04 -1.54 -0.13 0.00 -1.58 0.00 0.00 42.46 39.25 3k2y s ILE 84 CO -0.05 0.44 1.70 0.52 -1.23 0.00 0.00 174.94 176.31 3k2y n VAL 85 N 4.75 0.17 -0.09 2.92 0.31 0.18 -2.44 118.33 124.12 3k2y n VAL 85 Ca -0.17 -0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 63.98 3k2y n VAL 85 Cb 0.50 -1.76 -0.05 0.00 -0.91 0.00 0.00 33.84 31.62 3k2y n VAL 85 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3k2y n THR 86 N 4.01 1.37 -5.21 2.52 -1.04 -0.06 -0.15 114.28 115.72 3k2y n THR 86 Ca 0.18 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.05 61.86 3k2y n THR 86 Cb 0.31 -2.05 -0.16 0.00 -1.82 0.00 0.00 70.33 66.62 3k2y n THR 86 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3k2y s VAL 87 N -2.61 1.95 -0.29 12.58 1.01 -1.17 -4.71 120.40 127.17 3k2y s VAL 87 Ca -0.27 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.66 3k2y s VAL 87 Cb 0.07 -1.62 0.17 0.00 0.00 0.00 0.00 36.38 35.00 3k2y s VAL 87 CO 0.37 0.54 0.48 -0.22 0.00 0.00 0.00 175.10 176.28 3k2y s LEU 88 N -0.62 -1.12 -0.62 3.92 2.96 -1.26 -1.87 118.68 120.06 3k2y s LEU 88 Ca 0.10 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3k2y s LEU 88 Cb -0.10 1.51 0.16 0.00 0.50 0.00 0.00 46.19 48.27 3k2y s LEU 88 CO -0.01 -0.32 0.43 -1.81 -1.32 0.00 0.00 176.35 173.32 3k2y s ASP 89 N 2.67 5.20 0.56 3.68 1.01 -0.99 -4.92 116.67 123.86 3k2y s ASP 89 Ca 0.11 -2.87 0.36 0.00 0.71 0.00 0.00 52.55 50.86 3k2y s ASP 89 Cb -0.12 -1.84 1.51 0.00 1.01 0.00 0.00 42.92 43.48 3k2y s ASP 89 CO -0.27 -0.36 1.76 1.56 0.21 0.00 0.00 175.17 178.07 3k2y h GLN 90 N 7.00 0.00 0.01 8.23 4.20 -1.93 0.17 115.11 132.79 3k2y h GLN 90 Ca -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3k2y h GLN 90 Cb 0.95 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 3k2y h GLN 90 CO 0.71 0.00 -0.01 -0.56 -0.67 0.00 0.00 178.83 178.31 3k2y h GLN 91 N 0.00 -0.01 -0.18 1.46 3.07 -1.96 -3.09 115.11 114.39 3k2y h GLN 91 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.28 3k2y h GLN 91 Cb 2.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.86 3k2y h GLN 91 CO -0.01 -0.01 0.00 1.17 0.09 0.00 0.00 178.83 180.08 3k2y n LYS 92 N -2.33 1.73 -3.65 0.06 4.81 -0.91 -4.94 118.16 112.93 3k2y n LYS 92 Ca -0.00 -1.10 -0.22 0.00 -0.87 0.00 0.00 58.31 56.12 3k2y n LYS 92 Cb 0.01 -1.38 0.04 0.00 0.02 0.00 0.00 35.03 33.71 3k2y n LYS 92 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3k2y n GLN 93 N 0.33 -4.39 -4.16 1.64 6.02 0.56 -4.99 117.38 112.39 3k2y n GLN 93 Ca 0.16 0.63 -0.34 0.00 -0.01 0.00 0.00 57.00 57.44 3k2y n GLN 93 Cb 0.32 -5.15 -0.08 0.00 1.02 0.00 0.00 30.24 26.35 3k2y n GLN 93 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3k2y s HIS 94 N -3.61 3.27 -0.11 1.08 2.46 -1.15 -4.80 115.29 112.42 3k2y s HIS 94 Ca 0.09 0.23 -0.09 0.00 0.47 0.00 0.00 55.06 55.76 3k2y s HIS 94 Cb -0.02 -1.77 0.04 0.00 -0.13 0.00 0.00 32.58 30.69 3k2y s HIS 94 CO 0.81 0.54 0.28 -1.17 -2.47 0.00 0.00 174.74 172.74 3k2y s LEU 95 N -1.41 0.70 0.09 8.88 0.20 -1.26 -2.36 118.68 123.52 3k2y s LEU 95 Ca 0.19 0.59 0.04 0.00 0.69 0.00 0.00 54.13 55.64 3k2y s LEU 95 Cb -0.12 0.94 -0.03 0.00 -0.43 0.00 0.00 46.19 46.55 3k2y s LEU 95 CO 0.09 -0.12 -0.11 -1.61 -0.29 0.00 0.00 176.35 174.31 3k2y s GLU 96 N 0.54 0.82 0.13 1.98 2.02 -0.78 -0.98 118.70 122.43 3k2y s GLU 96 Ca -0.03 -1.08 -0.03 0.00 0.02 0.00 0.00 54.97 53.85 3k2y s GLU 96 Cb -0.05 -0.58 -0.03 0.00 0.10 0.00 0.00 34.13 33.57 3k2y s GLU 96 CO -0.03 0.10 0.10 -0.51 0.02 0.00 0.00 175.26 174.94 3k2y s LEU 97 N -2.23 1.65 -0.31 1.80 1.43 -0.64 -0.89 118.68 119.49 3k2y s LEU 97 Ca 0.03 -1.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.04 3k2y s LEU 97 Cb -0.05 0.48 0.08 0.00 0.03 0.00 0.00 46.19 46.74 3k2y s LEU 97 CO 0.01 -0.75 -0.00 -0.32 0.23 0.00 0.00 176.35 175.51 3k2y s MET 98 N -4.02 1.86 0.44 1.70 -2.45 -1.02 -1.79 119.30 114.01 3k2y s MET 98 Ca 0.21 -1.64 -0.24 0.00 -1.25 0.00 0.00 55.69 52.78 3k2y s MET 98 Cb 0.07 -3.12 -0.08 0.00 1.25 0.00 0.00 34.83 32.95 3k2y s MET 98 CO 0.00 -0.79 1.17 -0.51 1.05 0.00 0.00 175.02 175.94 3k2y s LEU 99 N 1.01 4.08 0.04 4.11 1.43 0.08 -3.07 118.68 126.37 3k2y s LEU 99 Ca 0.02 2.32 0.04 0.00 -1.03 0.00 0.00 54.13 55.48 3k2y s LEU 99 Cb -0.20 -4.16 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 3k2y s LEU 99 CO -0.06 -0.82 -0.11 0.26 0.23 0.00 0.00 176.35 175.85 3k2y s TRP 100 N -1.50 0.94 -0.15 0.29 0.52 -0.53 -0.36 118.94 118.15 3k2y s TRP 100 Ca 0.61 -0.39 -0.04 0.00 0.02 0.00 0.00 56.10 56.30 3k2y s TRP 100 Cb -0.29 -0.56 -0.03 0.00 -1.15 0.00 0.00 33.47 31.44 3k2y s TRP 100 CO 0.36 -0.01 -0.02 0.50 0.02 0.00 0.00 176.95 177.81 3k2y s ARG 101 N -1.29 3.65 -0.19 4.98 3.52 0.29 -1.62 118.95 128.29 3k2y s ARG 101 Ca -0.03 -0.48 -0.07 0.00 -0.13 0.00 0.00 55.73 55.01 3k2y s ARG 101 Cb -0.08 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 3k2y s ARG 101 CO 0.01 0.30 0.07 -1.17 -0.81 0.00 0.00 175.30 173.69 3k2y s LEU 102 N 0.22 3.76 0.00 -0.88 2.96 -0.31 -1.14 118.68 123.30 3k2y s LEU 102 Ca -0.01 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3k2y s LEU 102 Cb -0.14 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.59 3k2y s LEU 102 CO 0.02 0.14 0.00 -1.84 -1.32 0.00 0.00 176.35 173.35