#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cew n ALA 10 N 0.00 0.00 -2.14 4.61 0.00 -1.26 -5.11 120.51 116.60 1cew n ALA 10 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1cew n ALA 10 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1cew n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1cew s PRO 11 N -2.00 4.66 0.06 0.00 0.05 -1.26 -4.85 135.00 131.66 1cew s PRO 11 Ca 0.00 1.58 0.04 0.00 0.05 0.00 0.00 61.00 62.67 1cew s PRO 11 Cb 0.00 -3.33 -0.03 0.00 0.05 0.00 0.00 34.50 31.20 1cew s PRO 11 CO 0.00 0.16 -0.12 0.54 0.05 0.00 0.00 177.00 177.64 1cew s VAL 12 N -0.17 0.90 0.58 -0.36 0.11 -0.24 -4.90 120.40 116.32 1cew s VAL 12 Ca 0.48 -1.22 -0.18 0.00 -2.93 0.00 0.00 61.98 58.13 1cew s VAL 12 Cb -0.26 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1cew s VAL 12 CO 0.32 -0.28 1.13 -2.84 -3.33 0.00 0.00 175.10 170.11 1cew s PRO 13 N -1.67 3.16 -0.05 1.54 0.02 -1.26 0.32 135.00 137.06 1cew s PRO 13 Ca -0.05 1.59 0.05 0.00 0.02 0.00 0.00 61.00 62.61 1cew s PRO 13 Cb -0.10 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 1cew s PRO 13 CO 0.02 -1.00 -0.20 0.08 -0.33 0.00 0.00 177.00 175.57 1cew s VAL 14 N -1.89 2.54 0.33 3.83 1.01 -1.23 -4.72 120.40 120.28 1cew s VAL 14 Ca 0.72 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 1cew s VAL 14 Cb -0.24 -1.95 -0.10 0.00 0.00 0.00 0.00 36.38 34.09 1cew s VAL 14 CO 0.31 0.58 0.84 -0.62 0.00 0.00 0.00 175.10 176.21 1cew s ASP 15 N -0.52 7.01 0.25 3.32 -1.08 -1.26 -4.77 116.67 119.62 1cew s ASP 15 Ca 0.07 1.55 0.13 0.00 -0.52 0.00 0.00 52.55 53.78 1cew s ASP 15 Cb -0.11 -2.48 0.73 0.00 -1.46 0.00 0.00 42.92 39.60 1cew s ASP 15 CO 0.01 -0.17 1.34 -0.62 0.52 0.00 0.00 175.17 176.25 1cew n GLU 16 N -0.00 0.09 -0.12 4.34 -0.58 -1.26 -1.31 120.64 121.79 1cew n GLU 16 Ca 0.03 0.56 0.12 0.00 -0.42 0.00 0.00 57.16 57.44 1cew n GLU 16 Cb 0.52 -1.94 0.22 0.00 -0.57 0.00 0.00 31.44 29.67 1cew n GLU 16 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1cew n ASN 17 N -1.98 3.06 -4.81 1.62 4.13 -1.26 -4.82 115.26 111.19 1cew n ASN 17 Ca -0.01 -1.94 -0.34 0.00 1.68 0.00 0.00 54.58 53.97 1cew n ASN 17 Cb 0.17 -0.16 -0.05 0.00 -1.54 0.00 0.00 39.78 38.20 1cew n ASN 17 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1cew s ASP 18 N -1.64 6.58 0.05 6.41 2.15 -0.43 -4.97 116.67 124.82 1cew s ASP 18 Ca 0.35 1.82 0.22 0.00 0.43 0.00 0.00 52.55 55.38 1cew s ASP 18 Cb 0.21 -2.55 -0.06 0.00 -0.30 0.00 0.00 42.92 40.22 1cew s ASP 18 CO 0.31 -0.61 0.90 -1.84 -0.17 0.00 0.00 175.17 173.76 1cew n GLU 19 N -0.87 0.38 -0.00 4.34 0.28 -1.26 -2.44 120.64 121.07 1cew n GLU 19 Ca 0.08 -0.03 -0.18 0.00 -0.16 0.00 0.00 57.16 56.88 1cew n GLU 19 Cb 0.53 -1.60 -0.09 0.00 1.43 0.00 0.00 31.44 31.71 1cew n GLU 19 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1cew h GLY 20 N 4.39 0.65 0.88 -1.84 0.00 -1.96 -3.01 103.07 102.18 1cew h GLY 20 Ca 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.29 1cew h GLY 20 CO 0.00 0.91 -0.06 -2.00 0.00 0.00 0.00 176.54 175.40 1cew h LEU 21 N 0.20 -0.14 -2.40 3.11 5.85 -1.92 -1.09 115.31 118.93 1cew h LEU 21 Ca -0.07 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1cew h LEU 21 Cb 1.38 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1cew h LEU 21 CO 0.14 0.02 0.17 1.56 -0.34 0.00 0.00 178.44 179.99 1cew h GLN 22 N -0.29 0.00 0.01 1.25 4.20 -1.55 0.43 115.11 119.17 1cew h GLN 22 Ca -0.02 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.41 1cew h GLN 22 Cb 0.23 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 1cew h GLN 22 CO 0.03 0.00 -1.65 -0.09 -0.67 0.00 0.00 178.83 176.45 1cew h ARG 23 N 0.00 0.02 0.07 1.46 2.43 -1.32 -2.97 114.38 114.06 1cew h ARG 23 Ca 0.04 -0.03 -0.28 0.00 -0.81 0.00 0.00 59.98 58.90 1cew h ARG 23 Cb 0.38 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1cew h ARG 23 CO -0.00 0.58 -1.14 0.00 -1.51 0.00 0.00 179.97 177.90 1cew h ALA 24 N 0.95 0.10 0.02 2.80 0.00 0.99 -2.67 119.26 121.45 1cew h ALA 24 Ca -0.26 -0.75 -0.21 0.00 0.00 0.00 0.00 54.91 53.69 1cew h ALA 24 Cb 1.99 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 1cew h ALA 24 CO 0.09 0.72 -0.93 1.25 0.00 0.00 0.00 179.25 180.38 1cew h LEU 25 N 0.30 0.26 -0.32 0.00 5.85 -0.72 -2.08 115.31 118.59 1cew h LEU 25 Ca -0.15 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1cew h LEU 25 Cb 1.80 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.75 1cew h LEU 25 CO 0.22 1.05 0.00 -0.61 -0.34 0.00 0.00 178.44 178.76 1cew h GLN 26 N 0.10 0.00 0.14 1.25 4.15 -1.54 -2.96 115.11 116.25 1cew h GLN 26 Ca -0.05 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.01 1cew h GLN 26 Cb 1.59 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.27 1cew h GLN 26 CO 0.14 0.00 -1.91 0.35 -1.93 0.00 0.00 178.83 175.48 1cew h PHE 27 N 0.00 0.55 -0.57 3.99 3.57 -1.15 -3.32 116.94 120.01 1cew h PHE 27 Ca 0.00 -0.40 0.08 0.00 3.53 0.00 0.00 57.97 61.17 1cew h PHE 27 Cb 0.64 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 1cew h PHE 27 CO 0.00 1.74 0.23 0.00 -2.23 0.00 0.00 178.31 178.05 1cew h ALA 28 N 0.11 0.73 0.00 2.41 0.00 -1.43 -2.72 119.26 118.36 1cew h ALA 28 Ca -0.40 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1cew h ALA 28 Cb 2.06 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.85 1cew h ALA 28 CO 0.12 -0.16 -0.54 0.52 0.00 0.00 0.00 179.25 179.19 1cew h MET 29 N 0.43 0.00 0.01 0.00 2.86 -1.65 -0.56 114.93 116.03 1cew h MET 29 Ca 0.28 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.66 1cew h MET 29 Cb 0.30 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1cew h MET 29 CO -0.26 0.54 -1.35 0.00 1.06 0.00 0.00 176.91 176.91 1cew h ALA 30 N 1.46 0.51 0.00 6.32 0.00 -1.60 -1.70 119.26 124.26 1cew h ALA 30 Ca -0.01 -1.16 -0.07 0.00 0.00 0.00 0.00 54.91 53.68 1cew h ALA 30 Cb 1.18 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1cew h ALA 30 CO 0.07 1.37 -0.31 1.49 0.00 0.00 0.00 179.25 181.87 1cew h GLU 31 N 0.01 0.00 0.06 0.00 4.57 -1.49 -2.20 114.58 115.53 1cew h GLU 31 Ca -0.15 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.92 1cew h GLU 31 Cb 1.90 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.50 1cew h GLU 31 CO 0.11 0.31 -0.47 -0.92 -1.18 0.00 0.00 179.01 176.87 1cew h TYR 32 N 0.00 0.35 -0.87 0.92 3.20 -0.88 -3.22 116.97 116.48 1cew h TYR 32 Ca -0.00 -0.24 0.24 0.00 3.14 0.00 0.00 58.73 61.87 1cew h TYR 32 Cb 1.09 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.29 1cew h TYR 32 CO 0.00 1.14 0.61 -0.91 -1.64 0.00 0.00 178.16 177.36 1cew h ASN 33 N -0.53 0.09 0.59 -2.11 2.35 -1.22 0.20 115.58 114.95 1cew h ASN 33 Ca -0.08 0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.48 1cew h ASN 33 Cb 1.32 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 1cew h ASN 33 CO 0.09 0.04 -0.92 0.03 -1.65 0.00 0.00 177.43 175.02 1cew h ARG 34 N 0.09 0.21 0.00 0.81 3.08 -1.54 -3.30 114.38 113.73 1cew h ARG 34 Ca 0.42 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 1cew h ARG 34 Cb 1.53 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.64 1cew h ARG 34 CO -0.05 0.99 -0.45 0.00 -1.07 0.00 0.00 179.97 179.38 1cew h ALA 35 N 0.93 0.76 -2.76 0.04 0.00 -0.63 -3.44 119.26 114.16 1cew h ALA 35 Ca -0.05 -0.41 -0.49 0.00 0.00 0.00 0.00 54.91 53.95 1cew h ALA 35 Cb 1.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1cew h ALA 35 CO 0.14 0.57 0.38 -1.54 0.00 0.00 0.00 179.25 178.80 1cew s SER 36 N -6.43 7.55 -0.74 0.00 1.04 -0.99 -4.97 113.70 109.16 1cew s SER 36 Ca 0.03 2.03 -0.01 0.00 0.48 0.00 0.00 55.95 58.49 1cew s SER 36 Cb 0.08 -2.61 0.38 0.00 0.10 0.00 0.00 66.02 63.97 1cew s SER 36 CO 0.72 0.08 1.85 -0.46 0.98 0.00 0.00 173.24 176.41 1cew n ASN 37 N 1.44 6.99 -4.53 7.02 6.94 -1.26 -4.94 115.26 126.92 1cew n ASN 37 Ca -0.02 -3.81 -0.22 0.00 -0.02 0.00 0.00 54.58 50.51 1cew n ASN 37 Cb 0.46 -0.93 0.01 0.00 -2.36 0.00 0.00 39.78 36.97 1cew n ASN 37 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1cew n ASP 38 N -0.58 2.42 -0.00 0.53 2.03 -1.26 -5.03 116.55 114.66 1cew n ASP 38 Ca 0.52 -2.61 0.05 0.00 0.52 0.00 0.00 54.79 53.27 1cew n ASP 38 Cb 0.37 -0.10 -0.08 0.00 -0.72 0.00 0.00 41.12 40.59 1cew n ASP 38 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1cew n LYS 39 N -1.73 1.09 -3.99 -0.67 2.85 -1.26 -4.96 118.16 109.48 1cew n LYS 39 Ca 0.01 -0.07 -0.26 0.00 -1.05 0.00 0.00 58.31 56.94 1cew n LYS 39 Cb 0.55 -1.18 -0.04 0.00 -0.65 0.00 0.00 35.03 33.71 1cew n LYS 39 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1cew s TYR 40 N -2.54 3.37 0.70 5.58 2.02 -1.26 -2.28 117.35 122.93 1cew s TYR 40 Ca -0.02 0.06 -0.17 0.00 -0.37 0.00 0.00 57.07 56.58 1cew s TYR 40 Cb 0.07 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1cew s TYR 40 CO 0.43 0.51 1.24 0.43 -1.57 0.00 0.00 175.55 176.59 1cew n SER 41 N -0.55 1.65 -4.41 2.29 7.64 -0.08 -4.84 113.62 115.33 1cew n SER 41 Ca -0.07 0.75 -0.30 0.00 1.01 0.00 0.00 58.87 60.26 1cew n SER 41 Cb 0.54 -1.53 -0.13 0.00 -1.01 0.00 0.00 64.21 62.08 1cew n SER 41 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1cew s SER 42 N -1.59 3.47 0.21 6.43 0.01 -1.26 -1.01 113.70 119.96 1cew s SER 42 Ca 0.80 -0.61 0.08 0.00 1.31 0.00 0.00 55.95 57.53 1cew s SER 42 Cb -0.36 -0.37 -0.05 0.00 0.21 0.00 0.00 66.02 65.45 1cew s SER 42 CO 0.44 0.22 -0.15 -0.13 0.41 0.00 0.00 173.24 174.02 1cew s ARG 43 N -1.72 1.36 0.08 12.44 0.52 -0.91 -4.95 118.95 125.77 1cew s ARG 43 Ca 0.14 -1.59 -0.28 0.00 -0.52 0.00 0.00 55.73 53.48 1cew s ARG 43 Cb -0.10 -1.20 -0.05 0.00 0.52 0.00 0.00 34.95 34.11 1cew s ARG 43 CO 0.05 0.21 0.89 0.08 0.02 0.00 0.00 175.30 176.55 1cew s VAL 44 N -2.85 4.61 -0.42 3.52 1.01 -1.26 -0.07 120.40 124.93 1cew s VAL 44 Ca 0.23 1.90 0.09 0.00 0.00 0.00 0.00 61.98 64.20 1cew s VAL 44 Cb -0.02 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 1cew s VAL 44 CO 0.08 0.32 0.39 0.52 0.00 0.00 0.00 175.10 176.41 1cew n VAL 45 N 2.87 0.00 -3.65 2.92 0.31 0.15 -4.87 118.33 116.06 1cew n VAL 45 Ca 0.01 -0.28 -0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1cew n VAL 45 Cb 0.50 0.98 -0.07 0.00 -0.91 0.00 0.00 33.84 34.34 1cew n VAL 45 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1cew s ARG 46 N -1.89 0.00 -0.11 5.55 3.52 -1.20 -4.99 118.95 119.83 1cew s ARG 46 Ca 0.03 0.00 -0.19 0.00 -0.13 0.00 0.00 55.73 55.45 1cew s ARG 46 Cb 0.07 0.00 -0.04 0.00 -1.56 0.00 0.00 34.95 33.42 1cew s ARG 46 CO 0.38 -0.00 0.51 0.08 -0.81 0.00 0.00 175.30 175.46 1cew s VAL 47 N 0.33 5.16 -0.10 7.11 1.01 -1.26 -1.72 120.40 130.92 1cew s VAL 47 Ca 0.03 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.02 1cew s VAL 47 Cb -0.04 -3.85 -0.25 0.00 0.00 0.00 0.00 36.38 32.24 1cew s VAL 47 CO -0.14 0.32 0.42 -0.38 0.00 0.00 0.00 175.10 175.32 1cew n ILE 48 N 3.64 1.73 -3.69 2.22 5.41 0.48 -4.94 119.36 124.21 1cew n ILE 48 Ca -0.06 -0.69 -0.15 0.00 1.00 0.00 0.00 62.75 62.85 1cew n ILE 48 Cb 0.52 -1.53 -0.08 0.00 -0.71 0.00 0.00 39.64 37.84 1cew n ILE 48 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1cew s SER 49 N -6.76 -0.35 -0.08 4.38 1.04 -1.25 -5.00 113.70 105.68 1cew s SER 49 Ca -0.18 0.35 -0.00 0.00 0.48 0.00 0.00 55.95 56.60 1cew s SER 49 Cb 0.07 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1cew s SER 49 CO 0.78 -0.46 -0.04 0.00 0.98 0.00 0.00 173.24 174.50 1cew s ALA 50 N -1.11 0.95 0.15 5.32 0.00 -1.26 -0.43 121.76 125.39 1cew s ALA 50 Ca -0.11 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 51.64 1cew s ALA 50 Cb -0.04 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1cew s ALA 50 CO 0.05 -0.35 -0.18 0.15 0.00 0.00 0.00 175.76 175.44 1cew s LYS 51 N 1.66 1.23 0.14 0.00 1.02 -0.65 -3.55 119.74 119.58 1cew s LYS 51 Ca 0.02 -1.37 0.05 0.00 0.02 0.00 0.00 55.97 54.69 1cew s LYS 51 Cb -0.13 -1.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.88 1cew s LYS 51 CO -0.05 0.26 -0.11 -0.98 -0.92 0.00 0.00 175.35 173.55 1cew s ARG 52 N -2.74 1.05 -0.01 1.68 1.70 0.15 -1.72 118.95 119.05 1cew s ARG 52 Ca 0.14 -1.40 -0.12 0.00 -0.47 0.00 0.00 55.73 53.88 1cew s ARG 52 Cb -0.06 -0.68 0.02 0.00 -0.57 0.00 0.00 34.95 33.66 1cew s ARG 52 CO 0.06 0.10 0.26 1.14 -1.08 0.00 0.00 175.30 175.77 1cew s GLN 53 N -3.48 0.59 -0.45 3.89 -2.07 -0.44 -1.08 119.66 116.62 1cew s GLN 53 Ca 0.15 -0.22 -0.13 0.00 -1.82 0.00 0.00 55.36 53.33 1cew s GLN 53 Cb 0.01 0.26 0.07 0.00 -1.09 0.00 0.00 33.01 32.26 1cew s GLN 53 CO 0.01 -0.16 0.35 -1.17 -1.32 0.00 0.00 175.29 173.01 1cew s LEU 54 N -1.27 5.47 -0.02 2.60 1.98 -1.26 -0.27 118.68 125.92 1cew s LEU 54 Ca -0.13 -1.38 0.08 0.00 -2.89 0.00 0.00 54.13 49.82 1cew s LEU 54 Cb -0.06 -2.12 -0.13 0.00 0.66 0.00 0.00 46.19 44.54 1cew s LEU 54 CO 0.03 -0.61 0.18 1.33 -1.89 0.00 0.00 176.35 175.39 1cew n VAL 55 N 5.11 0.04 0.03 1.68 0.24 -1.26 -4.93 118.33 119.23 1cew n VAL 55 Ca -0.12 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1cew n VAL 55 Cb 0.43 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 1cew n VAL 55 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1cew n SER 56 N -1.83 -0.45 -1.99 -1.34 3.41 -1.26 -5.08 113.62 105.08 1cew n SER 56 Ca -0.02 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1cew n SER 56 Cb 0.26 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 1cew n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cew n GLY 57 N -1.08 0.15 3.45 5.00 0.00 -1.26 -4.98 105.19 106.47 1cew n GLY 57 Ca 0.00 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 1cew n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cew s ILE 58 N -0.13 4.10 -0.26 -0.61 1.09 -0.35 -4.46 121.20 120.58 1cew s ILE 58 Ca 0.00 -0.26 -0.04 0.00 -1.10 0.00 0.00 60.65 59.26 1cew s ILE 58 Cb 0.00 -2.88 0.01 0.00 -1.06 0.00 0.00 42.46 38.54 1cew s ILE 58 CO 0.00 0.40 -0.01 -0.75 -0.10 0.00 0.00 174.94 174.48 1cew s LYS 59 N 1.20 3.02 0.06 2.79 2.20 0.63 -0.20 119.74 129.45 1cew s LYS 59 Ca 0.04 -0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 54.76 1cew s LYS 59 Cb -0.14 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 1cew s LYS 59 CO 0.02 -0.38 0.25 0.71 -0.36 0.00 0.00 175.35 175.59 1cew s TYR 60 N 1.41 3.52 -0.23 4.03 1.51 0.24 -1.33 117.35 126.50 1cew s TYR 60 Ca 0.02 0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 56.43 1cew s TYR 60 Cb -0.16 -1.84 0.07 0.00 -0.11 0.00 0.00 41.96 39.91 1cew s TYR 60 CO -0.02 0.57 -0.00 0.42 -1.11 0.00 0.00 175.55 175.40 1cew s ILE 61 N -1.50 1.15 0.07 2.71 1.09 -0.70 -0.36 121.20 123.66 1cew s ILE 61 Ca 0.34 -1.06 0.02 0.00 -1.10 0.00 0.00 60.65 58.86 1cew s ILE 61 Cb -0.13 -1.56 -0.04 0.00 -1.06 0.00 0.00 42.46 39.68 1cew s ILE 61 CO 0.25 -0.22 0.10 -0.76 -0.10 0.00 0.00 174.94 174.21 1cew s LEU 62 N 1.56 3.89 -0.12 2.97 2.01 0.17 -1.64 118.68 127.51 1cew s LEU 62 Ca -0.02 0.04 -0.01 0.00 0.01 0.00 0.00 54.13 54.15 1cew s LEU 62 Cb -0.18 -2.55 0.03 0.00 0.01 0.00 0.00 46.19 43.50 1cew s LEU 62 CO -0.09 0.18 -0.06 -1.10 1.01 0.00 0.00 176.35 176.28 1cew s GLN 63 N -2.38 1.42 0.00 1.70 -0.21 0.43 -1.11 119.66 119.51 1cew s GLN 63 Ca 0.30 -0.26 0.03 0.00 0.02 0.00 0.00 55.36 55.45 1cew s GLN 63 Cb -0.12 -1.60 -0.01 0.00 1.00 0.00 0.00 33.01 32.28 1cew s GLN 63 CO 0.23 -0.30 -0.09 0.08 -2.12 0.00 0.00 175.29 173.09 1cew s VAL 64 N 1.72 0.72 -0.17 1.09 1.01 0.98 -0.39 120.40 125.37 1cew s VAL 64 Ca 0.04 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 1cew s VAL 64 Cb -0.13 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1cew s VAL 64 CO -0.08 0.14 0.43 -1.61 0.00 0.00 0.00 175.10 173.98 1cew s GLU 65 N -0.38 4.25 0.02 2.72 2.02 -0.70 0.22 118.70 126.84 1cew s GLU 65 Ca 0.02 0.31 0.07 0.00 0.02 0.00 0.00 54.97 55.39 1cew s GLU 65 Cb -0.04 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.67 1cew s GLU 65 CO -0.00 0.05 -0.19 0.42 0.02 0.00 0.00 175.26 175.56 1cew s ILE 66 N 1.00 2.72 0.16 -1.63 1.01 0.13 0.32 121.20 124.92 1cew s ILE 66 Ca 0.22 -1.10 0.09 0.00 0.00 0.00 0.00 60.65 59.85 1cew s ILE 66 Cb -0.15 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 1cew s ILE 66 CO 0.08 0.41 -0.18 -0.83 0.00 0.00 0.00 174.94 174.42 1cew s GLY 67 N -1.20 1.40 0.10 6.18 0.00 0.89 -0.38 107.32 114.31 1cew s GLY 67 Ca 0.13 -1.49 -0.17 0.00 0.00 0.00 0.00 44.72 43.19 1cew s GLY 67 CO 0.03 -1.54 0.56 -1.60 0.00 0.00 0.00 173.10 170.56 1cew s ARG 68 N -2.77 4.11 0.45 2.90 3.52 -0.84 -2.15 118.95 124.17 1cew s ARG 68 Ca 0.16 0.64 0.08 0.00 -0.13 0.00 0.00 55.73 56.47 1cew s ARG 68 Cb -0.06 -3.11 0.01 0.00 -1.56 0.00 0.00 34.95 30.23 1cew s ARG 68 CO 0.07 0.57 0.52 0.95 -0.81 0.00 0.00 175.30 176.60 1cew s THR 69 N -1.25 2.66 -0.28 4.11 -4.23 -0.18 -3.62 115.64 112.84 1cew s THR 69 Ca 0.32 -1.16 0.11 0.00 -1.18 0.00 0.00 61.69 59.78 1cew s THR 69 Cb -0.18 -2.82 0.60 0.00 1.34 0.00 0.00 72.50 71.44 1cew s THR 69 CO 0.19 0.00 1.59 0.35 -0.54 0.00 0.00 174.62 176.21 1cew n THR 70 N -1.78 2.65 -3.83 3.99 -2.24 -1.26 -4.67 114.28 107.14 1cew n THR 70 Ca 0.07 -2.11 -0.36 0.00 -2.27 0.00 0.00 64.05 59.37 1cew n THR 70 Cb 0.61 -0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 68.38 1cew n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cew s PRO 72 N 1.30 4.33 0.00 0.00 0.02 -1.26 -0.91 135.00 138.48 1cew s PRO 72 Ca -0.02 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1cew s PRO 72 Cb -0.20 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1cew s PRO 72 CO 0.00 -0.38 0.45 1.63 -0.33 0.00 0.00 177.00 178.37 1cew n LYS 73 N 3.36 0.00 -0.08 5.54 5.02 -0.97 -0.40 118.16 130.63 1cew n LYS 73 Ca 0.09 0.07 -0.11 0.00 -2.02 0.00 0.00 58.31 56.34 1cew n LYS 73 Cb 0.42 -1.53 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 1cew n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1cew h SER 74 N 0.00 0.00 -4.09 4.39 0.87 -1.90 -3.50 113.55 109.32 1cew h SER 74 Ca 0.00 -0.36 -0.54 0.00 -1.23 0.00 0.00 61.79 59.66 1cew h SER 74 Cb 0.05 0.00 0.13 0.00 -0.44 0.00 0.00 62.40 62.14 1cew h SER 74 CO 0.00 0.99 0.51 -0.94 -0.53 0.00 0.00 176.83 176.86 1cew s SER 75 N -6.16 5.06 0.13 6.23 1.04 0.46 -4.97 113.70 115.49 1cew s SER 75 Ca -0.17 2.51 0.14 0.00 0.48 0.00 0.00 55.95 58.91 1cew s SER 75 Cb 0.02 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 63.43 1cew s SER 75 CO 0.39 -1.69 1.10 1.23 0.98 0.00 0.00 173.24 175.25 1cew h GLY 76 N 0.91 0.00 1.19 7.32 0.00 -1.97 -3.15 103.07 107.37 1cew h GLY 76 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1cew h GLY 76 CO 0.55 0.00 0.25 1.34 0.00 0.00 0.00 176.54 178.67 1cew n ASP 77 N -3.11 0.15 -0.05 0.19 2.03 -1.26 -4.35 116.55 110.14 1cew n ASP 77 Ca -0.05 0.41 -0.01 0.00 0.52 0.00 0.00 54.79 55.66 1cew n ASP 77 Cb 0.85 -0.39 -0.01 0.00 -0.72 0.00 0.00 41.12 40.85 1cew n ASP 77 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1cew n LEU 78 N -1.64 -0.13 0.13 -2.67 7.94 -1.19 0.80 117.00 120.24 1cew n LEU 78 Ca -0.00 0.92 -0.01 0.00 -1.11 0.00 0.00 56.01 55.80 1cew n LEU 78 Cb 0.25 -0.38 0.10 0.00 0.53 0.00 0.00 43.42 43.93 1cew n LEU 78 CO 0.03 -0.53 0.43 -0.61 -1.11 0.00 0.00 177.39 175.60 1cew h GLN 79 N 0.00 0.00 -0.49 1.96 4.15 -1.90 0.72 115.11 119.55 1cew h GLN 79 Ca 0.02 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 1cew h GLN 79 Cb 0.05 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1cew h GLN 79 CO -0.11 0.66 -0.08 1.03 -1.93 0.00 0.00 178.83 178.40 1cew h SER 80 N 0.00 0.92 -0.50 -0.69 0.87 -1.79 -2.25 113.55 110.11 1cew h SER 80 Ca -0.01 -0.34 0.07 0.00 -1.23 0.00 0.00 61.79 60.28 1cew h SER 80 Cb 1.30 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 62.95 1cew h SER 80 CO 0.09 1.05 0.18 0.00 -0.53 0.00 0.00 176.83 177.62 1cew h GLU 82 N 0.36 0.29 0.00 0.00 5.08 -0.27 -1.92 114.58 118.12 1cew h GLU 82 Ca 0.24 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1cew h GLU 82 Cb 0.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1cew h GLU 82 CO -0.24 0.57 -0.47 0.74 -1.00 0.00 0.00 179.01 178.61 1cew h PHE 83 N 0.26 0.00 0.00 4.33 0.04 -1.43 -3.38 116.94 116.76 1cew h PHE 83 Ca 0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1cew h PHE 83 Cb 0.66 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.81 1cew h PHE 83 CO 0.01 0.47 -0.05 0.45 -0.60 0.00 0.00 178.31 178.60 1cew h HIS 84 N 0.00 0.00 0.00 -0.55 3.86 -1.25 -3.35 115.15 113.86 1cew h HIS 84 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1cew h HIS 84 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 1cew h HIS 84 CO 0.00 0.37 0.00 0.38 0.86 0.00 0.00 177.93 179.54 1cew h ASP 85 N -1.00 0.00 0.00 2.45 2.03 -1.63 -3.41 116.42 114.85 1cew h ASP 85 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1cew h ASP 85 Cb 0.39 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1cew h ASP 85 CO -0.00 0.00 0.00 1.21 -1.03 0.00 0.00 179.24 179.42 1cew n GLU 86 N -2.51 0.00 -4.00 4.15 2.13 -1.26 -3.97 120.64 115.17 1cew n GLU 86 Ca -0.02 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.49 1cew n GLU 86 Cb 0.05 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.61 1cew n GLU 86 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1cew s PRO 87 N 0.00 1.59 0.01 5.31 0.05 -1.26 -5.00 135.00 135.69 1cew s PRO 87 Ca 0.00 -2.05 -0.19 0.00 0.05 0.00 0.00 61.00 58.81 1cew s PRO 87 Cb 0.00 -3.23 0.06 0.00 0.05 0.00 0.00 34.50 31.38 1cew s PRO 87 CO 0.00 -0.98 0.88 -1.91 0.05 0.00 0.00 177.00 175.04 1cew n GLU 88 N 3.99 0.18 0.00 4.56 2.13 -1.25 -5.23 120.64 125.01 1cew n GLU 88 Ca 0.04 -0.62 0.00 0.00 0.66 0.00 0.00 57.16 57.24 1cew n GLU 88 Cb 0.40 0.98 0.00 0.00 0.27 0.00 0.00 31.44 33.09 1cew n GLU 88 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1cew n MET 89 N -0.63 0.00 0.00 5.31 2.81 -1.26 -5.06 117.12 118.28 1cew n MET 89 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1cew n MET 89 Cb 0.41 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.92 1cew n MET 89 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1cew n ALA 90 N -0.77 0.00 -2.66 3.04 0.00 -1.24 -4.92 120.51 113.96 1cew n ALA 90 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1cew n ALA 90 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1cew n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1cew s LYS 91 N 0.00 1.34 -0.01 0.00 2.47 -1.26 -4.93 119.74 117.34 1cew s LYS 91 Ca 0.00 -0.54 -0.24 0.00 -1.56 0.00 0.00 55.97 53.63 1cew s LYS 91 Cb 0.00 -1.26 -0.05 0.00 -1.46 0.00 0.00 37.83 35.07 1cew s LYS 91 CO 0.00 0.29 0.73 0.71 0.16 0.00 0.00 175.35 177.24 1cew s TYR 92 N -0.23 3.66 0.00 4.03 2.02 -1.26 -1.98 117.35 123.60 1cew s TYR 92 Ca 0.03 1.35 0.06 0.00 -0.37 0.00 0.00 57.07 58.14 1cew s TYR 92 Cb -0.07 -2.80 -0.02 0.00 -0.40 0.00 0.00 41.96 38.67 1cew s TYR 92 CO 0.00 0.19 -0.19 0.99 -1.57 0.00 0.00 175.55 174.97 1cew s THR 93 N 0.36 1.47 -0.08 -0.71 2.01 0.49 -4.94 115.64 114.24 1cew s THR 93 Ca 0.38 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1cew s THR 93 Cb -0.19 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 1cew s THR 93 CO 0.20 0.33 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.45 1cew s THR 94 N -0.55 3.19 0.13 -0.82 2.01 -1.26 0.17 115.64 118.52 1cew s THR 94 Ca 0.07 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.50 1cew s THR 94 Cb -0.08 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 1cew s THR 94 CO 0.00 0.57 -0.20 0.00 -0.69 0.00 0.00 174.62 174.30 1cew s THR 96 N -1.56 3.73 -0.06 0.00 2.01 -0.41 -0.01 115.64 119.33 1cew s THR 96 Ca 0.11 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.56 1cew s THR 96 Cb -0.08 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 1cew s THR 96 CO 0.05 0.26 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.85 1cew s PHE 97 N 1.50 3.05 -0.21 4.92 0.08 -0.26 -1.33 117.98 125.72 1cew s PHE 97 Ca 0.04 0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.19 1cew s PHE 97 Cb -0.16 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1cew s PHE 97 CO 0.00 0.41 -0.12 0.08 -0.10 0.00 0.00 175.22 175.49 1cew s VAL 98 N -0.88 2.58 -0.04 -0.44 1.01 -0.53 -0.66 120.40 121.44 1cew s VAL 98 Ca 0.14 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1cew s VAL 98 Cb -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1cew s VAL 98 CO 0.03 0.37 0.04 -0.69 0.00 0.00 0.00 175.10 174.86 1cew s VAL 99 N 1.33 4.55 -0.09 2.92 1.01 0.51 -2.16 120.40 128.46 1cew s VAL 99 Ca 0.03 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1cew s VAL 99 Cb -0.15 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1cew s VAL 99 CO -0.08 0.46 -0.13 -0.47 0.00 0.00 0.00 175.10 174.88 1cew s TYR 100 N -1.06 1.74 -0.20 5.22 5.04 0.94 -0.59 117.35 128.43 1cew s TYR 100 Ca 0.18 -0.77 -0.01 0.00 -2.44 0.00 0.00 57.07 54.04 1cew s TYR 100 Cb -0.12 -1.28 0.01 0.00 0.35 0.00 0.00 41.96 40.93 1cew s TYR 100 CO 0.09 -0.41 -0.13 0.45 -1.34 0.00 0.00 175.55 174.20 1cew s SER 101 N 0.97 3.64 -0.80 4.32 0.15 0.72 -0.13 113.70 122.58 1cew s SER 101 Ca -0.08 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 55.99 1cew s SER 101 Cb -0.15 -1.58 0.24 0.00 -1.71 0.00 0.00 66.02 62.81 1cew s SER 101 CO -0.00 -0.02 0.83 -0.38 1.20 0.00 0.00 173.24 174.86 1cew n ILE 102 N 4.68 2.90 1.11 6.45 5.41 0.26 -1.21 119.36 138.95 1cew n ILE 102 Ca -0.20 -5.24 0.03 0.00 1.00 0.00 0.00 62.75 58.35 1cew n ILE 102 Cb 0.50 -2.20 0.18 0.00 -0.71 0.00 0.00 39.64 37.41 1cew n ILE 102 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1cew n PRO 103 N 1.56 0.55 -0.00 0.38 -0.04 -1.26 -1.86 135.00 134.33 1cew n PRO 103 Ca 0.25 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 1cew n PRO 103 Cb 0.37 -1.17 0.09 0.00 -0.04 0.00 0.00 33.50 32.75 1cew n PRO 103 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1cew n TRP 104 N -0.67 0.00 0.30 0.54 2.14 -1.26 -3.46 117.44 115.03 1cew n TRP 104 Ca 0.05 -0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.65 1cew n TRP 104 Cb 0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.52 1cew n TRP 104 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1cew n LEU 105 N 1.16 1.03 -3.35 5.67 4.77 -0.78 -4.98 117.00 120.52 1cew n LEU 105 Ca 0.12 -0.78 -0.21 0.00 -0.03 0.00 0.00 56.01 55.11 1cew n LEU 105 Cb 0.51 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.68 1cew n LEU 105 CO 0.13 0.22 0.21 0.59 -1.33 0.00 0.00 177.39 177.21 1cew n ASN 106 N -0.27 -5.54 -4.16 -1.43 3.02 -1.14 -5.03 115.26 100.71 1cew n ASN 106 Ca 0.03 -0.51 -0.18 0.00 -0.03 0.00 0.00 54.58 53.89 1cew n ASN 106 Cb 0.14 -4.71 -0.12 0.00 -0.61 0.00 0.00 39.78 34.48 1cew n ASN 106 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1cew s GLN 107 N -6.09 0.83 -0.12 3.52 0.74 -0.93 -4.97 119.66 112.64 1cew s GLN 107 Ca 0.47 -0.88 -0.00 0.00 0.05 0.00 0.00 55.36 55.00 1cew s GLN 107 Cb -0.21 -0.83 0.02 0.00 1.10 0.00 0.00 33.01 33.10 1cew s GLN 107 CO 0.67 0.19 -0.10 -1.50 -0.55 0.00 0.00 175.29 174.00 1cew s ILE 108 N -1.15 1.23 0.01 -2.34 2.07 -1.26 0.89 121.20 120.65 1cew s ILE 108 Ca -0.01 -0.42 0.04 0.00 -1.41 0.00 0.00 60.65 58.85 1cew s ILE 108 Cb -0.09 -1.20 -0.01 0.00 0.13 0.00 0.00 42.46 41.28 1cew s ILE 108 CO 0.02 0.40 -0.13 -0.54 -1.91 0.00 0.00 174.94 172.78 1cew s LYS 109 N 1.59 0.96 -0.27 3.50 -0.14 0.82 -4.95 119.74 121.25 1cew s LYS 109 Ca 0.04 -0.55 -0.01 0.00 -1.36 0.00 0.00 55.97 54.09 1cew s LYS 109 Cb -0.13 -0.94 0.04 0.00 -1.68 0.00 0.00 37.83 35.12 1cew s LYS 109 CO -0.09 0.25 -0.06 -1.17 -0.76 0.00 0.00 175.35 173.53 1cew s LEU 110 N -0.61 3.44 -0.24 3.17 2.96 -1.26 -0.04 118.68 126.10 1cew s LEU 110 Ca 0.03 -1.10 0.03 0.00 -0.22 0.00 0.00 54.13 52.87 1cew s LEU 110 Cb -0.06 -1.65 -0.19 0.00 0.50 0.00 0.00 46.19 44.79 1cew s LEU 110 CO 0.00 -0.18 -0.14 0.18 -1.32 0.00 0.00 176.35 174.90 1cew n LEU 111 N 4.61 2.65 -3.87 -0.68 4.32 -0.92 -4.96 117.00 118.14 1cew n LEU 111 Ca -0.15 -0.09 -0.11 0.00 -0.02 0.00 0.00 56.01 55.64 1cew n LEU 111 Cb 0.45 -0.79 -0.10 0.00 -1.62 0.00 0.00 43.42 41.36 1cew n LEU 111 CO 0.26 0.88 -0.17 -0.70 -1.22 0.00 0.00 177.39 176.44 1cew s GLU 112 N -2.52 0.48 -0.03 3.23 2.12 -1.07 -4.98 118.70 115.94 1cew s GLU 112 Ca -0.31 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 54.65 1cew s GLU 112 Cb 0.08 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.69 1cew s GLU 112 CO 0.64 -0.11 -0.05 -1.54 -0.54 0.00 0.00 175.26 173.66 1cew s SER 113 N -1.36 0.80 -0.28 -1.70 1.04 -1.26 -1.45 113.70 109.50 1cew s SER 113 Ca -0.14 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.21 1cew s SER 113 Cb -0.07 -0.31 0.07 0.00 0.10 0.00 0.00 66.02 65.81 1cew s SER 113 CO 0.02 -0.02 -0.08 -0.75 0.98 0.00 0.00 173.24 173.39 1cew s LYS 114 N 0.58 2.10 0.09 4.02 2.20 -0.44 -4.96 119.74 123.33 1cew s LYS 114 Ca -0.07 -1.45 0.03 0.00 -0.36 0.00 0.00 55.97 54.12 1cew s LYS 114 Cb -0.11 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 1cew s LYS 114 CO -0.00 -0.64 0.11 0.00 -0.36 0.00 0.00 175.35 174.46