#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a67 s ALA 10 N 0.00 0.64 0.17 4.61 0.00 -1.26 -5.14 121.76 120.78 1a67 s ALA 10 Ca 0.00 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 1a67 s ALA 10 Cb 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 1a67 s ALA 10 CO 0.00 -0.06 0.88 -1.25 0.00 0.00 0.00 175.76 175.33 1a67 s PRO 11 N -1.97 4.70 0.44 0.00 0.04 -1.26 -4.84 135.00 132.11 1a67 s PRO 11 Ca -0.06 1.34 0.06 0.00 0.04 0.00 0.00 61.00 62.37 1a67 s PRO 11 Cb -0.07 -3.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.10 1a67 s PRO 11 CO -0.01 0.44 0.04 0.14 0.04 0.00 0.00 177.00 177.66 1a67 s VAL 12 N -0.78 1.84 0.79 -0.36 -7.23 -1.06 -4.96 120.40 108.64 1a67 s VAL 12 Ca 0.40 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.51 1a67 s VAL 12 Cb -0.24 -2.79 0.06 0.00 0.56 0.00 0.00 36.38 33.98 1a67 s VAL 12 CO 0.29 0.00 1.13 -2.16 -0.31 0.00 0.00 175.10 174.05 1a67 s PRO 13 N -3.79 2.17 -0.11 4.82 0.04 -1.26 -1.31 135.00 135.56 1a67 s PRO 13 Ca 0.29 0.35 -0.04 0.00 0.04 0.00 0.00 61.00 61.64 1a67 s PRO 13 Cb 0.07 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1a67 s PRO 13 CO 0.15 -1.50 0.06 0.08 0.04 0.00 0.00 177.00 175.83 1a67 s VAL 14 N -3.38 4.77 -0.11 -0.36 1.01 -1.21 -4.52 120.40 116.60 1a67 s VAL 14 Ca 0.61 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 1a67 s VAL 14 Cb -0.12 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1a67 s VAL 14 CO 0.52 0.58 0.32 1.51 0.00 0.00 0.00 175.10 178.03 1a67 s ASP 15 N -0.68 6.56 -0.38 3.32 1.47 -1.26 -4.97 116.67 120.72 1a67 s ASP 15 Ca 0.12 0.66 0.06 0.00 1.18 0.00 0.00 52.55 54.57 1a67 s ASP 15 Cb -0.12 -2.20 0.66 0.00 -0.34 0.00 0.00 42.92 40.93 1a67 s ASP 15 CO 0.02 0.19 1.83 1.21 0.68 0.00 0.00 175.17 179.11 1a67 n GLU 16 N 2.88 2.70 -0.08 2.11 2.13 -1.26 -4.27 120.64 124.85 1a67 n GLU 16 Ca -0.13 -2.86 0.11 0.00 0.66 0.00 0.00 57.16 54.93 1a67 n GLU 16 Cb 0.52 -2.14 0.37 0.00 0.27 0.00 0.00 31.44 30.47 1a67 n GLU 16 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1a67 n ASN 17 N -0.71 1.79 -4.26 4.31 5.03 -1.26 -4.80 115.26 115.36 1a67 n ASN 17 Ca 0.50 -1.72 -0.33 0.00 0.87 0.00 0.00 54.58 53.91 1a67 n ASN 17 Cb 1.52 -0.11 -0.16 0.00 -1.02 0.00 0.00 39.78 40.01 1a67 n ASN 17 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1a67 s ASP 18 N -1.60 3.52 0.18 6.41 2.15 -1.26 -4.98 116.67 121.09 1a67 s ASP 18 Ca 0.33 -0.48 0.23 0.00 0.43 0.00 0.00 52.55 53.06 1a67 s ASP 18 Cb 0.18 -1.52 0.90 0.00 -0.30 0.00 0.00 42.92 42.18 1a67 s ASP 18 CO 0.27 0.11 1.72 1.21 -0.17 0.00 0.00 175.17 178.31 1a67 n GLU 19 N 3.87 0.16 0.20 4.34 4.07 -1.26 -2.87 120.64 129.16 1a67 n GLU 19 Ca -0.19 0.29 0.07 0.00 -0.06 0.00 0.00 57.16 57.27 1a67 n GLU 19 Cb 0.52 -1.76 0.43 0.00 -0.06 0.00 0.00 31.44 30.57 1a67 n GLU 19 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1a67 h GLY 20 N 3.23 0.00 2.00 8.31 0.00 -1.99 -2.68 103.07 111.95 1a67 h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a67 h GLY 20 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.54 1a67 h LEU 21 N 0.00 0.00 -0.41 3.11 7.12 -1.92 -3.04 115.31 120.17 1a67 h LEU 21 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1a67 h LEU 21 Cb 0.72 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1a67 h LEU 21 CO 0.04 0.00 0.00 1.67 -0.13 0.00 0.00 178.44 180.02 1a67 n GLN 22 N -3.08 0.10 -0.05 1.25 7.27 -1.01 -2.89 117.38 118.96 1a67 n GLN 22 Ca 0.03 0.37 -0.16 0.00 0.07 0.00 0.00 57.00 57.30 1a67 n GLN 22 Cb 0.43 -1.70 -0.13 0.00 2.41 0.00 0.00 30.24 31.25 1a67 n GLN 22 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1a67 h ARG 23 N 0.00 0.05 0.00 3.69 2.43 -1.69 -3.21 114.38 115.65 1a67 h ARG 23 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1a67 h ARG 23 Cb 0.27 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1a67 h ARG 23 CO 0.00 1.04 0.27 0.00 -1.51 0.00 0.00 179.97 179.77 1a67 h ALA 24 N -0.06 1.25 -0.19 2.80 0.00 -1.69 0.38 119.26 121.74 1a67 h ALA 24 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1a67 h ALA 24 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1a67 h ALA 24 CO -0.00 -0.25 -0.35 1.25 0.00 0.00 0.00 179.25 179.90 1a67 h LEU 25 N 0.00 0.64 -2.13 0.00 7.12 -1.58 -2.88 115.31 116.48 1a67 h LEU 25 Ca 0.00 -0.54 0.01 0.00 0.13 0.00 0.00 57.88 57.48 1a67 h LEU 25 Cb 0.54 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1a67 h LEU 25 CO 0.00 1.06 0.03 1.56 -0.13 0.00 0.00 178.44 180.96 1a67 h GLN 26 N 0.24 0.00 -0.45 1.25 4.20 -1.02 -1.53 115.11 117.80 1a67 h GLN 26 Ca 0.01 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1a67 h GLN 26 Cb 0.94 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 1a67 h GLN 26 CO 0.08 0.00 0.27 0.35 -0.67 0.00 0.00 178.83 178.85 1a67 h PHE 27 N 0.00 0.50 0.25 2.96 3.04 -1.49 -2.73 116.94 119.48 1a67 h PHE 27 Ca 0.02 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1a67 h PHE 27 Cb 0.07 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.43 1a67 h PHE 27 CO 0.00 0.29 -0.12 0.00 -2.02 0.00 0.00 178.31 176.46 1a67 h ALA 28 N 1.20 -0.34 -0.89 2.41 0.00 -1.31 -3.14 119.26 117.19 1a67 h ALA 28 Ca 0.18 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.12 1a67 h ALA 28 Cb 0.01 0.13 -0.16 0.00 0.00 0.00 0.00 17.79 17.77 1a67 h ALA 28 CO -0.08 -0.47 0.03 1.98 0.00 0.00 0.00 179.25 180.71 1a67 h MET 29 N -0.78 0.06 0.12 0.00 1.85 -1.41 0.88 114.93 115.66 1a67 h MET 29 Ca -0.03 -0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.06 1a67 h MET 29 Cb 0.51 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 1a67 h MET 29 CO 0.06 0.04 -0.18 0.00 -0.40 0.00 0.00 176.91 176.43 1a67 h ALA 30 N 1.86 -0.32 -1.25 0.39 0.00 -1.49 0.11 119.26 118.56 1a67 h ALA 30 Ca 0.52 -0.03 0.36 0.00 0.00 0.00 0.00 54.91 55.76 1a67 h ALA 30 Cb 1.00 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 1a67 h ALA 30 CO -0.81 -0.71 0.88 0.93 0.00 0.00 0.00 179.25 179.54 1a67 h GLU 31 N -0.36 0.08 -0.01 0.00 4.39 -0.79 0.89 114.58 118.78 1a67 h GLU 31 Ca 0.02 -0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.46 1a67 h GLU 31 Cb 0.37 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1a67 h GLU 31 CO -0.09 0.05 -1.00 -0.92 -1.16 0.00 0.00 179.01 175.89 1a67 h TYR 32 N 0.08 0.94 -0.71 4.33 5.03 -0.37 -2.59 116.97 123.68 1a67 h TYR 32 Ca 0.63 -0.50 0.18 0.00 2.58 0.00 0.00 58.73 61.62 1a67 h TYR 32 Cb 2.30 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 40.43 1a67 h TYR 32 CO -0.00 1.34 0.50 -2.95 -1.32 0.00 0.00 178.16 175.72 1a67 h ASN 33 N 0.36 0.12 0.60 -2.11 7.08 0.23 0.01 115.58 121.88 1a67 h ASN 33 Ca -0.11 0.01 -0.25 0.00 -3.08 0.00 0.00 56.30 52.87 1a67 h ASN 33 Cb 1.65 -0.01 -0.04 0.00 -2.08 0.00 0.00 38.32 37.83 1a67 h ASN 33 CO 0.19 0.06 -1.56 0.08 -2.08 0.00 0.00 177.43 174.12 1a67 h ARG 34 N 0.12 0.00 -0.34 4.14 0.11 -1.45 -3.21 114.38 113.75 1a67 h ARG 34 Ca 0.34 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.30 1a67 h ARG 34 Cb 1.17 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 1a67 h ARG 34 CO -0.04 0.45 -0.28 0.00 0.10 0.00 0.00 179.97 180.20 1a67 h ALA 35 N 1.14 0.87 -0.01 0.08 0.00 -0.62 -2.75 119.26 117.97 1a67 h ALA 35 Ca -0.23 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1a67 h ALA 35 Cb 1.86 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1a67 h ALA 35 CO 0.07 0.63 -0.11 -1.13 0.00 0.00 0.00 179.25 178.71 1a67 n SER 36 N -4.09 1.36 0.00 0.00 3.41 -0.69 -4.89 113.62 108.72 1a67 n SER 36 Ca -0.00 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 1a67 n SER 36 Cb 0.46 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1a67 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a67 n ASN 37 N -0.13 0.00 -3.57 4.04 4.05 -1.04 -4.11 115.26 114.49 1a67 n ASN 37 Ca 0.16 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.19 1a67 n ASN 37 Cb 0.36 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.37 1a67 n ASN 37 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1a67 n ASP 38 N 0.30 -0.12 -2.21 1.20 8.00 -1.26 -4.92 116.55 117.54 1a67 n ASP 38 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 1a67 n ASP 38 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1a67 n ASP 38 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1a67 n LYS 39 N -0.12 3.44 -3.58 -1.24 2.85 -1.26 -5.03 118.16 113.22 1a67 n LYS 39 Ca 0.00 -4.24 -0.05 0.00 -1.05 0.00 0.00 58.31 52.98 1a67 n LYS 39 Cb 0.00 -2.23 -0.02 0.00 -0.65 0.00 0.00 35.03 32.14 1a67 n LYS 39 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1a67 s TYR 40 N -3.58 -0.17 0.00 5.58 2.02 -1.26 -2.69 117.35 117.25 1a67 s TYR 40 Ca 0.49 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 57.27 1a67 s TYR 40 Cb 0.40 0.53 0.00 0.00 -0.40 0.00 0.00 41.96 42.49 1a67 s TYR 40 CO -0.04 -0.32 0.00 0.43 -1.57 0.00 0.00 175.55 174.05 1a67 n SER 41 N -0.19 0.00 -4.41 2.29 7.64 0.65 -4.91 113.62 114.68 1a67 n SER 41 Ca -0.03 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.54 1a67 n SER 41 Cb 0.60 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.66 1a67 n SER 41 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1a67 s SER 42 N -0.16 3.53 -0.29 6.43 0.01 -1.26 -1.25 113.70 120.70 1a67 s SER 42 Ca 0.00 -0.49 -0.17 0.00 1.31 0.00 0.00 55.95 56.60 1a67 s SER 42 Cb 0.00 -0.48 0.15 0.00 0.21 0.00 0.00 66.02 65.90 1a67 s SER 42 CO 0.00 0.26 1.03 0.00 0.41 0.00 0.00 173.24 174.94 1a67 s ARG 43 N -1.31 0.34 0.60 12.44 1.70 -0.11 -2.45 118.95 130.16 1a67 s ARG 43 Ca 0.13 0.57 -0.14 0.00 -0.47 0.00 0.00 55.73 55.82 1a67 s ARG 43 Cb -0.10 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.32 1a67 s ARG 43 CO 0.04 -0.07 1.03 0.08 -1.08 0.00 0.00 175.30 175.30 1a67 s VAL 44 N 1.19 4.23 -0.10 4.99 1.01 -1.26 -1.45 120.40 129.01 1a67 s VAL 44 Ca -0.08 0.92 -0.08 0.00 0.00 0.00 0.00 61.98 62.75 1a67 s VAL 44 Cb -0.04 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1a67 s VAL 44 CO -0.14 -0.76 -0.18 0.52 0.00 0.00 0.00 175.10 174.55 1a67 n VAL 45 N -2.28 1.03 -3.63 2.92 0.31 -0.52 -4.45 118.33 111.72 1a67 n VAL 45 Ca 0.07 0.01 -0.03 0.00 -0.01 0.00 0.00 64.34 64.38 1a67 n VAL 45 Cb 0.54 -1.81 -0.04 0.00 -0.91 0.00 0.00 33.84 31.62 1a67 n VAL 45 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1a67 s ARG 46 N -2.34 0.15 0.41 5.55 3.52 -1.25 -5.03 118.95 119.96 1a67 s ARG 46 Ca -0.17 0.00 -0.22 0.00 -0.13 0.00 0.00 55.73 55.21 1a67 s ARG 46 Cb 0.05 0.07 -0.10 0.00 -1.56 0.00 0.00 34.95 33.41 1a67 s ARG 46 CO 0.23 -0.05 0.98 0.08 -0.81 0.00 0.00 175.30 175.73 1a67 s VAL 47 N -1.40 4.14 -0.15 7.11 1.01 -1.26 -2.65 120.40 127.20 1a67 s VAL 47 Ca 0.08 1.47 -0.00 0.00 0.00 0.00 0.00 61.98 63.53 1a67 s VAL 47 Cb -0.01 -3.67 -0.24 0.00 0.00 0.00 0.00 36.38 32.46 1a67 s VAL 47 CO -0.06 -0.15 0.25 -0.38 0.00 0.00 0.00 175.10 174.76 1a67 n ILE 48 N -0.35 1.66 0.00 2.22 5.41 0.14 -4.94 119.36 123.50 1a67 n ILE 48 Ca 0.06 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 63.14 1a67 n ILE 48 Cb 0.52 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 1a67 n ILE 48 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1a67 n SER 49 N -3.32 0.00 -3.79 4.38 2.88 -1.26 -4.98 113.62 107.54 1a67 n SER 49 Ca -0.33 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.04 1a67 n SER 49 Cb 1.04 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 64.34 1a67 n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a67 s ALA 50 N -2.00 0.26 0.05 -1.46 0.00 -1.26 -3.40 121.76 113.94 1a67 s ALA 50 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.19 1a67 s ALA 50 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1a67 s ALA 50 CO 0.00 -0.14 -0.11 0.15 0.00 0.00 0.00 175.76 175.66 1a67 s LYS 51 N 1.19 0.71 -0.03 0.00 1.02 -0.63 -3.33 119.74 118.66 1a67 s LYS 51 Ca -0.08 -0.77 0.05 0.00 0.02 0.00 0.00 55.97 55.19 1a67 s LYS 51 Cb -0.13 -0.62 -0.01 0.00 -0.52 0.00 0.00 37.83 36.55 1a67 s LYS 51 CO -0.02 0.14 -0.17 -0.98 -0.92 0.00 0.00 175.35 173.39 1a67 s ARG 52 N -1.41 1.60 0.53 1.68 1.70 -0.42 -0.08 118.95 122.55 1a67 s ARG 52 Ca -0.04 -0.62 0.05 0.00 -0.47 0.00 0.00 55.73 54.65 1a67 s ARG 52 Cb -0.09 -1.46 0.02 0.00 -0.57 0.00 0.00 34.95 32.85 1a67 s ARG 52 CO 0.01 0.31 0.31 -0.65 -1.08 0.00 0.00 175.30 174.20 1a67 s GLN 53 N -0.20 2.25 0.07 3.89 -0.21 -0.04 -2.55 119.66 122.87 1a67 s GLN 53 Ca 0.02 -2.09 0.09 0.00 0.02 0.00 0.00 55.36 53.41 1a67 s GLN 53 Cb -0.09 -1.98 -0.03 0.00 1.00 0.00 0.00 33.01 31.91 1a67 s GLN 53 CO 0.01 -0.53 -0.26 -0.48 -2.12 0.00 0.00 175.29 171.91 1a67 s LEU 54 N -4.17 2.22 -0.43 2.90 2.34 -1.26 -1.18 118.68 119.09 1a67 s LEU 54 Ca 0.28 -0.63 0.03 0.00 0.06 0.00 0.00 54.13 53.87 1a67 s LEU 54 Cb -0.01 -1.21 0.26 0.00 -0.56 0.00 0.00 46.19 44.67 1a67 s LEU 54 CO 0.17 0.21 1.03 1.33 -1.06 0.00 0.00 176.35 178.03 1a67 n VAL 55 N 1.49 0.00 0.00 1.48 0.24 -1.26 -4.93 118.33 115.36 1a67 n VAL 55 Ca -0.17 -1.19 0.00 0.00 -2.04 0.00 0.00 64.34 60.94 1a67 n VAL 55 Cb 0.52 1.34 0.00 0.00 -1.47 0.00 0.00 33.84 34.24 1a67 n VAL 55 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1a67 n SER 56 N 1.55 0.00 0.00 -1.34 2.88 -1.26 -4.79 113.62 110.66 1a67 n SER 56 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1a67 n SER 56 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1a67 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a67 n GLY 57 N 0.00 5.18 3.65 0.46 0.00 -1.26 -5.08 105.19 108.13 1a67 n GLY 57 Ca 0.00 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 1a67 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a67 s ILE 58 N 2.16 3.65 -0.01 -0.61 1.01 -0.63 -4.47 121.20 122.30 1a67 s ILE 58 Ca 0.00 -1.46 0.02 0.00 0.00 0.00 0.00 60.65 59.21 1a67 s ILE 58 Cb 0.00 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.63 1a67 s ILE 58 CO 0.00 -0.11 -0.07 -0.75 0.00 0.00 0.00 174.94 174.01 1a67 s LYS 59 N -2.94 0.61 0.19 2.79 2.47 -0.32 -1.24 119.74 121.29 1a67 s LYS 59 Ca 0.27 -0.24 0.05 0.00 -1.56 0.00 0.00 55.97 54.50 1a67 s LYS 59 Cb -0.09 -0.59 -0.04 0.00 -1.46 0.00 0.00 37.83 35.65 1a67 s LYS 59 CO 0.18 0.13 0.19 0.71 0.16 0.00 0.00 175.35 176.71 1a67 s TYR 60 N -0.04 3.20 -0.21 4.03 2.02 -0.29 -0.86 117.35 125.19 1a67 s TYR 60 Ca 0.01 -0.03 -0.04 0.00 -0.37 0.00 0.00 57.07 56.65 1a67 s TYR 60 Cb -0.04 -1.50 0.11 0.00 -0.40 0.00 0.00 41.96 40.13 1a67 s TYR 60 CO -0.00 0.51 0.32 0.96 -1.57 0.00 0.00 175.55 175.77 1a67 s ILE 61 N -1.87 -0.50 -0.04 2.71 -4.36 0.89 -0.87 121.20 117.16 1a67 s ILE 61 Ca 0.32 -0.03 0.07 0.00 -0.26 0.00 0.00 60.65 60.75 1a67 s ILE 61 Cb -0.09 -0.72 -0.02 0.00 1.25 0.00 0.00 42.46 42.88 1a67 s ILE 61 CO 0.25 -0.11 -0.23 -1.48 0.24 0.00 0.00 174.94 173.61 1a67 s LEU 62 N 2.47 2.21 -0.44 0.37 0.05 -0.40 -1.61 118.68 121.33 1a67 s LEU 62 Ca 0.08 -0.42 -0.12 0.00 0.05 0.00 0.00 54.13 53.72 1a67 s LEU 62 Cb -0.15 -1.40 0.07 0.00 -2.05 0.00 0.00 46.19 42.66 1a67 s LEU 62 CO -0.14 0.31 0.32 -1.10 -0.55 0.00 0.00 176.35 175.19 1a67 s GLN 63 N -0.52 2.81 0.18 1.48 -0.21 -1.22 -0.17 119.66 122.02 1a67 s GLN 63 Ca 0.07 -1.36 0.01 0.00 0.02 0.00 0.00 55.36 54.10 1a67 s GLN 63 Cb -0.11 -3.95 -0.04 0.00 1.00 0.00 0.00 33.01 29.91 1a67 s GLN 63 CO 0.00 -0.96 0.34 0.14 -2.12 0.00 0.00 175.29 172.70 1a67 s VAL 64 N 1.55 5.26 -0.55 1.09 -7.23 0.55 -0.68 120.40 120.38 1a67 s VAL 64 Ca 0.03 -0.53 -0.03 0.00 -1.81 0.00 0.00 61.98 59.64 1a67 s VAL 64 Cb -0.23 -3.74 0.14 0.00 0.56 0.00 0.00 36.38 33.11 1a67 s VAL 64 CO 0.05 -0.15 0.36 -0.70 -0.31 0.00 0.00 175.10 174.36 1a67 s GLU 65 N -3.31 2.40 -0.14 4.82 2.12 -1.08 -1.34 118.70 122.16 1a67 s GLU 65 Ca 0.37 -2.26 -0.07 0.00 0.36 0.00 0.00 54.97 53.37 1a67 s GLU 65 Cb -0.11 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 1a67 s GLU 65 CO 0.29 -1.14 0.10 0.96 -0.54 0.00 0.00 175.26 174.92 1a67 s ILE 66 N 0.41 5.16 0.41 -3.70 -4.36 0.10 -1.44 121.20 117.78 1a67 s ILE 66 Ca 0.14 0.08 0.04 0.00 -0.26 0.00 0.00 60.65 60.65 1a67 s ILE 66 Cb -0.21 -3.27 -0.02 0.00 1.25 0.00 0.00 42.46 40.21 1a67 s ILE 66 CO -0.04 0.56 0.12 -0.83 0.24 0.00 0.00 174.94 175.00 1a67 s GLY 67 N -0.53 2.63 0.47 6.27 0.00 -0.53 0.10 107.32 115.74 1a67 s GLY 67 Ca 0.11 -1.21 0.07 0.00 0.00 0.00 0.00 44.72 43.70 1a67 s GLY 67 CO 0.02 -1.85 0.65 0.50 0.00 0.00 0.00 173.10 172.42 1a67 s ARG 68 N -3.71 2.66 0.06 2.90 1.81 -1.25 -0.93 118.95 120.49 1a67 s ARG 68 Ca 0.23 -1.26 -0.26 0.00 -1.72 0.00 0.00 55.73 52.72 1a67 s ARG 68 Cb 0.02 -2.70 0.09 0.00 -0.45 0.00 0.00 34.95 31.92 1a67 s ARG 68 CO 0.14 -0.47 1.18 -0.08 -0.68 0.00 0.00 175.30 175.40 1a67 s THR 69 N -2.48 0.00 -0.42 0.02 -1.32 -0.38 -4.00 115.64 107.06 1a67 s THR 69 Ca 0.57 -0.35 0.05 0.00 -1.21 0.00 0.00 61.69 60.75 1a67 s THR 69 Cb -0.09 -2.70 0.67 0.00 -1.51 0.00 0.00 72.50 68.87 1a67 s THR 69 CO 0.35 0.00 1.87 0.35 -2.21 0.00 0.00 174.62 174.98 1a67 n THR 70 N -0.73 3.09 -3.95 5.08 -2.24 -0.62 -0.26 114.28 114.66 1a67 n THR 70 Ca -0.01 -1.80 -0.09 0.00 -2.27 0.00 0.00 64.05 59.87 1a67 n THR 70 Cb 0.60 -0.46 -0.08 0.00 -2.10 0.00 0.00 70.33 68.29 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a67 n PRO 72 N -0.10 2.55 -0.37 0.00 -0.04 -1.10 -3.74 135.00 132.19 1a67 n PRO 72 Ca -0.11 -2.68 0.05 0.00 -0.04 0.00 0.00 63.50 60.72 1a67 n PRO 72 Cb 0.63 -3.36 -0.01 0.00 -0.04 0.00 0.00 33.50 30.71 1a67 n PRO 72 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1a67 n LYS 73 N 7.36 -0.75 -2.36 0.54 4.81 -1.03 -4.60 118.16 122.12 1a67 n LYS 73 Ca 0.50 0.50 -0.23 0.00 -0.87 0.00 0.00 58.31 58.21 1a67 n LYS 73 Cb 0.43 -0.92 0.01 0.00 0.02 0.00 0.00 35.03 34.57 1a67 n LYS 73 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1a67 n SER 74 N -1.73 4.27 -2.72 3.14 3.41 -1.26 -4.85 113.62 113.89 1a67 n SER 74 Ca 0.00 -3.53 -0.35 0.00 -0.26 0.00 0.00 58.87 54.74 1a67 n SER 74 Cb 0.17 -0.43 0.03 0.00 -0.26 0.00 0.00 64.21 63.72 1a67 n SER 74 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1a67 n SER 75 N -0.53 6.43 0.00 4.04 2.88 -1.26 -4.94 113.62 120.24 1a67 n SER 75 Ca 0.36 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 54.11 1a67 n SER 75 Cb 0.79 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1a67 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a67 n GLY 76 N -0.53 -0.28 0.79 0.46 0.00 -1.26 -5.16 105.19 99.21 1a67 n GLY 76 Ca 0.48 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.63 1a67 n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a67 n ASP 77 N 0.00 -4.75 -2.79 1.61 2.03 -1.26 -4.81 116.55 106.58 1a67 n ASP 77 Ca 0.00 0.56 0.00 0.00 0.52 0.00 0.00 54.79 55.87 1a67 n ASP 77 Cb 0.00 -2.56 0.05 0.00 -0.72 0.00 0.00 41.12 37.90 1a67 n ASP 77 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1a67 n LEU 78 N -3.48 1.49 0.00 -2.67 4.77 -1.26 -5.01 117.00 110.84 1a67 n LEU 78 Ca -0.02 -2.99 0.00 0.00 -0.03 0.00 0.00 56.01 52.97 1a67 n LEU 78 Cb 0.37 0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1a67 n LEU 78 CO 0.02 1.02 0.00 0.00 -1.33 0.00 0.00 177.39 177.10 1a67 n GLN 79 N -0.58 0.00 0.00 3.23 1.13 -1.26 -5.08 117.38 114.82 1a67 n GLN 79 Ca 0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1a67 n GLN 79 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.16 1a67 n GLN 79 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1a67 n SER 80 N 0.00 0.00 -1.15 1.08 3.41 -1.26 -5.16 113.62 110.53 1a67 n SER 80 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1a67 n SER 80 Cb 0.00 0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 1a67 n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a67 s GLU 82 N -3.04 0.51 0.00 0.00 0.41 -1.26 -5.01 118.70 110.31 1a67 s GLU 82 Ca 0.00 0.10 0.07 0.00 -0.41 0.00 0.00 54.97 54.73 1a67 s GLU 82 Cb 0.00 0.23 0.40 0.00 -1.78 0.00 0.00 34.13 32.98 1a67 s GLU 82 CO 0.00 -0.11 0.88 1.19 -0.49 0.00 0.00 175.26 176.73 1a67 n PHE 83 N 2.09 0.00 -0.28 1.61 3.01 -1.26 -1.58 117.46 121.04 1a67 n PHE 83 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1a67 n PHE 83 Cb 0.57 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 1a67 n PHE 83 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1a67 n HIS 84 N -1.02 -0.78 -1.20 1.38 -0.00 -1.26 -3.02 115.22 109.32 1a67 n HIS 84 Ca 0.05 0.42 0.00 0.00 -0.00 0.00 0.00 57.72 58.19 1a67 n HIS 84 Cb 0.03 -1.18 0.00 0.00 -0.00 0.00 0.00 29.99 28.84 1a67 n HIS 84 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1a67 n ASP 85 N -1.48 -2.23 -1.41 0.26 -0.08 -1.26 -4.50 116.55 105.84 1a67 n ASP 85 Ca 0.00 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.46 1a67 n ASP 85 Cb 0.06 -0.46 -0.06 0.00 2.34 0.00 0.00 41.12 42.99 1a67 n ASP 85 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1a67 n GLU 86 N -2.35 -2.99 -0.07 -0.67 1.02 -1.26 -2.42 120.64 111.90 1a67 n GLU 86 Ca 0.00 2.22 -0.09 0.00 -0.02 0.00 0.00 57.16 59.27 1a67 n GLU 86 Cb 0.14 -3.60 -0.07 0.00 -0.02 0.00 0.00 31.44 27.89 1a67 n GLU 86 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1a67 h PRO 87 N -1.39 0.00 -0.75 3.49 0.13 -1.95 -1.48 132.00 130.06 1a67 h PRO 87 Ca -0.08 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.11 1a67 h PRO 87 Cb 1.36 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.44 1a67 h PRO 87 CO 0.04 0.54 0.44 0.93 -0.23 0.00 0.00 178.00 179.73 1a67 h GLU 88 N -1.00 0.79 -0.71 0.86 5.08 -2.00 -1.47 114.58 116.13 1a67 h GLU 88 Ca -0.04 -0.05 -0.32 0.00 -1.00 0.00 0.00 59.36 57.95 1a67 h GLU 88 Cb 0.62 -0.18 -0.19 0.00 0.50 0.00 0.00 28.75 29.50 1a67 h GLU 88 CO -0.02 0.52 0.31 -1.33 -1.00 0.00 0.00 179.01 177.50 1a67 n MET 89 N -4.71 2.51 -2.22 2.33 0.00 -1.25 -4.99 117.12 108.79 1a67 n MET 89 Ca 0.10 -3.07 -0.32 0.00 0.00 0.00 0.00 57.70 54.41 1a67 n MET 89 Cb 0.17 -2.06 -0.02 0.00 0.00 0.00 0.00 33.22 31.31 1a67 n MET 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1a67 s ALA 90 N -3.19 3.02 0.00 3.04 0.00 -0.56 -4.66 121.76 119.42 1a67 s ALA 90 Ca 0.52 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1a67 s ALA 90 Cb 0.44 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1a67 s ALA 90 CO 0.08 -0.43 0.00 1.63 0.00 0.00 0.00 175.76 177.05 1a67 n LYS 91 N -1.92 1.63 0.00 0.00 5.02 -1.26 -5.00 118.16 116.63 1a67 n LYS 91 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1a67 n LYS 91 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1a67 n LYS 91 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1a67 n TYR 92 N 0.00 0.00 -3.57 2.13 4.01 -1.26 -4.94 117.16 113.53 1a67 n TYR 92 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1a67 n TYR 92 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 1a67 n TYR 92 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1a67 s THR 93 N -1.90 -0.90 0.25 -0.72 -4.23 0.29 -4.89 115.64 103.53 1a67 s THR 93 Ca 0.00 0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 60.45 1a67 s THR 93 Cb 0.00 -0.92 -0.07 0.00 1.34 0.00 0.00 72.50 72.85 1a67 s THR 93 CO 0.00 0.01 0.57 0.28 -0.54 0.00 0.00 174.62 174.94 1a67 s THR 94 N 2.81 4.92 0.15 3.99 -1.32 -1.26 0.02 115.64 124.96 1a67 s THR 94 Ca -0.00 0.45 -0.13 0.00 -1.21 0.00 0.00 61.69 60.80 1a67 s THR 94 Cb -0.13 -3.64 0.01 0.00 -1.51 0.00 0.00 72.50 67.24 1a67 s THR 94 CO -0.18 -0.14 0.37 0.00 -2.21 0.00 0.00 174.62 172.47 1a67 s THR 96 N -3.88 -0.15 0.57 0.00 2.01 0.70 -0.33 115.64 114.55 1a67 s THR 96 Ca 0.09 -0.19 -0.17 0.00 0.31 0.00 0.00 61.69 61.73 1a67 s THR 96 Cb 0.02 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 1a67 s THR 96 CO -0.05 -0.29 1.06 -0.36 -0.69 0.00 0.00 174.62 174.28 1a67 s PHE 97 N 2.19 2.94 -0.17 4.92 0.08 0.77 -0.76 117.98 127.95 1a67 s PHE 97 Ca 0.04 1.53 -0.04 0.00 0.12 0.00 0.00 56.93 58.58 1a67 s PHE 97 Cb -0.16 -3.06 0.06 0.00 -0.57 0.00 0.00 43.02 39.29 1a67 s PHE 97 CO -0.12 -1.12 0.06 0.08 -0.10 0.00 0.00 175.22 174.01 1a67 s VAL 98 N -2.27 0.24 0.38 -0.44 1.01 -1.06 -1.28 120.40 116.98 1a67 s VAL 98 Ca 0.66 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.41 1a67 s VAL 98 Cb -0.17 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1a67 s VAL 98 CO 0.32 -0.18 0.43 -0.69 0.00 0.00 0.00 175.10 174.98 1a67 s VAL 99 N 1.99 3.22 -0.02 2.92 1.01 -0.05 -1.39 120.40 128.08 1a67 s VAL 99 Ca 0.01 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.84 1a67 s VAL 99 Cb -0.16 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 1a67 s VAL 99 CO -0.08 -0.07 -0.11 -0.47 0.00 0.00 0.00 175.10 174.38 1a67 s TYR 100 N -2.34 1.02 -0.21 5.22 6.14 -0.47 -1.14 117.35 125.56 1a67 s TYR 100 Ca 0.48 -0.23 -0.08 0.00 0.64 0.00 0.00 57.07 57.89 1a67 s TYR 100 Cb -0.07 -0.69 0.09 0.00 0.42 0.00 0.00 41.96 41.71 1a67 s TYR 100 CO 0.30 -0.06 0.45 0.45 0.64 0.00 0.00 175.55 177.33 1a67 s SER 101 N -0.06 -0.40 -0.30 4.32 0.15 -0.37 -1.08 113.70 115.96 1a67 s SER 101 Ca 0.01 1.06 -0.00 0.00 0.70 0.00 0.00 55.95 57.72 1a67 s SER 101 Cb -0.06 1.39 0.19 0.00 -1.71 0.00 0.00 66.02 65.83 1a67 s SER 101 CO 0.00 -0.23 0.70 -0.63 1.20 0.00 0.00 173.24 174.29 1a67 s ILE 102 N 2.49 -0.83 -1.05 6.45 1.01 -0.46 -1.60 121.20 127.20 1a67 s ILE 102 Ca -0.03 0.00 0.27 0.00 0.00 0.00 0.00 60.65 60.89 1a67 s ILE 102 Cb -0.11 -0.90 0.12 0.00 0.01 0.00 0.00 42.46 41.58 1a67 s ILE 102 CO -0.14 0.00 1.64 -0.81 0.00 0.00 0.00 174.94 175.63 1a67 n PRO 103 N 5.39 0.05 0.03 2.79 -0.04 -1.26 0.11 135.00 142.07 1a67 n PRO 103 Ca 0.02 -0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1a67 n PRO 103 Cb 0.54 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.96 1a67 n PRO 103 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1a67 n TRP 104 N -1.46 0.21 -1.99 0.54 -0.00 -1.26 -3.99 117.44 109.50 1a67 n TRP 104 Ca 0.07 0.07 0.00 0.00 -0.00 0.00 0.00 57.50 57.64 1a67 n TRP 104 Cb 0.33 -0.62 0.00 0.00 -0.00 0.00 0.00 31.31 31.03 1a67 n TRP 104 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1a67 n LEU 105 N -1.68 0.00 -1.38 5.67 4.77 -1.26 -5.05 117.00 118.08 1a67 n LEU 105 Ca 0.05 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1a67 n LEU 105 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1a67 n LEU 105 CO 0.22 0.67 0.00 -3.20 -1.33 0.00 0.00 177.39 173.75 1a67 n ASN 106 N 0.00 -1.83 -3.59 -1.43 2.85 -1.24 -5.10 115.26 104.91 1a67 n ASN 106 Ca 0.00 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.32 1a67 n ASN 106 Cb 0.58 -0.92 -0.06 0.00 1.24 0.00 0.00 39.78 40.62 1a67 n ASN 106 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1a67 s GLN 107 N -2.30 0.97 0.00 1.20 2.00 0.12 -5.02 119.66 116.63 1a67 s GLN 107 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 55.36 53.30 1a67 s GLN 107 Cb 0.00 0.45 0.00 0.00 0.80 0.00 0.00 33.01 34.26 1a67 s GLN 107 CO 0.00 -0.32 0.00 1.51 -0.50 0.00 0.00 175.29 175.98 1a67 n ILE 108 N 0.74 0.00 -3.31 -2.34 0.00 -1.26 -1.36 119.36 111.84 1a67 n ILE 108 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.56 1a67 n ILE 108 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.22 1a67 n ILE 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1a67 n LYS 109 N 0.00 0.00 -3.55 9.51 5.02 -0.24 -4.93 118.16 123.97 1a67 n LYS 109 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1a67 n LYS 109 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 1a67 n LYS 109 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1a67 s LEU 110 N 0.00 1.88 0.04 -0.35 2.96 -1.26 -1.37 118.68 120.58 1a67 s LEU 110 Ca 0.00 -2.67 -0.08 0.00 -0.22 0.00 0.00 54.13 51.17 1a67 s LEU 110 Cb 0.00 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.98 1a67 s LEU 110 CO 0.00 -0.24 1.04 -0.11 -1.32 0.00 0.00 176.35 175.72 1a67 n LEU 111 N 3.43 -0.26 0.00 -0.68 -0.00 -0.49 -4.92 117.00 114.08 1a67 n LEU 111 Ca 0.16 1.10 0.00 0.00 -0.00 0.00 0.00 56.01 57.27 1a67 n LEU 111 Cb 0.39 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1a67 n LEU 111 CO 0.17 -0.69 0.00 -1.84 -0.00 0.00 0.00 177.39 175.03 1a67 n GLU 112 N -3.51 -1.95 -3.51 1.96 0.28 -1.24 -5.02 120.64 107.65 1a67 n GLU 112 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.59 1a67 n GLU 112 Cb 0.06 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.86 1a67 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1a67 s SER 113 N -3.54 5.87 -1.01 -1.84 1.04 -1.26 -2.56 113.70 110.40 1a67 s SER 113 Ca 0.00 -2.15 -0.23 0.00 0.48 0.00 0.00 55.95 54.05 1a67 s SER 113 Cb 0.00 -2.05 -0.02 0.00 0.10 0.00 0.00 66.02 64.05 1a67 s SER 113 CO 0.00 -0.66 1.80 -0.54 0.98 0.00 0.00 173.24 174.82 1a67 s LYS 114 N 1.02 2.93 0.14 4.02 1.02 0.06 -4.73 119.74 124.20 1a67 s LYS 114 Ca 0.09 -0.78 0.08 0.00 0.02 0.00 0.00 55.97 55.38 1a67 s LYS 114 Cb -0.23 -5.21 -0.04 0.00 -0.52 0.00 0.00 37.83 31.83 1a67 s LYS 114 CO -0.02 -3.08 -0.19 0.00 -0.92 0.00 0.00 175.35 171.14