#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 -0.59 0.31 4.61 0.00 -1.26 -5.14 121.76 119.69 1a67 s ALA 10 Ca 0.00 -0.81 -0.24 0.00 0.00 0.00 0.00 51.96 50.91 1a67 s ALA 10 Cb 0.00 0.75 -0.10 0.00 0.00 0.00 0.00 23.12 23.78 1a67 s ALA 10 CO 0.00 -0.97 0.89 -1.25 0.00 0.00 0.00 175.76 174.43 1a67 s PRO 11 N -2.56 4.45 0.06 0.00 0.04 -1.26 -4.81 135.00 130.92 1a67 s PRO 11 Ca 0.17 1.18 -0.07 0.00 0.04 0.00 0.00 61.00 62.32 1a67 s PRO 11 Cb -0.05 -2.75 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 1a67 s PRO 11 CO 0.12 0.27 0.13 0.14 0.04 0.00 0.00 177.00 177.70 1a67 s VAL 12 N -1.66 0.15 0.32 -0.36 -7.23 -1.05 -5.02 120.40 105.54 1a67 s VAL 12 Ca 0.50 -1.23 -0.25 0.00 -1.81 0.00 0.00 61.98 59.19 1a67 s VAL 12 Cb -0.17 -1.19 -0.10 0.00 0.56 0.00 0.00 36.38 35.48 1a67 s VAL 12 CO 0.22 -0.68 0.93 -2.16 -0.31 0.00 0.00 175.10 173.09 1a67 s PRO 13 N -3.36 4.53 -0.13 4.82 0.04 -1.26 -1.76 135.00 137.88 1a67 s PRO 13 Ca 0.01 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.32 1a67 s PRO 13 Cb 0.03 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 1a67 s PRO 13 CO -0.08 0.27 -0.11 0.08 0.04 0.00 0.00 177.00 177.20 1a67 s VAL 14 N -1.65 3.25 -0.49 -0.36 1.01 -1.19 -4.89 120.40 116.08 1a67 s VAL 14 Ca 0.50 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1a67 s VAL 14 Cb -0.18 -2.37 0.38 0.00 0.00 0.00 0.00 36.38 34.22 1a67 s VAL 14 CO 0.23 0.52 1.01 -0.90 0.00 0.00 0.00 175.10 175.96 1a67 n ASP 15 N 3.41 4.16 -1.90 3.32 5.75 -1.26 -4.78 116.55 125.25 1a67 n ASP 15 Ca -0.18 -3.60 -0.15 0.00 -0.01 0.00 0.00 54.79 50.86 1a67 n ASP 15 Cb 0.53 -0.52 0.01 0.00 -1.03 0.00 0.00 41.12 40.11 1a67 n ASP 15 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1a67 n GLU 16 N -0.31 -2.36 -0.07 0.11 4.07 -1.26 -4.90 120.64 115.92 1a67 n GLU 16 Ca 0.33 0.65 -0.14 0.00 -0.06 0.00 0.00 57.16 57.94 1a67 n GLU 16 Cb 0.55 -4.93 -0.02 0.00 -0.06 0.00 0.00 31.44 26.99 1a67 n GLU 16 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1a67 h ASN 17 N -0.53 0.92 -3.64 4.31 2.35 -1.97 -3.40 115.58 113.63 1a67 h ASN 17 Ca -0.35 -0.49 -0.67 0.00 -0.55 0.00 0.00 56.30 54.24 1a67 h ASN 17 Cb 1.25 -0.26 -0.18 0.00 0.05 0.00 0.00 38.32 39.18 1a67 h ASN 17 CO 0.39 1.27 -0.30 -0.62 -1.65 0.00 0.00 177.43 176.53 1a67 s ASP 18 N -6.93 6.17 0.32 5.81 2.15 -1.26 -4.93 116.67 117.99 1a67 s ASP 18 Ca -0.10 -0.36 0.05 0.00 0.43 0.00 0.00 52.55 52.57 1a67 s ASP 18 Cb 0.10 -2.19 0.54 0.00 -0.30 0.00 0.00 42.92 41.07 1a67 s ASP 18 CO 0.88 -0.38 1.79 -0.08 -0.17 0.00 0.00 175.17 177.22 1a67 h GLU 19 N 8.52 0.39 0.00 4.34 4.57 -2.02 -1.65 114.58 128.73 1a67 h GLU 19 Ca -0.29 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1a67 h GLU 19 Cb 1.14 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1a67 h GLU 19 CO 0.71 0.58 0.00 0.41 -1.18 0.00 0.00 179.01 179.53 1a67 n GLY 20 N -0.56 -0.92 0.15 1.92 0.00 -1.26 -2.11 105.19 102.42 1a67 n GLY 20 Ca -0.00 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1a67 n GLY 20 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a67 n LEU 21 N -2.06 0.54 0.05 0.99 7.94 -0.62 -1.60 117.00 122.24 1a67 n LEU 21 Ca 0.00 0.75 0.05 0.00 -1.11 0.00 0.00 56.01 55.70 1a67 n LEU 21 Cb 0.09 -0.81 0.24 0.00 0.53 0.00 0.00 43.42 43.47 1a67 n LEU 21 CO 0.11 -0.92 0.65 1.67 -1.11 0.00 0.00 177.39 177.79 1a67 n GLN 22 N -2.22 0.05 -0.07 1.96 0.00 -0.89 -2.22 117.38 113.98 1a67 n GLN 22 Ca -0.01 0.50 -0.09 0.00 -0.00 0.00 0.00 57.00 57.40 1a67 n GLN 22 Cb 0.04 -1.66 -0.06 0.00 0.00 0.00 0.00 30.24 28.56 1a67 n GLN 22 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 1a67 h ARG 23 N 0.00 0.00 -0.58 3.69 2.43 -1.58 -3.30 114.38 115.05 1a67 h ARG 23 Ca 0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1a67 h ARG 23 Cb 0.06 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 1a67 h ARG 23 CO 0.00 0.50 0.28 0.00 -1.51 0.00 0.00 179.97 179.24 1a67 h ALA 24 N -0.59 0.76 -1.02 2.80 0.00 -1.68 -0.33 119.26 119.21 1a67 h ALA 24 Ca -0.06 0.04 0.28 0.00 0.00 0.00 0.00 54.91 55.17 1a67 h ALA 24 Cb 0.63 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1a67 h ALA 24 CO -0.04 -0.08 0.71 1.25 0.00 0.00 0.00 179.25 181.09 1a67 h LEU 25 N 0.53 0.15 0.03 0.00 5.85 -1.59 0.60 115.31 120.88 1a67 h LEU 25 Ca 0.27 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1a67 h LEU 25 Cb 0.22 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1a67 h LEU 25 CO -0.21 0.04 -0.01 1.56 -0.34 0.00 0.00 178.44 179.48 1a67 h GLN 26 N 0.14 -0.04 -0.87 1.25 4.20 -1.13 -2.97 115.11 115.69 1a67 h GLN 26 Ca 0.51 0.00 0.30 0.00 0.06 0.00 0.00 58.65 59.53 1a67 h GLN 26 Cb 1.77 0.01 -0.16 0.00 0.30 0.00 0.00 27.48 29.40 1a67 h GLN 26 CO -0.09 0.39 0.25 0.34 -0.67 0.00 0.00 178.83 179.05 1a67 n PHE 27 N -4.90 0.80 -0.06 2.96 -0.00 0.19 0.13 117.46 116.58 1a67 n PHE 27 Ca -0.08 1.04 -0.12 0.00 -0.00 0.00 0.00 57.45 58.28 1a67 n PHE 27 Cb 0.23 -1.30 -0.06 0.00 -0.00 0.00 0.00 39.48 38.35 1a67 n PHE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1a67 h ALA 28 N 1.74 0.23 -0.37 3.13 0.00 -1.42 -2.29 119.26 120.28 1a67 h ALA 28 Ca 0.64 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.35 1a67 h ALA 28 Cb 1.54 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 1a67 h ALA 28 CO -0.74 0.03 -0.04 0.52 0.00 0.00 0.00 179.25 179.02 1a67 h MET 29 N 0.03 0.06 -0.00 0.00 2.86 0.11 -1.48 114.93 116.51 1a67 h MET 29 Ca 0.04 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1a67 h MET 29 Cb 0.53 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1a67 h MET 29 CO 0.02 0.04 0.00 0.00 1.06 0.00 0.00 176.91 178.03 1a67 h ALA 30 N 1.34 0.00 -1.08 6.32 0.00 -1.34 -0.68 119.26 123.82 1a67 h ALA 30 Ca 0.18 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.37 1a67 h ALA 30 Cb 0.26 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 1a67 h ALA 30 CO -0.33 -0.49 0.69 0.93 0.00 0.00 0.00 179.25 180.05 1a67 h GLU 31 N -0.02 0.33 -0.39 0.00 4.39 -0.79 0.79 114.58 118.89 1a67 h GLU 31 Ca 0.00 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 1a67 h GLU 31 Cb 0.02 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1a67 h GLU 31 CO -0.00 0.22 -0.34 -0.92 -1.16 0.00 0.00 179.01 176.81 1a67 h TYR 32 N 0.34 1.06 -0.83 4.33 3.20 -0.15 -1.61 116.97 123.31 1a67 h TYR 32 Ca 0.64 -0.30 0.10 0.00 3.14 0.00 0.00 58.73 62.32 1a67 h TYR 32 Cb 1.68 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 39.66 1a67 h TYR 32 CO -0.00 1.10 0.54 -2.95 -1.64 0.00 0.00 178.16 175.21 1a67 h ASN 33 N 0.75 0.69 0.58 -2.11 -1.07 0.17 -0.46 115.58 114.12 1a67 h ASN 33 Ca 0.07 0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.47 1a67 h ASN 33 Cb 0.91 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 37.04 1a67 h ASN 33 CO 0.08 0.40 -0.70 -1.14 0.07 0.00 0.00 177.43 176.14 1a67 n ARG 34 N -4.52 0.17 0.07 4.14 0.63 -0.95 -3.88 116.66 112.32 1a67 n ARG 34 Ca 0.14 0.03 0.13 0.00 -0.92 0.00 0.00 57.85 57.23 1a67 n ARG 34 Cb 0.35 -1.58 0.37 0.00 0.45 0.00 0.00 32.46 32.04 1a67 n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a67 n ALA 35 N -1.69 2.56 0.99 5.13 0.00 -0.21 -3.42 120.51 123.87 1a67 n ALA 35 Ca 0.04 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1a67 n ALA 35 Cb 0.39 -1.36 0.50 0.00 0.00 0.00 0.00 19.45 18.98 1a67 n ALA 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1a67 n SER 36 N -2.04 0.00 0.00 0.00 2.88 -1.01 -4.78 113.62 108.67 1a67 n SER 36 Ca 0.05 -0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1a67 n SER 36 Cb 0.41 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1a67 n SER 36 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1a67 n ASN 37 N -1.18 0.00 -3.19 -3.46 4.05 -1.22 -4.25 115.26 106.00 1a67 n ASN 37 Ca 0.11 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.14 1a67 n ASN 37 Cb 0.12 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.13 1a67 n ASN 37 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1a67 n ASP 38 N 0.45 -0.60 -2.12 1.20 5.75 -1.26 -4.93 116.55 115.04 1a67 n ASP 38 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 1a67 n ASP 38 Cb 0.00 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 1a67 n ASP 38 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1a67 n LYS 39 N -0.60 3.13 -3.60 0.11 2.85 -1.26 -5.05 118.16 113.75 1a67 n LYS 39 Ca 0.00 -3.98 -0.05 0.00 -1.05 0.00 0.00 58.31 53.23 1a67 n LYS 39 Cb 0.00 -2.10 -0.03 0.00 -0.65 0.00 0.00 35.03 32.25 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 -3.59 -0.14 -0.15 5.58 2.02 -1.26 -2.50 117.35 117.31 1a67 s TYR 40 Ca 0.46 0.13 0.00 0.00 -0.37 0.00 0.00 57.07 57.29 1a67 s TYR 40 Cb 0.39 0.51 0.00 0.00 -0.40 0.00 0.00 41.96 42.46 1a67 s TYR 40 CO 0.02 -0.20 0.00 0.43 -1.57 0.00 0.00 175.55 174.23 1a67 n SER 41 N 0.07 -3.70 -4.13 2.29 7.64 0.21 -4.79 113.62 111.21 1a67 n SER 41 Ca -0.01 0.04 -0.33 0.00 1.01 0.00 0.00 58.87 59.58 1a67 n SER 41 Cb 0.58 -1.33 -0.16 0.00 -1.01 0.00 0.00 64.21 62.30 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 -2.26 3.37 -0.27 6.43 0.01 -1.26 -2.43 113.70 117.29 1a67 s SER 42 Ca 0.00 -0.71 -0.25 0.00 1.31 0.00 0.00 55.95 56.30 1a67 s SER 42 Cb 0.00 -1.51 0.07 0.00 0.21 0.00 0.00 66.02 64.79 1a67 s SER 42 CO 0.00 -0.02 0.75 0.00 0.41 0.00 0.00 173.24 174.37 1a67 s ARG 43 N 1.29 0.81 0.47 12.44 1.70 -0.44 -4.54 118.95 130.68 1a67 s ARG 43 Ca 0.04 0.97 -0.05 0.00 -0.47 0.00 0.00 55.73 56.22 1a67 s ARG 43 Cb -0.14 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 1a67 s ARG 43 CO -0.11 -0.10 0.76 0.54 -1.08 0.00 0.00 175.30 175.31 1a67 s VAL 44 N 0.37 4.93 0.02 4.99 0.11 -1.26 -1.31 120.40 128.25 1a67 s VAL 44 Ca 0.00 0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 1a67 s VAL 44 Cb -0.05 -3.87 -0.00 0.00 -1.53 0.00 0.00 36.38 30.93 1a67 s VAL 44 CO 0.00 -0.83 -0.02 0.52 -3.33 0.00 0.00 175.10 171.45 1a67 n VAL 45 N -2.22 0.40 -3.60 2.04 0.31 -1.09 -4.81 118.33 109.37 1a67 n VAL 45 Ca 0.00 0.17 -0.05 0.00 -0.01 0.00 0.00 64.34 64.45 1a67 n VAL 45 Cb 0.55 -1.29 -0.03 0.00 -0.91 0.00 0.00 33.84 32.16 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 -1.36 0.34 0.47 5.55 6.06 -1.25 -5.04 118.95 123.71 1a67 s ARG 46 Ca -0.02 -0.03 -0.22 0.00 -2.50 0.00 0.00 55.73 52.97 1a67 s ARG 46 Cb 0.00 0.16 -0.08 0.00 0.06 0.00 0.00 34.95 35.09 1a67 s ARG 46 CO 0.02 -0.13 1.08 0.54 -2.50 0.00 0.00 175.30 174.32 1a67 s VAL 47 N -1.76 3.53 -0.10 7.11 0.11 -1.26 -2.66 120.40 125.37 1a67 s VAL 47 Ca 0.06 1.05 0.18 0.00 -2.93 0.00 0.00 61.98 60.35 1a67 s VAL 47 Cb -0.01 -3.48 -0.27 0.00 -1.53 0.00 0.00 36.38 31.09 1a67 s VAL 47 CO -0.04 -0.11 0.27 -0.38 -3.33 0.00 0.00 175.10 171.50 1a67 n ILE 48 N -0.69 0.59 0.00 7.04 -0.00 -0.40 -4.90 119.36 121.00 1a67 n ILE 48 Ca 0.08 -0.61 0.00 0.00 -0.00 0.00 0.00 62.75 62.22 1a67 n ILE 48 Cb 0.51 -0.21 0.00 0.00 -0.00 0.00 0.00 39.64 39.93 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 -2.42 0.00 -3.66 4.38 2.88 -1.26 -4.98 113.62 108.56 1a67 n SER 49 Ca -0.16 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.32 1a67 n SER 49 Cb 0.79 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.17 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 -1.41 0.19 -1.46 0.00 -1.26 -3.25 121.76 112.57 1a67 s ALA 50 Ca 0.00 1.75 0.11 0.00 0.00 0.00 0.00 51.96 53.82 1a67 s ALA 50 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1a67 s ALA 50 CO 0.00 -0.78 -0.22 0.15 0.00 0.00 0.00 175.76 174.91 1a67 s LYS 51 N 2.63 1.47 -0.03 0.00 1.02 -0.65 -3.16 119.74 121.02 1a67 s LYS 51 Ca -0.03 -1.52 0.07 0.00 0.02 0.00 0.00 55.97 54.51 1a67 s LYS 51 Cb -0.12 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.46 1a67 s LYS 51 CO -0.15 0.36 -0.23 -0.98 -0.92 0.00 0.00 175.35 173.44 1a67 s ARG 52 N -2.76 2.00 0.29 1.68 1.70 -0.72 -0.84 118.95 120.30 1a67 s ARG 52 Ca 0.20 -0.83 0.05 0.00 -0.47 0.00 0.00 55.73 54.68 1a67 s ARG 52 Cb -0.07 -1.87 -0.06 0.00 -0.57 0.00 0.00 34.95 32.38 1a67 s ARG 52 CO 0.09 0.47 0.00 -0.65 -1.08 0.00 0.00 175.30 174.13 1a67 s GLN 53 N -0.45 1.55 0.11 3.89 -0.21 -0.46 -2.54 119.66 121.55 1a67 s GLN 53 Ca 0.06 -1.82 0.10 0.00 0.02 0.00 0.00 55.36 53.72 1a67 s GLN 53 Cb -0.10 -0.93 -0.04 0.00 1.00 0.00 0.00 33.01 32.94 1a67 s GLN 53 CO 0.00 -0.08 -0.25 -0.48 -2.12 0.00 0.00 175.29 172.35 1a67 s LEU 54 N -3.44 2.36 -0.47 2.90 2.34 -1.26 -0.79 118.68 120.32 1a67 s LEU 54 Ca 0.32 -0.69 0.05 0.00 0.06 0.00 0.00 54.13 53.88 1a67 s LEU 54 Cb 0.06 -1.29 0.26 0.00 -0.56 0.00 0.00 46.19 44.66 1a67 s LEU 54 CO 0.13 0.19 0.96 1.33 -1.06 0.00 0.00 176.35 177.90 1a67 n VAL 55 N 1.05 0.00 0.00 1.48 0.24 -1.26 -4.91 118.33 114.93 1a67 n VAL 55 Ca -0.17 -1.42 0.00 0.00 -2.04 0.00 0.00 64.34 60.70 1a67 n VAL 55 Cb 0.53 1.46 0.00 0.00 -1.47 0.00 0.00 33.84 34.36 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 1.42 0.00 0.00 -1.34 2.88 -1.26 -4.83 113.62 110.49 1a67 n SER 56 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1a67 n SER 56 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 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 6.01 3.77 0.46 0.00 -1.26 -5.07 105.19 109.09 1a67 n GLY 57 Ca 0.00 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 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 1.15 4.29 0.01 -0.61 1.01 -0.69 -4.46 121.20 121.90 1a67 s ILE 58 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.46 1a67 s ILE 58 Cb 0.00 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1a67 s ILE 58 CO 0.00 -0.13 -0.02 -0.75 0.00 0.00 0.00 174.94 174.04 1a67 s LYS 59 N -3.11 0.19 0.16 2.79 2.20 0.03 -0.67 119.74 121.33 1a67 s LYS 59 Ca 0.30 -0.36 0.10 0.00 -0.36 0.00 0.00 55.97 55.65 1a67 s LYS 59 Cb -0.10 0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 1a67 s LYS 59 CO 0.22 -0.03 -0.18 0.71 -0.36 0.00 0.00 175.35 175.72 1a67 s TYR 60 N -0.86 2.47 -0.13 4.03 1.51 -0.47 -1.36 117.35 122.54 1a67 s TYR 60 Ca -0.09 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 1a67 s TYR 60 Cb -0.06 -1.25 0.05 0.00 -0.11 0.00 0.00 41.96 40.58 1a67 s TYR 60 CO -0.01 0.46 0.06 0.96 -1.11 0.00 0.00 175.55 175.91 1a67 s ILE 61 N -1.48 0.10 -0.02 2.71 -4.36 -0.02 -0.83 121.20 117.30 1a67 s ILE 61 Ca 0.21 -0.07 0.06 0.00 -0.26 0.00 0.00 60.65 60.59 1a67 s ILE 61 Cb -0.09 -0.57 -0.02 0.00 1.25 0.00 0.00 42.46 43.03 1a67 s ILE 61 CO 0.11 -0.08 -0.20 -1.48 0.24 0.00 0.00 174.94 173.53 1a67 s LEU 62 N 2.06 2.42 -0.42 0.37 2.34 -0.59 -1.63 118.68 123.23 1a67 s LEU 62 Ca 0.03 -0.34 -0.06 0.00 0.06 0.00 0.00 54.13 53.81 1a67 s LEU 62 Cb -0.15 -1.45 0.10 0.00 -0.56 0.00 0.00 46.19 44.13 1a67 s LEU 62 CO -0.07 0.32 0.24 -1.10 -1.06 0.00 0.00 176.35 174.68 1a67 s GLN 63 N -0.78 2.28 0.22 1.48 -0.21 -1.20 -0.84 119.66 120.62 1a67 s GLN 63 Ca 0.11 -1.69 -0.08 0.00 0.02 0.00 0.00 55.36 53.72 1a67 s GLN 63 Cb -0.10 -3.69 -0.06 0.00 1.00 0.00 0.00 33.01 30.15 1a67 s GLN 63 CO 0.00 -1.05 0.51 0.14 -2.12 0.00 0.00 175.29 172.78 1a67 s VAL 64 N 1.27 5.00 -0.80 1.09 -7.23 0.19 -1.28 120.40 118.63 1a67 s VAL 64 Ca 0.05 0.30 -0.09 0.00 -1.81 0.00 0.00 61.98 60.43 1a67 s VAL 64 Cb -0.24 -3.64 0.21 0.00 0.56 0.00 0.00 36.38 33.27 1a67 s VAL 64 CO -0.02 -0.10 0.70 -0.70 -0.31 0.00 0.00 175.10 174.68 1a67 s GLU 65 N -2.94 3.31 -0.05 4.82 2.12 -1.09 -0.69 118.70 124.19 1a67 s GLU 65 Ca 0.45 -2.66 -0.11 0.00 0.36 0.00 0.00 54.97 53.01 1a67 s GLU 65 Cb -0.11 -4.17 -0.05 0.00 0.26 0.00 0.00 34.13 30.05 1a67 s GLU 65 CO 0.24 -1.25 0.29 0.96 -0.54 0.00 0.00 175.26 174.96 1a67 s ILE 66 N -0.23 5.24 0.43 -3.70 -4.36 0.94 -2.67 121.20 116.84 1a67 s ILE 66 Ca 0.20 0.56 0.04 0.00 -0.26 0.00 0.00 60.65 61.20 1a67 s ILE 66 Cb -0.13 -3.58 -0.05 0.00 1.25 0.00 0.00 42.46 39.95 1a67 s ILE 66 CO -0.07 0.59 0.03 -0.83 0.24 0.00 0.00 174.94 174.90 1a67 s GLY 67 N -1.07 2.62 -0.04 6.27 0.00 -0.42 0.13 107.32 114.81 1a67 s GLY 67 Ca 0.20 -1.55 -0.02 0.00 0.00 0.00 0.00 44.72 43.35 1a67 s GLY 67 CO 0.09 -2.07 0.09 0.50 0.00 0.00 0.00 173.10 171.72 1a67 s ARG 68 N -3.79 3.18 0.52 2.90 0.52 -1.24 -1.32 118.95 119.71 1a67 s ARG 68 Ca 0.25 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 1a67 s ARG 68 Cb 0.06 -2.95 0.01 0.00 0.52 0.00 0.00 34.95 32.60 1a67 s ARG 68 CO 0.12 0.69 0.19 0.95 0.02 0.00 0.00 175.30 177.27 1a67 s THR 69 N -1.12 1.43 -0.36 0.02 -4.23 -1.02 -4.06 115.64 106.30 1a67 s THR 69 Ca 0.20 -1.76 0.08 0.00 -1.18 0.00 0.00 61.69 59.03 1a67 s THR 69 Cb -0.12 -2.19 0.72 0.00 1.34 0.00 0.00 72.50 72.25 1a67 s THR 69 CO 0.10 0.00 1.84 0.35 -0.54 0.00 0.00 174.62 176.37 1a67 n THR 70 N -1.49 3.02 -3.88 3.99 -2.24 -0.67 0.65 114.28 113.66 1a67 n THR 70 Ca -0.11 -1.76 -0.09 0.00 -2.27 0.00 0.00 64.05 59.82 1a67 n THR 70 Cb 0.66 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.24 3.35 0.00 0.00 -0.04 -1.04 -3.49 135.00 133.54 1a67 n PRO 72 Ca -0.09 -2.70 0.00 0.00 -0.04 0.00 0.00 63.50 60.67 1a67 n PRO 72 Cb 0.63 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1a67 n PRO 72 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1a67 n LYS 73 N 4.70 0.00 0.00 0.54 2.85 -1.26 -4.71 118.16 120.28 1a67 n LYS 73 Ca 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.84 1a67 n LYS 73 Cb 0.33 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 1a67 n LYS 73 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1a67 n SER 74 N -0.03 0.00 -1.38 -5.58 2.88 -0.94 -4.84 113.62 103.72 1a67 n SER 74 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1a67 n SER 74 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1a67 n SER 74 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1a67 n SER 75 N 0.00 -1.00 0.00 -3.46 3.41 -1.26 -5.01 113.62 106.30 1a67 n SER 75 Ca 0.00 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 1a67 n SER 75 Cb 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1a67 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a67 n GLY 76 N -0.31 1.38 0.00 5.00 0.00 -1.26 -5.11 105.19 104.90 1a67 n GLY 76 Ca -0.24 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 -1.16 1.61 2.03 -1.26 -5.05 116.55 112.72 1a67 n ASP 77 Ca 0.00 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.45 1a67 n ASP 77 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.53 -0.61 0.00 -2.67 4.77 -1.26 -4.32 117.00 111.39 1a67 n LEU 78 Ca 0.00 1.37 0.00 0.00 -0.03 0.00 0.00 56.01 57.35 1a67 n LEU 78 Cb 0.00 -3.69 0.00 0.00 -2.33 0.00 0.00 43.42 37.40 1a67 n LEU 78 CO 0.00 -2.46 0.00 0.00 -1.33 0.00 0.00 177.39 173.60 1a67 n GLN 79 N -3.55 0.00 0.00 3.23 3.00 -1.26 -3.85 117.38 114.95 1a67 n GLN 79 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1a67 n GLN 79 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 30.24 30.86 1a67 n GLN 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1a67 n SER 80 N -1.57 0.00 -0.92 1.08 2.88 -1.26 -2.21 113.62 111.62 1a67 n SER 80 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1a67 n SER 80 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1a67 n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a67 s GLU 82 N -1.39 0.83 -0.09 0.00 8.01 -1.26 -5.03 118.70 119.78 1a67 s GLU 82 Ca 0.00 -1.27 -0.01 0.00 0.01 0.00 0.00 54.97 53.69 1a67 s GLU 82 Cb 0.00 -0.30 -0.00 0.00 -4.31 0.00 0.00 34.13 29.52 1a67 s GLU 82 CO 0.00 0.01 2.34 1.19 0.01 0.00 0.00 175.26 178.81 1a67 n PHE 83 N 0.16 0.38 -1.40 1.61 3.01 -1.26 -1.67 117.46 118.29 1a67 n PHE 83 Ca -0.13 -1.33 0.00 0.00 1.01 0.00 0.00 57.45 57.00 1a67 n PHE 83 Cb 0.60 -0.84 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 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 1.43 0.00 0.00 1.38 -0.00 -1.26 -4.58 115.22 112.19 1a67 n HIS 84 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 1a67 n HIS 84 Cb 0.59 -1.40 0.00 0.00 -0.00 0.00 0.00 29.99 29.19 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 -0.07 0.00 -2.71 0.26 2.03 -1.26 -4.10 116.55 110.69 1a67 n ASP 85 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1a67 n ASP 85 Cb 0.00 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.48 1a67 n ASP 85 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1a67 n GLU 86 N 0.00 0.65 -1.40 -0.67 0.00 -1.26 -4.96 120.64 113.00 1a67 n GLU 86 Ca 0.00 -1.45 -0.27 0.00 0.00 0.00 0.00 57.16 55.44 1a67 n GLU 86 Cb 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 31.44 30.52 1a67 n GLU 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1a67 n PRO 87 N 0.87 2.91 0.23 5.31 -0.04 -1.26 -4.72 135.00 138.30 1a67 n PRO 87 Ca 0.04 -2.11 0.13 0.00 -0.04 0.00 0.00 63.50 61.52 1a67 n PRO 87 Cb 0.70 -2.30 0.53 0.00 -0.04 0.00 0.00 33.50 32.39 1a67 n PRO 87 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1a67 h GLU 88 N 3.63 0.00 -1.05 0.54 3.07 -1.95 0.75 114.58 119.58 1a67 h GLU 88 Ca 0.47 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.89 1a67 h GLU 88 Cb 0.82 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.32 1a67 h GLU 88 CO 0.94 0.00 -0.98 -1.33 -1.40 0.00 0.00 179.01 176.24 1a67 n MET 89 N -2.95 2.31 -3.61 2.33 2.81 -1.26 -5.06 117.12 111.69 1a67 n MET 89 Ca 0.03 -3.83 -0.02 0.00 -1.81 0.00 0.00 57.70 52.07 1a67 n MET 89 Cb 0.72 -1.77 -0.01 0.00 -0.71 0.00 0.00 33.22 31.45 1a67 n MET 89 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a67 s ALA 90 N -3.43 -2.11 -0.26 3.04 0.00 0.26 -5.07 121.76 114.20 1a67 s ALA 90 Ca 0.37 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.49 1a67 s ALA 90 Cb 0.41 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1a67 s ALA 90 CO -0.05 -0.77 0.17 1.63 0.00 0.00 0.00 175.76 176.74 1a67 n LYS 91 N -0.24 -2.25 -2.14 0.00 5.02 -1.26 -4.69 118.16 112.60 1a67 n LYS 91 Ca -0.03 1.97 -0.04 0.00 -2.02 0.00 0.00 58.31 58.19 1a67 n LYS 91 Cb 0.60 -3.84 0.01 0.00 -0.02 0.00 0.00 35.03 31.78 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 0.62 -1.35 -3.47 2.13 4.01 -1.26 -4.48 117.16 113.35 1a67 n TYR 92 Ca 0.01 -0.74 -0.00 0.00 -0.16 0.00 0.00 57.90 57.01 1a67 n TYR 92 Cb 0.29 0.32 -0.04 0.00 -0.31 0.00 0.00 39.34 39.60 1a67 n TYR 92 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1a67 s THR 93 N -2.64 -0.96 0.39 -0.72 2.01 0.35 -4.80 115.64 109.27 1a67 s THR 93 Ca 0.07 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.90 1a67 s THR 93 Cb -0.02 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.43 1a67 s THR 93 CO 0.05 0.00 0.86 0.28 -0.69 0.00 0.00 174.62 175.13 1a67 s THR 94 N 2.85 4.52 0.16 -0.82 -1.32 -1.26 -0.04 115.64 119.73 1a67 s THR 94 Ca 0.04 1.23 -0.17 0.00 -1.21 0.00 0.00 61.69 61.58 1a67 s THR 94 Cb -0.13 -3.62 0.04 0.00 -1.51 0.00 0.00 72.50 67.28 1a67 s THR 94 CO -0.19 -0.30 0.47 0.00 -2.21 0.00 0.00 174.62 172.39 1a67 s THR 96 N -3.83 -0.41 0.35 0.00 2.01 0.46 0.54 115.64 114.75 1a67 s THR 96 Ca 0.06 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.24 1a67 s THR 96 Cb 0.00 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 1a67 s THR 96 CO -0.08 0.02 0.53 -0.36 -0.69 0.00 0.00 174.62 174.04 1a67 s PHE 97 N 2.41 3.31 -0.15 4.92 0.08 -0.02 0.66 117.98 129.19 1a67 s PHE 97 Ca 0.04 0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.18 1a67 s PHE 97 Cb -0.13 -1.98 0.04 0.00 -0.57 0.00 0.00 43.02 40.38 1a67 s PHE 97 CO -0.10 0.01 -0.04 0.08 -0.10 0.00 0.00 175.22 175.07 1a67 s VAL 98 N -2.28 0.95 0.37 -0.44 1.01 -0.98 -1.54 120.40 117.48 1a67 s VAL 98 Ca 0.42 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1a67 s VAL 98 Cb -0.10 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1a67 s VAL 98 CO 0.34 0.15 0.56 -0.69 0.00 0.00 0.00 175.10 175.46 1a67 s VAL 99 N 1.71 4.42 0.10 2.92 1.01 -0.01 -1.95 120.40 128.61 1a67 s VAL 99 Ca 0.02 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1a67 s VAL 99 Cb -0.15 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1a67 s VAL 99 CO -0.08 -0.34 -0.19 -0.47 0.00 0.00 0.00 175.10 174.02 1a67 s TYR 100 N -2.34 1.68 -0.29 5.22 5.04 -0.57 -1.37 117.35 124.71 1a67 s TYR 100 Ca 0.44 -0.43 0.04 0.00 -2.44 0.00 0.00 57.07 54.67 1a67 s TYR 100 Cb -0.10 -0.91 0.18 0.00 0.35 0.00 0.00 41.96 41.48 1a67 s TYR 100 CO 0.35 0.19 0.50 0.45 -1.34 0.00 0.00 175.55 175.70 1a67 s SER 101 N -1.97 -0.63 -0.29 4.32 0.15 0.16 -1.51 113.70 113.94 1a67 s SER 101 Ca 0.06 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 56.66 1a67 s SER 101 Cb -0.09 1.57 0.18 0.00 -1.71 0.00 0.00 66.02 65.97 1a67 s SER 101 CO 0.04 -0.33 0.51 -0.63 1.20 0.00 0.00 173.24 174.03 1a67 s ILE 102 N 2.69 -0.84 -0.95 6.45 1.09 -0.68 -1.70 121.20 127.27 1a67 s ILE 102 Ca 0.10 -0.12 0.26 0.00 -1.10 0.00 0.00 60.65 59.79 1a67 s ILE 102 Cb -0.11 -0.99 0.08 0.00 -1.06 0.00 0.00 42.46 40.38 1a67 s ILE 102 CO -0.28 -0.12 1.55 -0.81 -0.10 0.00 0.00 174.94 175.18 1a67 n PRO 103 N 5.39 0.04 0.05 2.79 -0.04 -1.26 0.99 135.00 142.97 1a67 n PRO 103 Ca 0.03 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 1a67 n PRO 103 Cb 0.52 -1.53 0.44 0.00 -0.04 0.00 0.00 33.50 32.89 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 -1.60 0.37 -2.01 0.54 -0.00 -1.26 -4.09 117.44 109.39 1a67 n TRP 104 Ca 0.06 0.13 -0.02 0.00 -0.00 0.00 0.00 57.50 57.66 1a67 n TRP 104 Cb 0.35 -0.71 -0.02 0.00 -0.00 0.00 0.00 31.31 30.94 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 -1.82 -0.27 0.00 5.67 4.77 -1.26 -5.06 117.00 119.04 1a67 n LEU 105 Ca 0.04 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 1a67 n LEU 105 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1a67 n LEU 105 CO 0.21 1.10 0.00 -3.20 -1.33 0.00 0.00 177.39 174.18 1a67 n ASN 106 N 0.01 0.00 0.00 -1.43 2.85 -1.21 -5.14 115.26 110.33 1a67 n ASN 106 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1a67 n ASN 106 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 1a67 n ASN 106 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1a67 n GLN 107 N 0.00 -1.72 -3.71 1.20 7.27 0.28 -4.83 117.38 115.87 1a67 n GLN 107 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.81 1a67 n GLN 107 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1a67 n GLN 107 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 1a67 s ILE 108 N -3.00 5.21 0.00 1.69 2.07 -1.26 -1.69 121.20 124.22 1a67 s ILE 108 Ca 0.00 -0.47 0.00 0.00 -1.41 0.00 0.00 60.65 58.77 1a67 s ILE 108 Cb 0.00 -3.76 0.00 0.00 0.13 0.00 0.00 42.46 38.83 1a67 s ILE 108 CO 0.00 -0.23 0.00 1.17 -1.91 0.00 0.00 174.94 173.97 1a67 n LYS 109 N -0.87 0.00 -3.42 3.50 3.00 -0.57 -4.93 118.16 114.87 1a67 n LYS 109 Ca -0.05 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.01 1a67 n LYS 109 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.47 1a67 n LYS 109 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1a67 s LEU 110 N 0.00 0.64 0.03 3.14 1.98 -1.26 -1.51 118.68 121.70 1a67 s LEU 110 Ca 0.00 -2.02 -0.06 0.00 -2.89 0.00 0.00 54.13 49.17 1a67 s LEU 110 Cb 0.00 -0.08 -0.01 0.00 0.66 0.00 0.00 46.19 46.76 1a67 s LEU 110 CO 0.00 -0.29 0.99 -0.11 -1.89 0.00 0.00 176.35 175.05 1a67 n LEU 111 N 4.07 -0.19 0.00 -0.68 7.94 -0.82 -4.92 117.00 122.40 1a67 n LEU 111 Ca 0.12 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 56.06 1a67 n LEU 111 Cb 0.40 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1a67 n LEU 111 CO 0.12 -0.62 0.00 -1.84 -1.11 0.00 0.00 177.39 173.94 1a67 n GLU 112 N -3.34 -1.74 -3.87 1.96 0.28 -1.24 -5.03 120.64 107.67 1a67 n GLU 112 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 1a67 n GLU 112 Cb 0.05 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.88 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 -3.64 6.37 -0.47 -1.84 1.04 -1.26 -2.33 113.70 111.56 1a67 s SER 113 Ca 0.00 0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.74 1a67 s SER 113 Cb 0.00 -1.96 0.16 0.00 0.10 0.00 0.00 66.02 64.32 1a67 s SER 113 CO 0.00 0.07 0.34 -0.54 0.98 0.00 0.00 173.24 174.10 1a67 s LYS 114 N -2.97 1.26 0.21 4.02 1.02 0.21 -4.93 119.74 118.55 1a67 s LYS 114 Ca 0.36 -2.27 0.09 0.00 0.02 0.00 0.00 55.97 54.17 1a67 s LYS 114 Cb -0.12 -1.97 -0.05 0.00 -0.52 0.00 0.00 37.83 35.17 1a67 s LYS 114 CO 0.28 -1.31 -0.18 0.00 -0.92 0.00 0.00 175.35 173.22