#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 1.94 0.97 4.61 0.00 -1.26 -5.16 121.76 122.87 1a67 s ALA 10 Ca 0.00 -1.85 -0.07 0.00 0.00 0.00 0.00 51.96 50.04 1a67 s ALA 10 Cb 0.00 0.57 0.10 0.00 0.00 0.00 0.00 23.12 23.79 1a67 s ALA 10 CO 0.00 -0.28 0.59 -0.35 0.00 0.00 0.00 175.76 175.73 1a67 n PRO 11 N -0.49 -0.53 -4.05 0.00 -0.04 -1.26 -4.94 135.00 123.68 1a67 n PRO 11 Ca -0.04 -0.95 -0.10 0.00 -0.04 0.00 0.00 63.50 62.37 1a67 n PRO 11 Cb 0.65 -0.60 -0.06 0.00 -0.04 0.00 0.00 33.50 33.45 1a67 n PRO 11 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1a67 s VAL 12 N -2.25 0.00 0.49 0.52 -7.23 -1.04 -4.99 120.40 105.91 1a67 s VAL 12 Ca 0.34 -1.56 -0.19 0.00 -1.81 0.00 0.00 61.98 58.77 1a67 s VAL 12 Cb -0.01 -2.32 -0.08 0.00 0.56 0.00 0.00 36.38 34.53 1a67 s VAL 12 CO 0.24 0.00 0.99 -2.16 -0.31 0.00 0.00 175.10 173.86 1a67 s PRO 13 N -3.94 3.92 -0.01 4.82 0.04 -1.26 -0.63 135.00 137.94 1a67 s PRO 13 Ca 0.27 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1a67 s PRO 13 Cb 0.01 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1a67 s PRO 13 CO 0.11 -0.30 0.03 0.08 0.04 0.00 0.00 177.00 176.96 1a67 s VAL 14 N -2.34 4.42 0.14 -0.36 1.01 -1.12 -4.67 120.40 117.49 1a67 s VAL 14 Ca 0.62 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 1a67 s VAL 14 Cb -0.12 -2.98 -0.07 0.00 0.00 0.00 0.00 36.38 33.21 1a67 s VAL 14 CO 0.24 0.39 0.88 1.51 0.00 0.00 0.00 175.10 178.13 1a67 s ASP 15 N -1.55 7.46 -0.04 3.32 1.47 -1.26 -4.92 116.67 121.14 1a67 s ASP 15 Ca 0.20 1.73 0.03 0.00 1.18 0.00 0.00 52.55 55.69 1a67 s ASP 15 Cb -0.12 -2.55 0.16 0.00 -0.34 0.00 0.00 42.92 40.07 1a67 s ASP 15 CO 0.11 0.05 0.77 -0.62 0.68 0.00 0.00 175.17 176.16 1a67 n GLU 16 N 2.27 1.72 -0.02 2.11 1.02 -1.26 -3.86 120.64 122.63 1a67 n GLU 16 Ca -0.01 -0.60 -0.21 0.00 -0.02 0.00 0.00 57.16 56.32 1a67 n GLU 16 Cb 0.49 -1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 30.16 1a67 n GLU 16 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1a67 h ASN 17 N 0.77 0.26 -2.37 1.62 2.35 -2.06 -3.45 115.58 112.72 1a67 h ASN 17 Ca 0.00 -0.79 -0.54 0.00 -0.55 0.00 0.00 56.30 54.42 1a67 h ASN 17 Cb 0.74 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 39.04 1a67 h ASN 17 CO 0.09 1.57 1.24 -0.62 -1.65 0.00 0.00 177.43 178.06 1a67 s ASP 18 N -6.93 6.38 0.00 5.81 2.15 -1.25 -4.84 116.67 117.99 1a67 s ASP 18 Ca -0.22 2.55 0.24 0.00 0.43 0.00 0.00 52.55 55.55 1a67 s ASP 18 Cb 0.04 -2.53 0.83 0.00 -0.30 0.00 0.00 42.92 40.96 1a67 s ASP 18 CO 0.72 -1.12 1.60 1.21 -0.17 0.00 0.00 175.17 177.41 1a67 n GLU 19 N 7.61 1.76 0.18 4.34 4.07 -1.26 -3.95 120.64 133.40 1a67 n GLU 19 Ca 0.20 -1.13 0.14 0.00 -0.06 0.00 0.00 57.16 56.32 1a67 n GLU 19 Cb 0.42 -1.43 0.45 0.00 -0.06 0.00 0.00 31.44 30.81 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 4.93 0.00 2.00 8.31 0.00 -2.00 -2.86 103.07 113.44 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 -0.10 0.00 0.00 0.00 176.54 176.44 1a67 n LEU 21 N -2.67 0.67 0.05 3.11 0.00 -1.25 -2.48 117.00 114.42 1a67 n LEU 21 Ca 0.03 0.65 0.06 0.00 0.00 0.00 0.00 56.01 56.74 1a67 n LEU 21 Cb 0.37 -0.54 0.27 0.00 0.00 0.00 0.00 43.42 43.52 1a67 n LEU 21 CO 0.28 -0.49 0.68 1.67 0.00 0.00 0.00 177.39 179.52 1a67 n GLN 22 N -2.22 0.05 -0.08 1.96 7.27 -1.08 -2.68 117.38 120.61 1a67 n GLN 22 Ca 0.03 0.45 -0.11 0.00 0.07 0.00 0.00 57.00 57.43 1a67 n GLN 22 Cb 0.26 -1.64 -0.08 0.00 2.41 0.00 0.00 30.24 31.19 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 0.00 0.00 3.69 1.12 -1.73 -3.29 114.38 114.17 1a67 h ARG 23 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1a67 h ARG 23 Cb 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 1a67 h ARG 23 CO 0.00 0.60 0.19 0.00 -3.11 0.00 0.00 179.97 177.66 1a67 h ALA 24 N -0.53 1.19 -0.41 2.80 0.00 -1.70 0.11 119.26 120.72 1a67 h ALA 24 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1a67 h ALA 24 Cb 0.78 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1a67 h ALA 24 CO -0.06 -0.19 -0.27 1.25 0.00 0.00 0.00 179.25 179.98 1a67 h LEU 25 N 0.00 0.94 -0.86 0.00 7.12 -1.57 -2.85 115.31 118.09 1a67 h LEU 25 Ca 0.00 -0.43 0.04 0.00 0.13 0.00 0.00 57.88 57.62 1a67 h LEU 25 Cb 0.39 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 40.20 1a67 h LEU 25 CO 0.00 1.16 0.55 1.56 -0.13 0.00 0.00 178.44 181.58 1a67 h GLN 26 N 0.72 1.03 -0.80 1.25 4.20 -0.85 -1.21 115.11 119.44 1a67 h GLN 26 Ca 0.08 -0.06 0.19 0.00 0.06 0.00 0.00 58.65 58.92 1a67 h GLN 26 Cb 0.84 -0.23 -0.13 0.00 0.30 0.00 0.00 27.48 28.26 1a67 h GLN 26 CO 0.07 0.68 0.12 0.35 -0.67 0.00 0.00 178.83 179.38 1a67 h PHE 27 N 1.06 0.16 -0.16 2.96 3.04 -1.46 0.56 116.94 123.09 1a67 h PHE 27 Ca 0.35 0.05 -0.12 0.00 3.98 0.00 0.00 57.97 62.23 1a67 h PHE 27 Cb 0.03 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1a67 h PHE 27 CO -0.02 -0.20 -0.41 0.00 -2.02 0.00 0.00 178.31 175.66 1a67 h ALA 28 N 1.72 1.00 0.00 2.41 0.00 -1.24 -2.59 119.26 120.57 1a67 h ALA 28 Ca 0.47 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1a67 h ALA 28 Cb 0.87 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1a67 h ALA 28 CO -0.64 0.61 -0.03 0.52 0.00 0.00 0.00 179.25 179.71 1a67 h MET 29 N 0.31 0.00 0.09 0.00 2.86 0.69 -2.40 114.93 116.48 1a67 h MET 29 Ca 0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1a67 h MET 29 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1a67 h MET 29 CO 0.07 0.03 -0.04 0.00 1.06 0.00 0.00 176.91 178.03 1a67 h ALA 30 N 1.97 -0.12 -0.40 6.32 0.00 -0.98 -3.05 119.26 122.99 1a67 h ALA 30 Ca -0.00 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.80 1a67 h ALA 30 Cb 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1a67 h ALA 30 CO 0.00 -0.16 0.31 0.93 0.00 0.00 0.00 179.25 180.34 1a67 h GLU 31 N -0.95 0.00 -0.43 0.00 4.39 -1.53 0.22 114.58 116.28 1a67 h GLU 31 Ca -0.01 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 1a67 h GLU 31 Cb 0.48 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1a67 h GLU 31 CO 0.02 0.00 -0.22 -0.92 -1.16 0.00 0.00 179.01 176.73 1a67 h TYR 32 N 0.00 0.98 -0.24 4.33 3.20 -1.46 -1.55 116.97 122.23 1a67 h TYR 32 Ca 0.19 -0.23 0.03 0.00 3.14 0.00 0.00 58.73 61.86 1a67 h TYR 32 Cb 0.80 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1a67 h TYR 32 CO 0.00 1.00 0.16 -0.97 -1.64 0.00 0.00 178.16 176.71 1a67 h ASN 33 N 0.75 0.15 0.63 -2.11 -1.24 -0.83 0.23 115.58 113.16 1a67 h ASN 33 Ca 0.10 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.11 1a67 h ASN 33 Cb 0.76 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.78 1a67 h ASN 33 CO 0.06 0.11 -0.68 -1.14 -1.29 0.00 0.00 177.43 174.49 1a67 n ARG 34 N -4.49 0.19 0.06 6.67 0.63 -1.00 -3.86 116.66 114.85 1a67 n ARG 34 Ca 0.02 0.04 0.12 0.00 -0.92 0.00 0.00 57.85 57.10 1a67 n ARG 34 Cb 0.18 -1.60 0.14 0.00 0.45 0.00 0.00 32.46 31.64 1a67 n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a67 h ALA 35 N 2.69 0.55 -0.01 5.13 0.00 0.04 -3.29 119.26 124.36 1a67 h ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a67 h ALA 35 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1a67 h ALA 35 CO 0.00 0.00 -0.04 -1.13 0.00 0.00 0.00 179.25 178.08 1a67 n SER 36 N -2.13 1.07 0.00 0.00 3.41 -0.78 -4.90 113.62 110.29 1a67 n SER 36 Ca 0.03 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1a67 n SER 36 Cb 0.45 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.24 0.00 -3.15 4.04 5.15 -1.24 -4.35 115.26 115.46 1a67 n ASN 37 Ca 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1a67 n ASN 37 Cb 0.30 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 1a67 n ASN 37 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1a67 n ASP 38 N 0.78 -0.43 -1.81 1.20 5.75 -1.26 -4.92 116.55 115.87 1a67 n ASP 38 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.62 1a67 n ASP 38 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.15 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 -0.43 3.00 -3.58 0.11 2.85 -1.26 -4.86 118.16 113.99 1a67 n LYS 39 Ca 0.00 -3.90 -0.05 0.00 -1.05 0.00 0.00 58.31 53.31 1a67 n LYS 39 Cb 0.00 -2.05 -0.02 0.00 -0.65 0.00 0.00 35.03 32.31 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 -3.47 -0.16 0.00 5.58 2.02 -1.26 -3.04 117.35 117.02 1a67 s TYR 40 Ca 0.46 0.10 0.00 0.00 -0.37 0.00 0.00 57.07 57.26 1a67 s TYR 40 Cb 0.39 0.52 0.00 0.00 -0.40 0.00 0.00 41.96 42.47 1a67 s TYR 40 CO 0.01 -0.26 0.00 0.43 -1.57 0.00 0.00 175.55 174.16 1a67 n SER 41 N -0.12 -1.45 -4.75 2.29 7.64 0.11 -4.87 113.62 112.47 1a67 n SER 41 Ca -0.01 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.52 1a67 n SER 41 Cb 0.59 -0.24 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 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 -2.44 5.61 -0.20 6.43 0.01 -1.26 -2.07 113.70 119.78 1a67 s SER 42 Ca 0.00 0.22 -0.36 0.00 1.31 0.00 0.00 55.95 57.12 1a67 s SER 42 Cb 0.00 -1.65 0.15 0.00 0.21 0.00 0.00 66.02 64.73 1a67 s SER 42 CO 0.00 0.36 1.36 -0.13 0.41 0.00 0.00 173.24 175.24 1a67 s ARG 43 N -1.12 0.10 0.52 12.44 1.81 0.15 -3.78 118.95 129.06 1a67 s ARG 43 Ca 0.16 -0.05 0.03 0.00 -1.72 0.00 0.00 55.73 54.15 1a67 s ARG 43 Cb -0.12 0.04 0.00 0.00 -0.45 0.00 0.00 34.95 34.43 1a67 s ARG 43 CO 0.05 -0.05 0.13 0.54 -0.68 0.00 0.00 175.30 175.30 1a67 s VAL 44 N -2.13 1.36 0.09 3.52 0.11 -1.26 0.03 120.40 122.12 1a67 s VAL 44 Ca 0.12 -1.83 0.00 0.00 -2.93 0.00 0.00 61.98 57.34 1a67 s VAL 44 Cb 0.02 -2.19 0.00 0.00 -1.53 0.00 0.00 36.38 32.67 1a67 s VAL 44 CO -0.04 0.00 0.00 0.52 -3.33 0.00 0.00 175.10 172.25 1a67 n VAL 45 N -1.41 0.00 -3.74 2.04 0.31 -1.21 -4.56 118.33 109.76 1a67 n VAL 45 Ca -0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.13 1a67 n VAL 45 Cb 0.66 -0.14 -0.02 0.00 -0.91 0.00 0.00 33.84 33.43 1a67 n VAL 45 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a67 s ARG 46 N -1.29 1.47 0.28 5.55 1.70 -1.26 -5.06 118.95 120.34 1a67 s ARG 46 Ca 0.00 -0.77 -0.13 0.00 -0.47 0.00 0.00 55.73 54.36 1a67 s ARG 46 Cb 0.00 0.53 -0.08 0.00 -0.57 0.00 0.00 34.95 34.83 1a67 s ARG 46 CO 0.00 -0.67 0.66 0.54 -1.08 0.00 0.00 175.30 174.75 1a67 s VAL 47 N -3.64 4.78 -0.14 4.99 0.11 -1.26 -2.65 120.40 122.59 1a67 s VAL 47 Ca 0.10 0.75 0.21 0.00 -2.93 0.00 0.00 61.98 60.11 1a67 s VAL 47 Cb -0.04 -3.61 -0.16 0.00 -1.53 0.00 0.00 36.38 31.04 1a67 s VAL 47 CO 0.02 -0.13 0.76 -0.38 -3.33 0.00 0.00 175.10 172.03 1a67 n ILE 48 N -0.26 0.49 0.00 7.04 2.08 -0.08 -4.91 119.36 123.72 1a67 n ILE 48 Ca 0.02 -0.56 0.00 0.00 0.56 0.00 0.00 62.75 62.77 1a67 n ILE 48 Cb 0.53 -0.26 0.00 0.00 -0.75 0.00 0.00 39.64 39.16 1a67 n ILE 48 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1a67 n SER 49 N -2.55 0.00 -3.63 4.38 2.88 -1.26 -4.97 113.62 108.47 1a67 n SER 49 Ca -0.04 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.34 1a67 n SER 49 Cb 0.62 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.28 -0.05 -1.46 0.00 -1.26 -3.36 121.76 113.34 1a67 s ALA 50 Ca 0.00 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.62 1a67 s ALA 50 Cb 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 1a67 s ALA 50 CO 0.00 -0.71 -0.25 0.15 0.00 0.00 0.00 175.76 174.95 1a67 s LYS 51 N 2.33 2.46 -0.12 0.00 1.02 -0.72 -2.78 119.74 121.94 1a67 s LYS 51 Ca 0.03 -0.90 -0.05 0.00 0.02 0.00 0.00 55.97 55.07 1a67 s LYS 51 Cb -0.13 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 1a67 s LYS 51 CO -0.08 0.43 0.06 -0.98 -0.92 0.00 0.00 175.35 173.86 1a67 s ARG 52 N -0.28 3.33 0.18 1.68 1.70 0.20 -1.36 118.95 124.40 1a67 s ARG 52 Ca -0.00 -0.29 0.09 0.00 -0.47 0.00 0.00 55.73 55.05 1a67 s ARG 52 Cb -0.13 -3.01 -0.04 0.00 -0.57 0.00 0.00 34.95 31.20 1a67 s ARG 52 CO 0.03 0.65 -0.08 -1.14 -1.08 0.00 0.00 175.30 173.68 1a67 s GLN 53 N -0.71 2.10 0.07 3.89 0.74 -0.18 -2.49 119.66 123.07 1a67 s GLN 53 Ca 0.12 -1.24 0.04 0.00 0.05 0.00 0.00 55.36 54.33 1a67 s GLN 53 Cb -0.12 -2.19 -0.04 0.00 1.10 0.00 0.00 33.01 31.77 1a67 s GLN 53 CO 0.03 0.44 -0.02 -0.48 -0.55 0.00 0.00 175.29 174.71 1a67 s LEU 54 N -2.83 3.40 -0.43 3.68 0.05 -1.26 0.10 118.68 121.39 1a67 s LEU 54 Ca 0.25 -0.16 0.03 0.00 0.05 0.00 0.00 54.13 54.29 1a67 s LEU 54 Cb -0.09 -2.09 0.25 0.00 -2.05 0.00 0.00 46.19 42.22 1a67 s LEU 54 CO 0.15 0.21 1.02 1.33 -0.55 0.00 0.00 176.35 178.51 1a67 n VAL 55 N 0.83 0.00 0.00 1.48 0.24 -1.26 -4.92 118.33 114.70 1a67 n VAL 55 Ca -0.12 -1.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.00 1a67 n VAL 55 Cb 0.52 1.33 0.00 0.00 -1.47 0.00 0.00 33.84 34.22 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 1.62 0.00 0.00 -1.34 2.88 -1.26 -4.79 113.62 110.73 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 3.79 0.46 0.00 -1.26 -5.08 105.19 108.28 1a67 n GLY 57 Ca 0.00 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.19 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 2.41 3.09 0.01 -0.61 1.01 -0.62 -4.43 121.20 122.07 1a67 s ILE 58 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 60.65 59.12 1a67 s ILE 58 Cb 0.00 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 1a67 s ILE 58 CO 0.00 -0.14 -0.02 -0.75 0.00 0.00 0.00 174.94 174.03 1a67 s LYS 59 N -3.94 0.22 -0.16 2.79 2.47 0.29 -1.56 119.74 119.84 1a67 s LYS 59 Ca 0.41 -0.37 0.01 0.00 -1.56 0.00 0.00 55.97 54.46 1a67 s LYS 59 Cb -0.03 0.01 0.02 0.00 -1.46 0.00 0.00 37.83 36.36 1a67 s LYS 59 CO 0.25 -0.01 -0.19 0.71 0.16 0.00 0.00 175.35 176.26 1a67 s TYR 60 N -0.84 2.61 -0.22 4.03 2.02 -0.38 -1.02 117.35 123.55 1a67 s TYR 60 Ca -0.09 -1.47 -0.01 0.00 -0.37 0.00 0.00 57.07 55.13 1a67 s TYR 60 Cb -0.06 -1.81 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1a67 s TYR 60 CO -0.00 -0.73 -0.10 0.96 -1.57 0.00 0.00 175.55 174.11 1a67 s ILE 61 N 1.21 2.78 0.00 2.71 -4.36 -0.46 0.55 121.20 123.63 1a67 s ILE 61 Ca 0.02 -0.85 0.06 0.00 -0.26 0.00 0.00 60.65 59.62 1a67 s ILE 61 Cb -0.14 -2.30 -0.02 0.00 1.25 0.00 0.00 42.46 41.25 1a67 s ILE 61 CO -0.10 0.36 -0.19 -1.48 0.24 0.00 0.00 174.94 173.78 1a67 s LEU 62 N 1.36 2.07 -0.49 0.37 2.34 -0.47 -1.75 118.68 122.11 1a67 s LEU 62 Ca 0.03 -0.38 -0.08 0.00 0.06 0.00 0.00 54.13 53.76 1a67 s LEU 62 Cb -0.15 -0.94 0.13 0.00 -0.56 0.00 0.00 46.19 44.66 1a67 s LEU 62 CO -0.07 0.20 0.35 -1.10 -1.06 0.00 0.00 176.35 174.68 1a67 s GLN 63 N -0.63 2.45 0.27 1.48 -0.21 -1.21 -0.94 119.66 120.86 1a67 s GLN 63 Ca 0.07 -1.89 -0.08 0.00 0.02 0.00 0.00 55.36 53.48 1a67 s GLN 63 Cb -0.08 -3.87 -0.06 0.00 1.00 0.00 0.00 33.01 30.00 1a67 s GLN 63 CO -0.00 -1.18 0.57 0.14 -2.12 0.00 0.00 175.29 172.71 1a67 s VAL 64 N 1.12 4.95 -0.88 1.09 -7.23 0.11 -0.91 120.40 118.66 1a67 s VAL 64 Ca 0.08 0.33 -0.02 0.00 -1.81 0.00 0.00 61.98 60.56 1a67 s VAL 64 Cb -0.24 -3.67 0.22 0.00 0.56 0.00 0.00 36.38 33.24 1a67 s VAL 64 CO -0.02 -0.21 0.76 -0.70 -0.31 0.00 0.00 175.10 174.62 1a67 s GLU 65 N -3.19 3.26 0.18 4.82 2.56 -1.08 -1.25 118.70 124.00 1a67 s GLU 65 Ca 0.46 -3.19 -0.12 0.00 0.00 0.00 0.00 54.97 52.12 1a67 s GLU 65 Cb -0.11 -3.97 -0.07 0.00 2.00 0.00 0.00 34.13 31.98 1a67 s GLU 65 CO 0.25 -1.26 0.55 0.96 -0.56 0.00 0.00 175.26 175.20 1a67 s ILE 66 N -1.20 4.90 0.30 -3.70 -4.36 0.21 -3.31 121.20 114.04 1a67 s ILE 66 Ca 0.26 0.65 0.02 0.00 -0.26 0.00 0.00 60.65 61.32 1a67 s ILE 66 Cb -0.09 -3.67 -0.01 0.00 1.25 0.00 0.00 42.46 39.94 1a67 s ILE 66 CO -0.11 0.10 0.06 0.61 0.24 0.00 0.00 174.94 175.84 1a67 n GLY 67 N 0.36 3.61 3.94 6.27 0.00 0.10 0.14 105.19 119.61 1a67 n GLY 67 Ca -0.03 -2.15 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 1a67 n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a67 s ARG 68 N -3.11 3.46 0.30 1.61 0.52 -1.24 0.31 118.95 120.79 1a67 s ARG 68 Ca 0.09 -0.52 0.05 0.00 -0.52 0.00 0.00 55.73 54.83 1a67 s ARG 68 Cb 0.00 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 1a67 s ARG 68 CO 0.06 0.51 0.23 0.95 0.02 0.00 0.00 175.30 177.07 1a67 s THR 69 N -1.74 0.03 -0.54 0.02 -4.23 -0.88 -3.98 115.64 104.32 1a67 s THR 69 Ca 0.35 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1a67 s THR 69 Cb -0.11 -2.50 0.41 0.00 1.34 0.00 0.00 72.50 71.64 1a67 s THR 69 CO 0.28 0.00 2.00 0.35 -0.54 0.00 0.00 174.62 176.72 1a67 n THR 70 N -0.54 3.32 -3.87 3.99 -2.24 -0.80 0.07 114.28 114.22 1a67 n THR 70 Ca 0.05 -2.44 -0.10 0.00 -2.27 0.00 0.00 64.05 59.29 1a67 n THR 70 Cb 0.63 -1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 67.65 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a67 s PRO 72 N -2.19 3.88 -0.40 0.00 0.04 -1.17 -3.90 135.00 131.26 1a67 s PRO 72 Ca -0.08 -1.97 0.08 0.00 0.04 0.00 0.00 61.00 59.07 1a67 s PRO 72 Cb -0.03 -5.24 0.43 0.00 0.04 0.00 0.00 34.50 29.70 1a67 s PRO 72 CO -0.02 -2.01 1.08 0.36 0.04 0.00 0.00 177.00 176.46 1a67 n LYS 73 N 7.30 2.93 -0.53 4.56 2.85 -1.26 -4.82 118.16 129.19 1a67 n LYS 73 Ca 0.38 -4.19 -0.10 0.00 -1.05 0.00 0.00 58.31 53.35 1a67 n LYS 73 Cb 0.46 -2.03 0.09 0.00 -0.65 0.00 0.00 35.03 32.90 1a67 n LYS 73 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1a67 n SER 74 N -0.42 3.31 -0.83 -5.58 7.64 -1.26 -3.76 113.62 112.72 1a67 n SER 74 Ca 0.32 -2.69 -0.05 0.00 1.01 0.00 0.00 58.87 57.47 1a67 n SER 74 Cb 0.73 -0.64 -0.05 0.00 -1.01 0.00 0.00 64.21 63.23 1a67 n SER 74 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1a67 n SER 75 N -0.19 -0.67 0.00 6.43 2.88 -1.26 -4.45 113.62 116.36 1a67 n SER 75 Ca 0.25 -1.64 0.00 0.00 -1.33 0.00 0.00 58.87 56.15 1a67 n SER 75 Cb 0.99 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.65 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 0.00 -1.53 0.59 0.46 0.00 -1.25 -5.08 105.19 98.39 1a67 n GLY 76 Ca -0.19 -1.50 0.08 0.00 0.00 0.00 0.00 46.02 44.41 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 0.05 -3.54 0.00 1.61 2.03 -1.26 -4.78 116.55 110.65 1a67 n ASP 77 Ca 0.00 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1a67 n ASP 77 Cb 0.00 -1.88 0.00 0.00 -0.72 0.00 0.00 41.12 38.52 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 -2.97 0.00 0.00 -2.67 4.77 -1.26 -4.90 117.00 109.97 1a67 n LEU 78 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1a67 n LEU 78 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1a67 n LEU 78 CO 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.07 1a67 n GLN 79 N 7.86 0.00 0.00 3.23 6.02 -1.26 -5.16 117.38 128.06 1a67 n GLN 79 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1a67 n GLN 79 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1a67 n GLN 79 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1a67 n SER 80 N -1.28 0.84 0.00 1.08 3.41 -1.26 -4.96 113.62 111.45 1a67 n SER 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a67 n SER 80 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a67 n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a67 n GLU 82 N 0.00 -3.26 -3.37 0.00 -0.58 -1.26 -3.15 120.64 109.02 1a67 n GLU 82 Ca 0.00 2.51 -0.46 0.00 -0.42 0.00 0.00 57.16 58.79 1a67 n GLU 82 Cb 0.00 -3.20 -0.02 0.00 -0.57 0.00 0.00 31.44 27.65 1a67 n GLU 82 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1a67 s PHE 83 N -4.73 3.84 -0.93 -0.32 0.40 -1.26 -1.90 117.98 113.08 1a67 s PHE 83 Ca 0.00 -2.20 -0.09 0.00 -0.60 0.00 0.00 56.93 54.03 1a67 s PHE 83 Cb 0.00 -3.76 0.01 0.00 0.51 0.00 0.00 43.02 39.77 1a67 s PHE 83 CO 0.00 -0.97 0.66 0.72 0.70 0.00 0.00 175.22 176.33 1a67 n HIS 84 N 3.65 -2.05 0.00 0.36 8.25 -1.26 -2.71 115.22 121.47 1a67 n HIS 84 Ca 0.16 0.69 0.00 0.00 -0.26 0.00 0.00 57.72 58.31 1a67 n HIS 84 Cb 0.45 -3.06 0.00 0.00 1.12 0.00 0.00 29.99 28.49 1a67 n HIS 84 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1a67 n ASP 85 N -2.42 0.00 0.00 0.41 -0.08 -1.26 -4.45 116.55 108.74 1a67 n ASP 85 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1a67 n ASP 85 Cb 0.63 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.09 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 0.00 0.00 0.00 -0.67 1.02 -1.10 -4.95 120.64 114.94 1a67 n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1a67 n GLU 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1a67 n GLU 86 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1a67 n PRO 87 N 0.00 0.00 -2.01 3.49 -0.04 -1.26 -4.71 135.00 130.48 1a67 n PRO 87 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1a67 n PRO 87 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1a67 n PRO 87 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1a67 n GLU 88 N 0.00 -1.02 0.00 0.54 0.00 -1.26 -0.90 120.64 118.00 1a67 n GLU 88 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 57.16 57.90 1a67 n GLU 88 Cb 0.00 -4.93 0.00 0.00 0.00 0.00 0.00 31.44 26.51 1a67 n GLU 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1a67 n MET 89 N -2.37 0.00 -2.81 5.31 0.00 -1.26 -4.14 117.12 111.85 1a67 n MET 89 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.45 1a67 n MET 89 Cb 0.57 -0.96 0.05 0.00 0.00 0.00 0.00 33.22 32.88 1a67 n MET 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1a67 n ALA 90 N -0.61 -1.42 -0.19 -5.12 0.00 -0.08 -4.96 120.51 108.13 1a67 n ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a67 n ALA 90 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.09 1a67 n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1a67 n LYS 91 N -2.86 0.00 0.00 0.00 5.02 -1.26 -4.94 118.16 114.12 1a67 n LYS 91 Ca -0.14 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1a67 n LYS 91 Cb 0.60 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 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 -1.94 -1.69 -3.64 2.13 4.02 -1.26 -4.92 117.16 109.85 1a67 n TYR 92 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.87 1a67 n TYR 92 Cb 0.00 0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 39.51 1a67 n TYR 92 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1a67 s THR 93 N 0.00 -0.83 0.01 -0.72 2.01 0.36 -4.83 115.64 111.65 1a67 s THR 93 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1a67 s THR 93 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1a67 s THR 93 CO 0.00 0.00 0.21 0.28 -0.69 0.00 0.00 174.62 174.42 1a67 s THR 94 N 2.69 5.39 -0.16 -0.82 -1.32 -1.26 0.65 115.64 120.81 1a67 s THR 94 Ca -0.07 -0.13 -0.29 0.00 -1.21 0.00 0.00 61.69 60.00 1a67 s THR 94 Cb -0.11 -3.57 0.09 0.00 -1.51 0.00 0.00 72.50 67.41 1a67 s THR 94 CO -0.19 0.28 0.80 0.00 -2.21 0.00 0.00 174.62 173.30 1a67 s THR 96 N -0.60 1.36 0.37 0.00 2.01 -0.49 0.10 115.64 118.39 1a67 s THR 96 Ca -0.04 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.52 1a67 s THR 96 Cb -0.02 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 1a67 s THR 96 CO 0.04 0.42 0.31 0.72 -0.69 0.00 0.00 174.62 175.42 1a67 s PHE 97 N 1.43 2.81 0.21 4.92 -0.71 -0.12 0.13 117.98 126.66 1a67 s PHE 97 Ca 0.02 -0.39 0.11 0.00 -1.04 0.00 0.00 56.93 55.64 1a67 s PHE 97 Cb -0.13 -1.93 -0.05 0.00 -1.21 0.00 0.00 43.02 39.71 1a67 s PHE 97 CO -0.08 0.08 -0.23 0.08 -1.34 0.00 0.00 175.22 173.74 1a67 s VAL 98 N -2.39 2.36 0.11 -2.49 1.01 -1.10 -1.36 120.40 116.54 1a67 s VAL 98 Ca 0.43 -2.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.29 1a67 s VAL 98 Cb -0.04 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1a67 s VAL 98 CO 0.27 -0.19 0.03 -0.69 0.00 0.00 0.00 175.10 174.52 1a67 s VAL 99 N -1.89 0.17 -0.05 2.92 1.01 0.19 -3.56 120.40 119.19 1a67 s VAL 99 Ca 0.23 -1.89 0.03 0.00 0.00 0.00 0.00 61.98 60.35 1a67 s VAL 99 Cb -0.07 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.39 1a67 s VAL 99 CO 0.11 -0.59 -0.14 -0.47 0.00 0.00 0.00 175.10 174.00 1a67 s TYR 100 N -3.99 1.54 -0.13 5.22 6.14 -0.37 -1.25 117.35 124.50 1a67 s TYR 100 Ca 0.20 -0.51 -0.05 0.00 0.64 0.00 0.00 57.07 57.36 1a67 s TYR 100 Cb 0.07 -1.08 0.07 0.00 0.42 0.00 0.00 41.96 41.44 1a67 s TYR 100 CO -0.01 -0.22 0.27 -1.54 0.64 0.00 0.00 175.55 174.69 1a67 s SER 101 N 0.35 0.38 -0.29 4.32 1.04 -0.60 -1.23 113.70 117.66 1a67 s SER 101 Ca -0.09 0.57 0.02 0.00 0.48 0.00 0.00 55.95 56.93 1a67 s SER 101 Cb -0.13 0.71 0.20 0.00 0.10 0.00 0.00 66.02 66.89 1a67 s SER 101 CO 0.03 -0.24 0.64 -0.63 0.98 0.00 0.00 173.24 174.02 1a67 s ILE 102 N 2.42 -0.93 -1.16 -1.02 1.01 -0.44 -1.58 121.20 119.50 1a67 s ILE 102 Ca 0.02 0.00 0.27 0.00 0.00 0.00 0.00 60.65 60.94 1a67 s ILE 102 Cb -0.12 -0.95 0.19 0.00 0.01 0.00 0.00 42.46 41.59 1a67 s ILE 102 CO -0.09 0.00 1.70 -0.81 0.00 0.00 0.00 174.94 175.74 1a67 n PRO 103 N 5.40 0.17 0.05 2.79 -0.04 -1.26 -0.19 135.00 141.92 1a67 n PRO 103 Ca 0.03 -0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 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 -1.35 0.35 -2.03 0.54 -0.00 -1.26 -4.03 117.44 109.65 1a67 n TRP 104 Ca 0.08 0.12 -0.00 0.00 -0.00 0.00 0.00 57.50 57.69 1a67 n TRP 104 Cb 0.32 -0.69 -0.00 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 -1.80 -0.03 -1.82 5.67 4.77 -1.26 -5.04 117.00 117.49 1a67 n LEU 105 Ca 0.05 -1.14 -0.01 0.00 -0.03 0.00 0.00 56.01 54.88 1a67 n LEU 105 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1a67 n LEU 105 CO 0.23 0.77 0.05 -3.20 -1.33 0.00 0.00 177.39 173.91 1a67 n ASN 106 N 0.03 -3.29 -3.66 -1.43 2.85 -1.24 -5.09 115.26 103.43 1a67 n ASN 106 Ca -0.02 0.04 -0.14 0.00 -0.11 0.00 0.00 54.58 54.35 1a67 n ASN 106 Cb 0.62 -1.95 -0.07 0.00 1.24 0.00 0.00 39.78 39.61 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 -2.29 0.87 0.00 1.20 2.00 0.73 -5.03 119.66 117.14 1a67 s GLN 107 Ca 0.02 -0.17 0.00 0.00 -2.00 0.00 0.00 55.36 53.21 1a67 s GLN 107 Cb -0.01 0.39 0.00 0.00 0.80 0.00 0.00 33.01 34.19 1a67 s GLN 107 CO 0.17 -0.27 0.00 1.51 -0.50 0.00 0.00 175.29 176.19 1a67 n ILE 108 N 0.85 0.00 -3.81 -2.34 3.06 -1.26 -1.32 119.36 114.54 1a67 n ILE 108 Ca -0.20 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 59.99 1a67 n ILE 108 Cb 0.58 0.00 0.03 0.00 0.54 0.00 0.00 39.64 40.78 1a67 n ILE 108 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1a67 n LYS 109 N -0.62 0.90 -3.59 9.51 5.02 -0.37 -4.91 118.16 124.11 1a67 n LYS 109 Ca 0.00 -1.85 -0.28 0.00 -2.02 0.00 0.00 58.31 54.16 1a67 n LYS 109 Cb 0.00 2.37 -0.11 0.00 -0.02 0.00 0.00 35.03 37.27 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 2.56 0.01 -0.35 2.96 -1.26 -1.24 118.68 121.35 1a67 s LEU 110 Ca 0.18 -3.21 -0.02 0.00 -0.22 0.00 0.00 54.13 50.86 1a67 s LEU 110 Cb -0.04 -0.86 -0.01 0.00 0.50 0.00 0.00 46.19 45.78 1a67 s LEU 110 CO 0.09 -0.16 1.04 0.25 -1.32 0.00 0.00 176.35 176.25 1a67 h LEU 111 N 5.76 -0.16 0.00 -0.68 5.85 -1.90 -3.47 115.31 120.71 1a67 h LEU 111 Ca 0.19 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1a67 h LEU 111 Cb 0.87 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1a67 h LEU 111 CO 0.48 -0.02 0.00 1.21 -0.34 0.00 0.00 178.44 179.77 1a67 n GLU 112 N -3.16 0.00 -1.76 1.25 2.13 -1.26 -5.02 120.64 112.82 1a67 n GLU 112 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.52 1a67 n GLU 112 Cb 0.02 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.77 1a67 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1a67 s SER 113 N 0.00 5.59 -0.42 4.31 1.04 -1.26 -2.71 113.70 120.25 1a67 s SER 113 Ca 0.00 1.38 0.05 0.00 0.48 0.00 0.00 55.95 57.86 1a67 s SER 113 Cb 0.00 -2.28 0.18 0.00 0.10 0.00 0.00 66.02 64.02 1a67 s SER 113 CO 0.00 -1.28 0.42 1.17 0.98 0.00 0.00 173.24 174.53 1a67 n LYS 114 N -3.00 0.30 -4.12 4.02 3.00 0.35 -4.89 118.16 113.82 1a67 n LYS 114 Ca 0.07 -3.03 -0.27 0.00 -0.00 0.00 0.00 58.31 55.08 1a67 n LYS 114 Cb 0.55 -1.58 -0.06 0.00 0.00 0.00 0.00 35.03 33.93 1a67 n LYS 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40