#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a67 n ALA 10 N 0.00 0.00 -1.93 4.61 0.00 -1.26 -5.16 120.51 116.77 1a67 n ALA 10 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1a67 n ALA 10 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1a67 n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a67 s PRO 11 N -2.00 2.82 0.16 0.00 0.04 -1.26 -4.79 135.00 129.96 1a67 s PRO 11 Ca 0.00 0.33 -0.14 0.00 0.04 0.00 0.00 61.00 61.23 1a67 s PRO 11 Cb 0.00 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1a67 s PRO 11 CO 0.00 -1.00 0.40 0.14 0.04 0.00 0.00 177.00 176.58 1a67 s VAL 12 N -3.29 0.06 0.68 -0.36 -7.23 -1.02 -5.03 120.40 104.20 1a67 s VAL 12 Ca 0.57 -0.89 -0.11 0.00 -1.81 0.00 0.00 61.98 59.74 1a67 s VAL 12 Cb -0.11 -1.48 -0.00 0.00 0.56 0.00 0.00 36.38 35.34 1a67 s VAL 12 CO 0.50 -0.27 1.06 -2.16 -0.31 0.00 0.00 175.10 173.91 1a67 s PRO 13 N -3.87 3.10 -0.04 4.82 0.04 -1.26 -1.47 135.00 136.31 1a67 s PRO 13 Ca 0.09 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1a67 s PRO 13 Cb 0.01 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1a67 s PRO 13 CO -0.06 -0.94 -0.00 0.08 0.04 0.00 0.00 177.00 176.12 1a67 s VAL 14 N -3.15 4.19 -0.08 -0.36 1.01 -1.22 -4.74 120.40 116.04 1a67 s VAL 14 Ca 0.57 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 1a67 s VAL 14 Cb -0.12 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1a67 s VAL 14 CO 0.54 0.48 0.33 1.51 0.00 0.00 0.00 175.10 177.96 1a67 s ASP 15 N -1.26 6.61 0.00 3.32 1.47 -1.26 -4.95 116.67 120.60 1a67 s ASP 15 Ca 0.17 0.72 0.04 0.00 1.18 0.00 0.00 52.55 54.65 1a67 s ASP 15 Cb -0.11 -2.20 0.21 0.00 -0.34 0.00 0.00 42.92 40.48 1a67 s ASP 15 CO 0.07 0.24 1.14 -1.84 0.68 0.00 0.00 175.17 175.45 1a67 n GLU 16 N 2.58 1.02 0.03 2.11 -0.00 -1.26 -3.65 120.64 121.46 1a67 n GLU 16 Ca -0.14 -0.03 -0.06 0.00 -0.00 0.00 0.00 57.16 56.93 1a67 n GLU 16 Cb 0.53 -1.06 0.13 0.00 -0.00 0.00 0.00 31.44 31.03 1a67 n GLU 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1a67 h ASN 17 N 0.05 0.48 -3.41 -1.84 2.35 -2.05 -3.43 115.58 107.73 1a67 h ASN 17 Ca 0.00 -0.22 -0.55 0.00 -0.55 0.00 0.00 56.30 54.98 1a67 h ASN 17 Cb 0.01 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 1a67 h ASN 17 CO 0.00 0.87 0.10 1.51 -1.65 0.00 0.00 177.43 178.26 1a67 s ASP 18 N -6.87 7.24 0.00 5.81 -4.77 -1.24 -4.93 116.67 111.90 1a67 s ASP 18 Ca -0.06 1.47 0.18 0.00 -3.30 0.00 0.00 52.55 50.84 1a67 s ASP 18 Cb 0.12 -2.45 0.94 0.00 -1.09 0.00 0.00 42.92 40.44 1a67 s ASP 18 CO 0.81 0.18 1.62 1.21 0.70 0.00 0.00 175.17 179.70 1a67 n GLU 19 N 1.93 1.19 -0.04 2.11 4.07 -1.26 -3.77 120.64 124.86 1a67 n GLU 19 Ca -0.06 -0.28 -0.14 0.00 -0.06 0.00 0.00 57.16 56.61 1a67 n GLU 19 Cb 0.50 -1.30 -0.08 0.00 -0.06 0.00 0.00 31.44 30.50 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 5.36 0.43 2.00 8.31 0.00 -1.96 -3.18 103.07 114.03 1a67 h GLY 20 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.68 1a67 h GLY 20 CO 0.00 0.48 -0.52 -2.00 0.00 0.00 0.00 176.54 174.50 1a67 h LEU 21 N -0.04 0.00 -0.69 3.11 7.12 -1.92 -2.66 115.31 120.23 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 0.90 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.03 1a67 h LEU 21 CO 0.06 0.52 0.00 1.67 -0.13 0.00 0.00 178.44 180.56 1a67 n GLN 22 N -3.72 0.09 0.07 1.25 7.27 -1.20 -0.77 117.38 120.36 1a67 n GLN 22 Ca -0.01 0.52 -0.14 0.00 0.07 0.00 0.00 57.00 57.44 1a67 n GLN 22 Cb 0.56 -1.74 -0.14 0.00 2.41 0.00 0.00 30.24 31.33 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 0.19 0.00 3.69 2.43 -1.52 -3.16 114.38 116.01 1a67 h ARG 23 Ca 0.00 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1a67 h ARG 23 Cb 0.08 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1a67 h ARG 23 CO 0.00 1.08 -0.02 0.00 -1.51 0.00 0.00 179.97 179.52 1a67 h ALA 24 N 0.66 1.17 -0.29 2.80 0.00 -1.07 -2.06 119.26 120.47 1a67 h ALA 24 Ca -0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1a67 h ALA 24 Cb 1.95 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1a67 h ALA 24 CO 0.16 0.03 -0.25 1.25 0.00 0.00 0.00 179.25 180.44 1a67 h LEU 25 N 0.00 0.73 -0.77 0.00 7.12 -1.51 -2.54 115.31 118.33 1a67 h LEU 25 Ca -0.00 -0.46 0.00 0.00 0.13 0.00 0.00 57.88 57.55 1a67 h LEU 25 Cb 0.12 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1a67 h LEU 25 CO 0.00 1.03 0.00 0.00 -0.13 0.00 0.00 178.44 179.35 1a67 n GLN 26 N -4.29 0.13 -0.01 1.25 6.02 -0.78 -2.48 117.38 117.22 1a67 n GLN 26 Ca -0.04 0.48 -0.17 0.00 -0.01 0.00 0.00 57.00 57.26 1a67 n GLN 26 Cb 0.45 -1.81 -0.14 0.00 1.02 0.00 0.00 30.24 29.76 1a67 n GLN 26 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1a67 h PHE 27 N 0.00 0.28 -0.43 1.08 3.04 -1.45 -3.24 116.94 116.22 1a67 h PHE 27 Ca 0.00 -0.20 -0.01 0.00 3.98 0.00 0.00 57.97 61.74 1a67 h PHE 27 Cb 0.20 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.67 1a67 h PHE 27 CO 0.00 1.15 0.22 0.00 -2.02 0.00 0.00 178.31 177.66 1a67 h ALA 28 N 0.05 0.55 0.00 2.41 0.00 -1.37 -1.87 119.26 119.03 1a67 h ALA 28 Ca -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1a67 h ALA 28 Cb 1.31 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1a67 h ALA 28 CO 0.08 0.09 -0.06 0.52 0.00 0.00 0.00 179.25 179.88 1a67 h MET 29 N 0.55 0.00 0.12 0.00 2.86 -1.67 -1.83 114.93 114.96 1a67 h MET 29 Ca 0.15 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.59 1a67 h MET 29 Cb 0.08 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.75 1a67 h MET 29 CO -0.02 0.06 -0.94 0.00 1.06 0.00 0.00 176.91 177.06 1a67 h ALA 30 N 1.94 -0.00 -0.23 6.32 0.00 -1.42 -3.22 119.26 122.65 1a67 h ALA 30 Ca -0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 1a67 h ALA 30 Cb 0.17 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1a67 h ALA 30 CO 0.01 0.49 0.03 0.93 0.00 0.00 0.00 179.25 180.71 1a67 h GLU 31 N -0.41 0.33 0.00 0.00 5.08 -1.08 -0.89 114.58 117.61 1a67 h GLU 31 Ca -0.18 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1a67 h GLU 31 Cb 1.62 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 1a67 h GLU 31 CO 0.10 0.33 -0.19 -0.92 -1.00 0.00 0.00 179.01 177.34 1a67 h TYR 32 N 0.33 0.00 0.00 4.33 5.03 -1.41 -0.40 116.97 124.85 1a67 h TYR 32 Ca 0.08 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.30 1a67 h TYR 32 Cb 0.18 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 1a67 h TYR 32 CO 0.00 0.19 -0.75 -0.97 -1.32 0.00 0.00 178.16 175.31 1a67 h ASN 33 N 0.00 0.00 0.56 -2.11 -1.24 -1.22 -3.30 115.58 108.26 1a67 h ASN 33 Ca -0.00 -0.23 -0.02 0.00 0.71 0.00 0.00 56.30 56.76 1a67 h ASN 33 Cb 0.34 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.39 1a67 h ASN 33 CO 0.02 1.03 -0.11 0.08 -1.29 0.00 0.00 177.43 177.16 1a67 h ARG 34 N -1.00 0.00 0.06 6.67 0.11 -1.31 0.24 114.38 119.15 1a67 h ARG 34 Ca -0.13 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.94 1a67 h ARG 34 Cb 0.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.88 1a67 h ARG 34 CO -0.08 0.11 -0.03 0.00 0.10 0.00 0.00 179.97 180.07 1a67 h ALA 35 N 1.89 -0.09 -0.01 0.08 0.00 -1.24 -3.34 119.26 116.54 1a67 h ALA 35 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1a67 h ALA 35 Cb 0.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a67 h ALA 35 CO 0.01 -0.12 -0.21 0.45 0.00 0.00 0.00 179.25 179.38 1a67 n SER 36 N -4.78 1.65 0.00 0.00 2.88 -1.22 -4.99 113.62 107.16 1a67 n SER 36 Ca -0.07 -1.34 0.00 0.00 -1.33 0.00 0.00 58.87 56.13 1a67 n SER 36 Cb 0.27 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.02 0.00 -0.20 -3.46 4.05 0.84 -4.83 115.26 111.65 1a67 n ASN 37 Ca 0.13 0.00 0.02 0.00 0.45 0.00 0.00 54.58 55.19 1a67 n ASN 37 Cb 0.41 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.42 1a67 n ASN 37 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1a67 n ASP 38 N 1.42 -1.16 -2.74 1.20 -0.08 -1.26 -4.75 116.55 109.18 1a67 n ASP 38 Ca 0.00 0.18 -0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1a67 n ASP 38 Cb 0.00 -0.86 0.06 0.00 2.34 0.00 0.00 41.12 42.66 1a67 n ASP 38 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1a67 n LYS 39 N -0.90 1.59 0.00 -0.67 2.85 -1.26 -5.08 118.16 114.69 1a67 n LYS 39 Ca 0.00 -3.10 0.00 0.00 -1.05 0.00 0.00 58.31 54.16 1a67 n LYS 39 Cb 0.08 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 1a67 n LYS 39 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1a67 n TYR 40 N -0.68 0.00 0.00 5.58 4.01 -1.26 -3.09 117.16 121.72 1a67 n TYR 40 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1a67 n TYR 40 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.86 1a67 n TYR 40 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1a67 n SER 41 N 0.00 0.00 -4.63 7.72 3.41 -0.11 -4.93 113.62 115.07 1a67 n SER 41 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1a67 n SER 41 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1a67 n SER 41 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1a67 s SER 42 N 0.35 4.69 -0.12 4.04 0.01 -1.26 -1.00 113.70 120.41 1a67 s SER 42 Ca 0.00 -0.32 -0.31 0.00 1.31 0.00 0.00 55.95 56.63 1a67 s SER 42 Cb 0.00 -1.00 0.13 0.00 0.21 0.00 0.00 66.02 65.36 1a67 s SER 42 CO 0.00 0.16 1.05 -0.13 0.41 0.00 0.00 173.24 174.73 1a67 s ARG 43 N -2.40 0.55 0.41 12.44 0.52 0.27 -4.55 118.95 126.19 1a67 s ARG 43 Ca 0.24 -0.11 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 1a67 s ARG 43 Cb -0.11 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.62 1a67 s ARG 43 CO 0.16 -0.22 0.57 0.54 0.02 0.00 0.00 175.30 176.37 1a67 s VAL 44 N -2.26 3.51 0.09 3.52 0.11 -1.26 -1.13 120.40 122.97 1a67 s VAL 44 Ca 0.05 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 1a67 s VAL 44 Cb -0.01 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 1a67 s VAL 44 CO -0.05 -0.10 0.00 0.52 -3.33 0.00 0.00 175.10 172.14 1a67 n VAL 45 N -1.86 0.40 -3.66 2.04 0.31 -0.86 -4.73 118.33 109.97 1a67 n VAL 45 Ca 0.04 0.13 -0.07 0.00 -0.01 0.00 0.00 64.34 64.43 1a67 n VAL 45 Cb 0.59 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 1a67 n VAL 45 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1a67 n ARG 46 N -3.00 0.62 -5.28 5.55 1.74 -1.22 -5.03 116.66 110.04 1a67 n ARG 46 Ca 0.00 -1.58 -0.31 0.00 -0.77 0.00 0.00 57.85 55.19 1a67 n ARG 46 Cb 0.00 1.77 -0.16 0.00 -1.02 0.00 0.00 32.46 33.04 1a67 n ARG 46 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a67 s VAL 47 N -2.53 2.04 0.09 1.55 1.01 -1.26 -2.55 120.40 118.75 1a67 s VAL 47 Ca 0.14 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1a67 s VAL 47 Cb -0.02 -1.71 -0.24 0.00 0.00 0.00 0.00 36.38 34.41 1a67 s VAL 47 CO 0.10 0.57 1.18 0.40 0.00 0.00 0.00 175.10 177.36 1a67 h ILE 48 N 4.77 1.58 0.00 2.22 2.04 -1.57 -3.49 117.51 123.06 1a67 h ILE 48 Ca -0.38 -3.23 0.00 0.00 1.00 0.00 0.00 64.86 62.25 1a67 h ILE 48 Cb 1.15 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 40.10 1a67 h ILE 48 CO 0.47 0.92 0.00 -0.24 0.00 0.00 0.00 178.15 179.30 1a67 n SER 49 N -3.42 0.00 -3.77 1.72 2.88 -1.26 -4.99 113.62 104.78 1a67 n SER 49 Ca -0.05 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.23 1a67 n SER 49 Cb 0.98 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.27 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 -1.89 0.95 0.04 -1.46 0.00 -1.26 -3.60 121.76 114.53 1a67 s ALA 50 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.52 1a67 s ALA 50 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1a67 s ALA 50 CO 0.00 -0.83 -0.07 0.15 0.00 0.00 0.00 175.76 175.01 1a67 s LYS 51 N 1.87 2.45 -0.01 0.00 1.02 -0.63 -3.41 119.74 121.04 1a67 s LYS 51 Ca 0.02 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.23 1a67 s LYS 51 Cb -0.15 -2.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1a67 s LYS 51 CO -0.07 0.57 -0.11 -0.98 -0.92 0.00 0.00 175.35 173.85 1a67 s ARG 52 N -1.73 0.88 0.35 1.68 1.04 -0.54 -0.15 118.95 120.47 1a67 s ARG 52 Ca 0.19 -0.37 0.07 0.00 -1.04 0.00 0.00 55.73 54.58 1a67 s ARG 52 Cb -0.11 -0.84 -0.07 0.00 -2.04 0.00 0.00 34.95 31.89 1a67 s ARG 52 CO 0.11 0.22 -0.02 1.14 -0.04 0.00 0.00 175.30 176.70 1a67 s GLN 53 N -0.20 1.76 0.05 3.89 -2.07 -0.48 -2.45 119.66 120.16 1a67 s GLN 53 Ca 0.03 -1.95 -0.00 0.00 -1.82 0.00 0.00 55.36 51.62 1a67 s GLN 53 Cb -0.05 -1.38 -0.03 0.00 -1.09 0.00 0.00 33.01 30.46 1a67 s GLN 53 CO -0.00 -0.01 -0.04 -0.48 -1.32 0.00 0.00 175.29 173.44 1a67 s LEU 54 N -3.58 2.41 -0.38 2.60 -0.00 -1.26 -1.09 118.68 117.39 1a67 s LEU 54 Ca 0.33 -0.84 -0.02 0.00 -0.00 0.00 0.00 54.13 53.61 1a67 s LEU 54 Cb 0.06 0.12 0.24 0.00 -0.00 0.00 0.00 46.19 46.61 1a67 s LEU 54 CO 0.16 -0.48 1.08 1.33 -0.00 0.00 0.00 176.35 178.44 1a67 n VAL 55 N 0.57 0.00 0.00 1.48 0.24 -1.26 -4.90 118.33 114.47 1a67 n VAL 55 Ca -0.17 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 1a67 n VAL 55 Cb 0.59 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 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 2.04 0.00 0.00 -1.34 2.88 -1.26 -4.88 113.62 111.07 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 0.66 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 5.06 3.34 0.46 0.00 -1.26 -4.91 105.19 107.87 1a67 n GLY 57 Ca 0.00 -1.18 -0.18 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.12 1.60 -0.13 -0.61 1.01 -0.59 -4.37 121.20 118.00 1a67 s ILE 58 Ca 0.00 -2.17 -0.06 0.00 0.00 0.00 0.00 60.65 58.42 1a67 s ILE 58 Cb 0.00 -2.06 0.06 0.00 0.01 0.00 0.00 42.46 40.47 1a67 s ILE 58 CO 0.00 -0.58 0.29 -0.75 0.00 0.00 0.00 174.94 173.90 1a67 s LYS 59 N -3.68 0.21 0.31 2.79 2.20 -0.25 -1.44 119.74 119.88 1a67 s LYS 59 Ca 0.22 0.70 0.05 0.00 -0.36 0.00 0.00 55.97 56.58 1a67 s LYS 59 Cb 0.01 -0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.27 1a67 s LYS 59 CO 0.06 -0.22 0.45 0.71 -0.36 0.00 0.00 175.35 175.99 1a67 s TYR 60 N 1.89 3.30 -0.16 4.03 2.02 -0.00 -1.38 117.35 127.04 1a67 s TYR 60 Ca -0.04 -0.05 -0.04 0.00 -0.37 0.00 0.00 57.07 56.57 1a67 s TYR 60 Cb -0.11 -1.84 0.08 0.00 -0.40 0.00 0.00 41.96 39.69 1a67 s TYR 60 CO -0.09 0.16 0.27 0.96 -1.57 0.00 0.00 175.55 175.28 1a67 s ILE 61 N -2.14 -0.43 -0.03 2.71 -4.36 0.79 -0.62 121.20 117.12 1a67 s ILE 61 Ca 0.40 0.16 0.07 0.00 -0.26 0.00 0.00 60.65 61.02 1a67 s ILE 61 Cb -0.09 -0.54 -0.01 0.00 1.25 0.00 0.00 42.46 43.06 1a67 s ILE 61 CO 0.31 0.02 -0.24 -1.48 0.24 0.00 0.00 174.94 173.80 1a67 s LEU 62 N 2.42 2.04 -0.41 0.37 2.34 -0.59 -1.60 118.68 123.25 1a67 s LEU 62 Ca 0.03 -0.45 -0.04 0.00 0.06 0.00 0.00 54.13 53.73 1a67 s LEU 62 Cb -0.13 -1.26 0.11 0.00 -0.56 0.00 0.00 46.19 44.35 1a67 s LEU 62 CO -0.10 0.27 0.22 -1.10 -1.06 0.00 0.00 176.35 174.57 1a67 s GLN 63 N -0.37 2.16 0.29 1.48 -0.21 -1.24 -0.81 119.66 120.95 1a67 s GLN 63 Ca 0.04 -1.75 -0.03 0.00 0.02 0.00 0.00 55.36 53.64 1a67 s GLN 63 Cb -0.11 -3.64 -0.05 0.00 1.00 0.00 0.00 33.01 30.22 1a67 s GLN 63 CO 0.01 -1.06 0.52 0.14 -2.12 0.00 0.00 175.29 172.79 1a67 s VAL 64 N 1.21 5.07 -0.42 1.09 -7.23 0.14 -1.34 120.40 118.92 1a67 s VAL 64 Ca 0.07 -0.12 -0.06 0.00 -1.81 0.00 0.00 61.98 60.05 1a67 s VAL 64 Cb -0.23 -3.76 0.10 0.00 0.56 0.00 0.00 36.38 33.05 1a67 s VAL 64 CO -0.03 -0.35 0.24 -0.70 -0.31 0.00 0.00 175.10 173.96 1a67 s GLU 65 N -3.68 2.28 0.07 4.82 2.56 -1.06 -0.63 118.70 123.07 1a67 s GLU 65 Ca 0.42 -1.70 0.05 0.00 0.00 0.00 0.00 54.97 53.74 1a67 s GLU 65 Cb -0.11 -3.70 -0.04 0.00 2.00 0.00 0.00 34.13 32.29 1a67 s GLU 65 CO 0.31 -1.06 -0.06 0.96 -0.56 0.00 0.00 175.26 174.86 1a67 s ILE 66 N 1.27 3.67 0.35 -3.70 -4.36 0.25 -2.02 121.20 116.66 1a67 s ILE 66 Ca 0.06 -1.05 0.05 0.00 -0.26 0.00 0.00 60.65 59.45 1a67 s ILE 66 Cb -0.24 -2.70 -0.02 0.00 1.25 0.00 0.00 42.46 40.76 1a67 s ILE 66 CO -0.02 0.18 0.17 0.61 0.24 0.00 0.00 174.94 176.13 1a67 n GLY 67 N 0.86 3.21 3.89 6.27 0.00 -0.28 -0.34 105.19 118.80 1a67 n GLY 67 Ca -0.13 -2.03 -0.21 0.00 0.00 0.00 0.00 46.02 43.65 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 -3.36 2.96 0.37 1.61 0.52 -1.22 -0.56 118.95 119.26 1a67 s ARG 68 Ca 0.24 -1.09 -0.16 0.00 -0.52 0.00 0.00 55.73 54.20 1a67 s ARG 68 Cb 0.01 -2.62 0.06 0.00 0.52 0.00 0.00 34.95 32.92 1a67 s ARG 68 CO 0.17 0.23 0.82 0.95 0.02 0.00 0.00 175.30 177.49 1a67 s THR 69 N -2.18 0.00 -0.45 0.02 -4.23 -0.17 -3.98 115.64 104.64 1a67 s THR 69 Ca 0.38 -0.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1a67 s THR 69 Cb -0.08 -2.91 0.61 0.00 1.34 0.00 0.00 72.50 71.46 1a67 s THR 69 CO 0.27 0.00 1.85 1.07 -0.54 0.00 0.00 174.62 177.27 1a67 n THR 70 N -0.55 3.15 -4.19 3.99 5.66 -0.72 -0.94 114.28 120.69 1a67 n THR 70 Ca -0.08 -2.24 -0.17 0.00 -3.05 0.00 0.00 64.05 58.51 1a67 n THR 70 Cb 0.60 -0.55 -0.11 0.00 -1.55 0.00 0.00 70.33 68.71 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a67 n PRO 72 N 0.91 2.00 -1.12 0.00 -0.04 -1.18 -4.01 135.00 131.57 1a67 n PRO 72 Ca -0.18 -1.43 0.13 0.00 -0.04 0.00 0.00 63.50 61.97 1a67 n PRO 72 Cb 0.56 -1.89 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 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 1.55 -2.10 0.00 0.54 4.81 -1.26 -4.84 118.16 116.86 1a67 n LYS 73 Ca 0.39 1.54 0.00 0.00 -0.87 0.00 0.00 58.31 59.37 1a67 n LYS 73 Cb 0.70 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 33.10 1a67 n LYS 73 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1a67 n SER 74 N -4.26 0.00 0.00 3.14 7.64 -1.26 -5.08 113.62 113.79 1a67 n SER 74 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1a67 n SER 74 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1a67 n SER 74 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a67 n SER 75 N 0.00 0.00 -3.67 6.43 7.64 -1.26 -5.14 113.62 117.62 1a67 n SER 75 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1a67 n SER 75 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1a67 n SER 75 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1a67 s GLY 76 N 0.00 -0.30 0.54 0.23 0.00 -1.26 -5.14 107.32 101.38 1a67 s GLY 76 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1a67 s GLY 76 CO 0.00 0.37 0.00 1.22 0.00 0.00 0.00 173.10 174.69 1a67 n ASP 77 N -0.54 -8.88 -4.13 1.64 8.00 -1.26 -5.04 116.55 106.34 1a67 n ASP 77 Ca -0.07 1.30 -0.24 0.00 0.71 0.00 0.00 54.79 56.49 1a67 n ASP 77 Cb 0.62 -5.17 -0.09 0.00 -0.02 0.00 0.00 41.12 36.46 1a67 n ASP 77 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a67 s LEU 78 N -3.47 1.96 0.00 0.64 1.02 -1.26 -5.08 118.68 112.50 1a67 s LEU 78 Ca 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 54.13 52.54 1a67 s LEU 78 Cb 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 46.19 46.13 1a67 s LEU 78 CO 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 176.35 175.49 1a67 n GLN 79 N -0.82 0.00 0.00 1.70 6.02 -1.26 -5.13 117.38 117.89 1a67 n GLN 79 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1a67 n GLN 79 Cb 0.65 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.91 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 -0.46 0.00 -1.22 1.08 3.41 -1.26 -5.14 113.62 110.03 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 s GLU 82 N -4.94 1.25 0.00 0.00 2.02 -1.26 -5.00 118.70 110.77 1a67 s GLU 82 Ca 0.00 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 54.58 1a67 s GLU 82 Cb 0.00 0.58 0.22 0.00 0.10 0.00 0.00 34.13 35.02 1a67 s GLU 82 CO 0.00 -0.54 0.92 1.19 0.02 0.00 0.00 175.26 176.86 1a67 n PHE 83 N -0.29 0.00 -3.77 1.61 3.01 -1.26 -1.75 117.46 115.01 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 0.64 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 1a67 n PHE 83 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1a67 n HIS 84 N -1.24 0.00 -1.18 1.38 1.44 -1.26 -3.38 115.22 110.97 1a67 n HIS 84 Ca 0.02 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.80 1a67 n HIS 84 Cb 0.03 0.00 0.19 0.00 0.12 0.00 0.00 29.99 30.33 1a67 n HIS 84 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1a67 n ASP 85 N 1.59 2.73 -3.23 4.39 5.68 -1.26 -4.91 116.55 121.54 1a67 n ASP 85 Ca 0.00 -3.29 0.03 0.00 -0.50 0.00 0.00 54.79 51.03 1a67 n ASP 85 Cb 0.00 -0.51 -0.02 0.00 -1.14 0.00 0.00 41.12 39.45 1a67 n ASP 85 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1a67 s GLU 86 N -2.98 0.56 0.35 0.11 2.02 -1.26 -5.01 118.70 112.50 1a67 s GLU 86 Ca 0.38 1.07 0.21 0.00 0.02 0.00 0.00 54.97 56.65 1a67 s GLU 86 Cb 0.33 0.60 0.21 0.00 0.10 0.00 0.00 34.13 35.37 1a67 s GLU 86 CO 0.03 -0.54 1.44 -1.00 0.02 0.00 0.00 175.26 175.20 1a67 h PRO 87 N 8.00 0.00 -0.40 0.39 0.13 -1.99 -3.30 132.00 134.83 1a67 h PRO 87 Ca -0.22 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.01 1a67 h PRO 87 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1a67 h PRO 87 CO 0.23 0.09 0.28 0.93 -0.23 0.00 0.00 178.00 179.30 1a67 h GLU 88 N 0.00 0.10 -0.97 0.86 3.07 -2.03 -0.33 114.58 115.28 1a67 h GLU 88 Ca -0.01 -0.01 -0.58 0.00 -0.50 0.00 0.00 59.36 58.26 1a67 h GLU 88 Cb 1.08 -0.02 -0.40 0.00 -0.84 0.00 0.00 28.75 28.57 1a67 h GLU 88 CO 0.01 0.07 -0.49 0.00 -1.40 0.00 0.00 179.01 177.20 1a67 n MET 89 N -4.44 3.42 -0.80 2.33 0.00 -1.24 -5.07 117.12 111.32 1a67 n MET 89 Ca 0.06 -4.08 -0.26 0.00 0.00 0.00 0.00 57.70 53.42 1a67 n MET 89 Cb 0.40 -2.28 0.02 0.00 0.00 0.00 0.00 33.22 31.36 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 -0.69 -3.50 -3.31 3.17 0.00 -0.14 -4.96 120.51 111.07 1a67 n ALA 90 Ca 0.46 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 1a67 n ALA 90 Cb 0.84 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 19.33 1a67 n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a67 s LYS 91 N -1.02 0.53 0.29 0.00 1.02 -1.26 -5.09 119.74 114.22 1a67 s LYS 91 Ca 0.35 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 56.12 1a67 s LYS 91 Cb -0.25 -0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 36.66 1a67 s LYS 91 CO 0.52 -1.11 0.07 0.66 -0.92 0.00 0.00 175.35 174.57 1a67 n TYR 92 N 4.89 0.27 -3.55 3.18 4.02 -1.26 -3.40 117.16 121.31 1a67 n TYR 92 Ca 0.05 -1.74 -0.12 0.00 -0.01 0.00 0.00 57.90 56.08 1a67 n TYR 92 Cb 0.49 -0.06 -0.05 0.00 -0.02 0.00 0.00 39.34 39.70 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 -2.49 0.00 0.23 -0.72 2.01 0.54 -4.94 115.64 110.26 1a67 s THR 93 Ca 0.10 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 1a67 s THR 93 Cb 0.01 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1a67 s THR 93 CO 0.07 0.00 0.41 0.28 -0.69 0.00 0.00 174.62 174.70 1a67 s THR 94 N -1.46 5.19 0.12 -0.82 -1.32 -1.26 -0.58 115.64 115.51 1a67 s THR 94 Ca -0.03 -0.42 -0.14 0.00 -1.21 0.00 0.00 61.69 59.88 1a67 s THR 94 Cb -0.00 -3.76 0.03 0.00 -1.51 0.00 0.00 72.50 67.25 1a67 s THR 94 CO 0.02 -0.24 0.36 0.00 -2.21 0.00 0.00 174.62 172.55 1a67 s THR 96 N -3.82 -0.46 0.37 0.00 2.01 0.25 0.28 115.64 114.27 1a67 s THR 96 Ca 0.04 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1a67 s THR 96 Cb 0.02 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1a67 s THR 96 CO -0.11 0.03 0.56 -0.36 -0.69 0.00 0.00 174.62 174.05 1a67 s PHE 97 N 2.45 3.31 -0.15 4.92 0.08 0.01 0.25 117.98 128.85 1a67 s PHE 97 Ca 0.03 0.15 -0.01 0.00 0.12 0.00 0.00 56.93 57.22 1a67 s PHE 97 Cb -0.13 -2.04 0.04 0.00 -0.57 0.00 0.00 43.02 40.32 1a67 s PHE 97 CO -0.11 -0.05 -0.06 0.08 -0.10 0.00 0.00 175.22 174.99 1a67 s VAL 98 N -2.34 1.06 0.36 -0.44 1.01 -0.94 -1.54 120.40 117.56 1a67 s VAL 98 Ca 0.43 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 1a67 s VAL 98 Cb -0.10 -1.20 -0.10 0.00 0.00 0.00 0.00 36.38 34.99 1a67 s VAL 98 CO 0.35 0.19 0.84 -0.69 0.00 0.00 0.00 175.10 175.79 1a67 s VAL 99 N 1.67 4.51 -0.14 2.92 1.01 0.21 -2.63 120.40 127.94 1a67 s VAL 99 Ca 0.02 1.27 -0.01 0.00 0.00 0.00 0.00 61.98 63.26 1a67 s VAL 99 Cb -0.14 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1a67 s VAL 99 CO -0.08 -0.18 -0.01 -0.47 0.00 0.00 0.00 175.10 174.36 1a67 s TYR 100 N -2.00 1.17 -0.03 5.22 5.04 -0.72 -0.82 117.35 125.21 1a67 s TYR 100 Ca 0.56 -0.71 0.07 0.00 -2.44 0.00 0.00 57.07 54.55 1a67 s TYR 100 Cb -0.11 -1.07 -0.02 0.00 0.35 0.00 0.00 41.96 41.11 1a67 s TYR 100 CO 0.16 -0.52 -0.24 -1.54 -1.34 0.00 0.00 175.55 172.07 1a67 s SER 101 N 1.81 3.18 -0.06 4.32 1.04 -0.52 0.27 113.70 123.74 1a67 s SER 101 Ca 0.02 -0.45 -0.30 0.00 0.48 0.00 0.00 55.95 55.70 1a67 s SER 101 Cb -0.15 -0.53 0.11 0.00 0.10 0.00 0.00 66.02 65.55 1a67 s SER 101 CO -0.07 0.30 0.95 -0.51 0.98 0.00 0.00 173.24 174.89 1a67 s ILE 102 N -0.51 0.00 0.06 -1.02 2.07 -0.81 -1.54 121.20 119.46 1a67 s ILE 102 Ca 0.07 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.31 1a67 s ILE 102 Cb -0.11 -1.00 -0.26 0.00 0.13 0.00 0.00 42.46 41.22 1a67 s ILE 102 CO 0.00 0.00 1.08 1.55 -1.91 0.00 0.00 174.94 175.66 1a67 h PRO 103 N 2.10 0.18 -0.63 3.50 0.13 -1.91 0.24 132.00 135.61 1a67 h PRO 103 Ca -0.20 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1a67 h PRO 103 Cb 1.22 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1a67 h PRO 103 CO 0.30 1.09 0.00 -2.67 -0.23 0.00 0.00 178.00 176.49 1a67 n TRP 104 N -3.43 0.25 0.04 1.56 2.14 -1.26 -4.02 117.44 112.72 1a67 n TRP 104 Ca -0.09 -0.10 0.00 0.00 2.07 0.00 0.00 57.50 59.39 1a67 n TRP 104 Cb 1.01 -0.10 0.00 0.00 -0.81 0.00 0.00 31.31 31.41 1a67 n TRP 104 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1a67 n LEU 105 N -0.00 0.20 0.00 5.67 7.99 -1.24 -5.08 117.00 124.54 1a67 n LEU 105 Ca 0.04 0.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.16 1a67 n LEU 105 Cb 0.28 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 1a67 n LEU 105 CO 0.04 -0.44 0.00 -3.20 -1.51 0.00 0.00 177.39 172.28 1a67 n ASN 106 N -3.06 0.00 -0.10 -1.43 5.15 -1.02 -5.07 115.26 109.72 1a67 n ASN 106 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1a67 n ASN 106 Cb 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1a67 n ASN 106 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1a67 n GLN 107 N 0.00 0.00 -0.90 1.20 -0.06 0.82 -4.77 117.38 113.66 1a67 n GLN 107 Ca 0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.66 1a67 n GLN 107 Cb 0.00 0.00 0.10 0.00 -4.06 0.00 0.00 30.24 26.28 1a67 n GLN 107 CO 0.00 0.00 0.00 1.51 -0.20 0.00 0.00 177.06 178.37 1a67 n ILE 108 N -0.21 0.33 -4.00 1.69 3.06 -1.26 -1.91 119.36 117.06 1a67 n ILE 108 Ca 0.00 -0.26 -0.12 0.00 -2.50 0.00 0.00 62.75 59.87 1a67 n ILE 108 Cb 0.00 -0.58 -0.03 0.00 0.54 0.00 0.00 39.64 39.58 1a67 n ILE 108 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1a67 s LYS 109 N -3.30 1.94 -0.75 9.51 2.20 0.78 -4.79 119.74 125.34 1a67 s LYS 109 Ca 0.57 -1.59 0.03 0.00 -0.36 0.00 0.00 55.97 54.62 1a67 s LYS 109 Cb -0.23 0.50 0.18 0.00 -1.51 0.00 0.00 37.83 36.77 1a67 s LYS 109 CO 0.67 -0.84 0.56 -1.17 -0.36 0.00 0.00 175.35 174.22 1a67 s LEU 110 N -3.16 5.00 0.00 5.43 1.98 -1.26 -1.75 118.68 124.93 1a67 s LEU 110 Ca 0.25 -3.82 -0.01 0.00 -2.89 0.00 0.00 54.13 47.67 1a67 s LEU 110 Cb -0.02 -1.71 -0.00 0.00 0.66 0.00 0.00 46.19 45.12 1a67 s LEU 110 CO 0.16 -0.11 1.01 0.25 -1.89 0.00 0.00 176.35 175.77 1a67 h LEU 111 N 5.56 -0.04 0.00 -0.68 5.85 -1.81 -3.48 115.31 120.71 1a67 h LEU 111 Ca 0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1a67 h LEU 111 Cb 0.77 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1a67 h LEU 111 CO 0.75 -0.01 0.00 -1.84 -0.34 0.00 0.00 178.44 177.00 1a67 n GLU 112 N -2.85 -2.29 -4.14 1.25 0.28 -1.24 -5.03 120.64 106.62 1a67 n GLU 112 Ca -0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 1a67 n GLU 112 Cb 0.01 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.81 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 -1.53 5.12 -0.44 -1.84 1.04 -1.26 -2.22 113.70 112.57 1a67 s SER 113 Ca 0.00 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.21 1a67 s SER 113 Cb 0.00 -1.22 0.15 0.00 0.10 0.00 0.00 66.02 65.05 1a67 s SER 113 CO 0.00 0.10 0.29 -0.54 0.98 0.00 0.00 173.24 174.07 1a67 s LYS 114 N -2.87 1.10 0.28 4.02 -0.14 0.14 -4.95 119.74 117.32 1a67 s LYS 114 Ca 0.28 -1.99 0.03 0.00 -1.36 0.00 0.00 55.97 52.93 1a67 s LYS 114 Cb -0.10 -1.89 -0.06 0.00 -1.68 0.00 0.00 37.83 34.10 1a67 s LYS 114 CO 0.20 -1.26 0.05 0.00 -0.76 0.00 0.00 175.35 173.59