#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 -3.30 -1.96 4.61 0.00 -1.26 -4.85 120.51 113.76 1a67 n ALA 10 Ca 0.00 0.48 -0.31 0.00 0.00 0.00 0.00 53.44 53.62 1a67 n ALA 10 Cb 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.48 3.73 0.19 0.00 0.04 -1.26 -4.46 135.00 130.76 1a67 s PRO 11 Ca 0.00 0.71 -0.20 0.00 0.04 0.00 0.00 61.00 61.55 1a67 s PRO 11 Cb 0.00 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.40 1a67 s PRO 11 CO 0.00 -0.35 0.57 0.14 0.04 0.00 0.00 177.00 177.40 1a67 s VAL 12 N -2.83 0.02 0.82 -0.36 -7.23 -0.97 -5.05 120.40 104.80 1a67 s VAL 12 Ca 0.55 -0.50 -0.12 0.00 -1.81 0.00 0.00 61.98 60.10 1a67 s VAL 12 Cb -0.10 -1.38 0.08 0.00 0.56 0.00 0.00 36.38 35.53 1a67 s VAL 12 CO 0.42 -0.07 1.12 -2.16 -0.31 0.00 0.00 175.10 174.09 1a67 s PRO 13 N -3.83 1.90 -0.11 4.82 0.04 -1.26 -1.20 135.00 135.37 1a67 s PRO 13 Ca 0.06 0.47 -0.01 0.00 0.04 0.00 0.00 61.00 61.56 1a67 s PRO 13 Cb -0.02 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1a67 s PRO 13 CO -0.06 -1.71 -0.06 0.08 0.04 0.00 0.00 177.00 175.28 1a67 s VAL 14 N -3.25 3.69 -0.19 -0.36 1.01 -1.25 -4.51 120.40 115.54 1a67 s VAL 14 Ca 0.61 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1a67 s VAL 14 Cb -0.14 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1a67 s VAL 14 CO 0.53 0.55 0.29 1.51 0.00 0.00 0.00 175.10 177.98 1a67 s ASP 15 N -0.22 6.36 -0.15 3.32 1.47 -1.26 -4.95 116.67 121.24 1a67 s ASP 15 Ca 0.03 0.42 0.05 0.00 1.18 0.00 0.00 52.55 54.23 1a67 s ASP 15 Cb -0.13 -2.18 0.37 0.00 -0.34 0.00 0.00 42.92 40.65 1a67 s ASP 15 CO 0.03 0.05 1.23 1.21 0.68 0.00 0.00 175.17 178.36 1a67 n GLU 16 N 3.96 2.41 0.00 2.11 0.00 -1.26 -3.85 120.64 124.01 1a67 n GLU 16 Ca -0.12 -1.49 0.12 0.00 0.00 0.00 0.00 57.16 55.67 1a67 n GLU 16 Cb 0.52 -1.76 0.22 0.00 0.00 0.00 0.00 31.44 30.42 1a67 n GLU 16 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1a67 n ASN 17 N 0.08 1.88 -4.71 4.31 4.13 -1.26 -4.87 115.26 114.83 1a67 n ASN 17 Ca 0.19 -1.46 -0.38 0.00 1.68 0.00 0.00 54.58 54.61 1a67 n ASN 17 Cb 0.84 0.19 -0.06 0.00 -1.54 0.00 0.00 39.78 39.20 1a67 n ASN 17 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1a67 s ASP 18 N -2.28 6.59 0.18 6.41 2.15 -1.25 -4.95 116.67 123.52 1a67 s ASP 18 Ca 0.26 0.70 0.25 0.00 0.43 0.00 0.00 52.55 54.20 1a67 s ASP 18 Cb 0.19 -2.26 0.90 0.00 -0.30 0.00 0.00 42.92 41.45 1a67 s ASP 18 CO 0.45 -0.01 1.77 1.21 -0.17 0.00 0.00 175.17 178.42 1a67 n GLU 19 N 3.88 0.20 0.28 4.34 4.07 -1.26 -3.10 120.64 129.04 1a67 n GLU 19 Ca -0.08 0.24 0.18 0.00 -0.06 0.00 0.00 57.16 57.44 1a67 n GLU 19 Cb 0.51 -1.77 0.79 0.00 -0.06 0.00 0.00 31.44 30.91 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 3.97 0.00 2.00 8.31 0.00 -2.00 -2.24 103.07 113.10 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 -0.58 3.11 7.12 -1.95 -3.05 115.31 119.97 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 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1a67 h LEU 21 CO 0.00 0.00 0.00 1.67 -0.13 0.00 0.00 178.44 179.98 1a67 n GLN 22 N -2.94 0.07 -0.08 1.25 0.00 -0.84 -2.25 117.38 112.60 1a67 n GLN 22 Ca 0.03 0.50 -0.11 0.00 -0.00 0.00 0.00 57.00 57.42 1a67 n GLN 22 Cb 0.41 -1.70 -0.06 0.00 0.00 0.00 0.00 30.24 28.88 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 0.00 3.69 9.65 -1.74 -3.30 114.38 122.68 1a67 h ARG 23 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1a67 h ARG 23 Cb 0.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1a67 h ARG 23 CO 0.00 0.46 0.06 0.00 2.80 0.00 0.00 179.97 183.29 1a67 h ALA 24 N -0.70 1.05 -0.08 2.80 0.00 -1.67 -1.36 119.26 119.30 1a67 h ALA 24 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1a67 h ALA 24 Cb 0.74 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1a67 h ALA 24 CO -0.07 -0.05 -0.65 1.25 0.00 0.00 0.00 179.25 179.73 1a67 h LEU 25 N 0.00 0.71 -0.99 0.00 7.12 -1.55 -2.90 115.31 117.70 1a67 h LEU 25 Ca 0.00 -0.67 0.00 0.00 0.13 0.00 0.00 57.88 57.34 1a67 h LEU 25 Cb 0.13 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1a67 h LEU 25 CO 0.00 1.28 0.00 0.00 -0.13 0.00 0.00 178.44 179.59 1a67 n GLN 26 N -4.12 0.12 -0.01 1.25 6.02 -0.51 -1.89 117.38 118.24 1a67 n GLN 26 Ca -0.09 0.56 -0.17 0.00 -0.01 0.00 0.00 57.00 57.29 1a67 n GLN 26 Cb 0.68 -1.85 -0.09 0.00 1.02 0.00 0.00 30.24 30.00 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 0.72 -0.18 1.08 3.04 -1.53 -3.28 116.94 116.79 1a67 h PHE 27 Ca 0.00 -0.34 -0.12 0.00 3.98 0.00 0.00 57.97 61.49 1a67 h PHE 27 Cb 0.08 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 1a67 h PHE 27 CO 0.00 1.14 -0.42 0.00 -2.02 0.00 0.00 178.31 177.00 1a67 h ALA 28 N 0.43 0.95 0.00 2.41 0.00 -1.44 -2.85 119.26 118.75 1a67 h ALA 28 Ca -0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1a67 h ALA 28 Cb 1.24 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1a67 h ALA 28 CO 0.12 0.63 -0.04 0.52 0.00 0.00 0.00 179.25 180.48 1a67 h MET 29 N 0.34 0.00 0.06 0.00 2.86 -1.60 -2.20 114.93 114.39 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 0.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1a67 h MET 29 CO 0.07 0.04 -0.03 0.00 1.06 0.00 0.00 176.91 178.05 1a67 h ALA 30 N 1.96 -0.08 -0.72 6.32 0.00 -1.57 -2.76 119.26 122.41 1a67 h ALA 30 Ca -0.00 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1a67 h ALA 30 Cb 0.18 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1a67 h ALA 30 CO 0.01 -0.10 0.45 0.93 0.00 0.00 0.00 179.25 180.53 1a67 h GLU 31 N -0.96 0.84 -0.02 0.00 5.08 -1.56 -1.11 114.58 116.84 1a67 h GLU 31 Ca -0.01 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1a67 h GLU 31 Cb 0.50 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1a67 h GLU 31 CO 0.01 0.55 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.46 1a67 h TYR 32 N 0.86 0.04 0.00 4.33 3.20 -1.52 -1.56 116.97 122.32 1a67 h TYR 32 Ca 0.29 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1a67 h TYR 32 Cb 0.05 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1a67 h TYR 32 CO -0.04 0.23 0.00 -1.71 -1.64 0.00 0.00 178.16 175.00 1a67 n ASN 33 N -4.29 0.60 0.08 -2.11 5.15 -0.43 -1.36 115.26 112.89 1a67 n ASN 33 Ca -0.02 0.70 0.12 0.00 -0.60 0.00 0.00 54.58 54.78 1a67 n ASN 33 Cb 0.27 -0.80 0.46 0.00 -0.53 0.00 0.00 39.78 39.17 1a67 n ASN 33 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1a67 n ARG 34 N -2.21 0.15 0.07 1.20 0.63 -0.59 -2.51 116.66 113.40 1a67 n ARG 34 Ca 0.01 0.23 0.13 0.00 -0.92 0.00 0.00 57.85 57.30 1a67 n ARG 34 Cb 0.15 -1.72 0.39 0.00 0.45 0.00 0.00 32.46 31.73 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 -1.68 2.48 1.39 5.13 0.00 -0.47 -3.43 120.51 123.93 1a67 n ALA 35 Ca 0.05 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.49 1a67 n ALA 35 Cb 0.32 -1.40 0.60 0.00 0.00 0.00 0.00 19.45 18.98 1a67 n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a67 n SER 36 N -2.05 0.00 -0.49 0.00 3.41 -1.05 -2.16 113.62 111.28 1a67 n SER 36 Ca 0.05 -0.75 0.05 0.00 -0.26 0.00 0.00 58.87 57.96 1a67 n SER 36 Cb 0.41 0.00 0.11 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 -0.96 2.58 -3.36 4.04 4.05 -1.22 -5.00 115.26 115.39 1a67 n ASN 37 Ca 0.15 -1.89 0.00 0.00 0.45 0.00 0.00 54.58 53.29 1a67 n ASN 37 Cb 0.07 -0.16 0.00 0.00 1.23 0.00 0.00 39.78 40.92 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 0.36 -0.31 -1.66 1.20 5.75 -0.92 -4.97 116.55 116.01 1a67 n ASP 38 Ca 0.09 -0.10 -0.07 0.00 -0.01 0.00 0.00 54.79 54.69 1a67 n ASP 38 Cb 0.36 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.54 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 -0.41 2.25 0.00 0.11 2.85 -1.26 -4.74 118.16 116.96 1a67 n LYS 39 Ca 0.00 -3.53 0.00 0.00 -1.05 0.00 0.00 58.31 53.73 1a67 n LYS 39 Cb 0.00 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 32.69 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 -0.67 0.00 -4.59 5.58 4.01 -1.26 -4.43 117.16 115.80 1a67 n TYR 40 Ca 0.26 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.77 1a67 n TYR 40 Cb 0.88 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.77 1a67 n TYR 40 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1a67 s SER 41 N 2.00 1.96 -0.08 7.72 1.04 -0.66 -4.46 113.70 121.22 1a67 s SER 41 Ca 0.00 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.04 1a67 s SER 41 Cb 0.00 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 1a67 s SER 41 CO 0.00 0.13 -0.10 -0.44 0.98 0.00 0.00 173.24 173.82 1a67 s SER 42 N -0.83 4.39 -0.05 7.02 0.01 -1.26 -0.83 113.70 122.16 1a67 s SER 42 Ca 0.05 -0.12 -0.15 0.00 1.31 0.00 0.00 55.95 57.03 1a67 s SER 42 Cb -0.07 -1.18 0.03 0.00 0.21 0.00 0.00 66.02 65.01 1a67 s SER 42 CO 0.01 0.32 0.35 -0.13 0.41 0.00 0.00 173.24 174.19 1a67 s ARG 43 N -0.54 0.63 0.03 12.44 1.81 -0.73 -4.96 118.95 127.64 1a67 s ARG 43 Ca 0.08 0.00 -0.06 0.00 -1.72 0.00 0.00 55.73 54.03 1a67 s ARG 43 Cb -0.12 0.29 -0.05 0.00 -0.45 0.00 0.00 34.95 34.62 1a67 s ARG 43 CO 0.02 -0.16 0.29 0.54 -0.68 0.00 0.00 175.30 175.30 1a67 s VAL 44 N -0.96 5.28 -0.27 3.52 0.11 -1.26 -1.03 120.40 125.78 1a67 s VAL 44 Ca -0.10 0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 58.95 1a67 s VAL 44 Cb -0.04 -3.58 -0.12 0.00 -1.53 0.00 0.00 36.38 31.11 1a67 s VAL 44 CO 0.04 0.31 -0.36 0.52 -3.33 0.00 0.00 175.10 172.28 1a67 n VAL 45 N 0.94 1.52 -3.74 2.04 0.31 -1.15 -4.90 118.33 113.35 1a67 n VAL 45 Ca -0.10 -0.36 -0.06 0.00 -0.01 0.00 0.00 64.34 63.81 1a67 n VAL 45 Cb 0.53 -1.90 0.02 0.00 -0.91 0.00 0.00 33.84 31.58 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 -4.26 0.87 -4.76 5.55 5.12 -1.26 -5.06 116.66 112.85 1a67 n ARG 46 Ca -0.53 -1.75 -0.30 0.00 -1.93 0.00 0.00 57.85 53.34 1a67 n ARG 46 Cb 0.87 2.23 -0.14 0.00 -1.16 0.00 0.00 32.46 34.26 1a67 n ARG 46 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1a67 s VAL 47 N -2.18 2.25 -0.04 1.55 1.01 -1.26 -3.18 120.40 118.55 1a67 s VAL 47 Ca 0.16 -1.45 -0.07 0.00 0.00 0.00 0.00 61.98 60.62 1a67 s VAL 47 Cb -0.04 -1.91 -0.29 0.00 0.00 0.00 0.00 36.38 34.15 1a67 s VAL 47 CO 0.09 0.30 0.69 0.40 0.00 0.00 0.00 175.10 176.57 1a67 h ILE 48 N 4.11 0.96 0.00 2.22 2.04 -1.43 -3.49 117.51 121.92 1a67 h ILE 48 Ca -0.48 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 62.79 1a67 h ILE 48 Cb 1.15 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 1a67 h ILE 48 CO 0.43 0.83 0.00 -0.24 0.00 0.00 0.00 178.15 179.17 1a67 n SER 49 N -3.50 0.00 -3.81 1.72 2.88 -1.26 -5.00 113.62 104.65 1a67 n SER 49 Ca -0.23 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.07 1a67 n SER 49 Cb 1.06 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.35 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 0.91 0.13 -1.46 0.00 -1.26 -3.47 121.76 114.61 1a67 s ALA 50 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 51.96 51.76 1a67 s ALA 50 Cb 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1a67 s ALA 50 CO 0.00 -0.47 -0.17 0.15 0.00 0.00 0.00 175.76 175.27 1a67 s LYS 51 N 1.89 1.12 -0.01 0.00 3.01 -0.69 -3.79 119.74 121.26 1a67 s LYS 51 Ca 0.05 -1.25 0.05 0.00 -1.01 0.00 0.00 55.97 53.81 1a67 s LYS 51 Cb -0.12 -1.18 -0.01 0.00 -1.01 0.00 0.00 37.83 35.50 1a67 s LYS 51 CO -0.06 0.25 -0.17 -0.98 0.51 0.00 0.00 175.35 174.89 1a67 s ARG 52 N -2.43 1.44 0.37 1.68 1.70 -0.34 -0.50 118.95 120.87 1a67 s ARG 52 Ca 0.10 -0.63 0.08 0.00 -0.47 0.00 0.00 55.73 54.81 1a67 s ARG 52 Cb -0.07 -1.38 -0.06 0.00 -0.57 0.00 0.00 34.95 32.87 1a67 s ARG 52 CO 0.05 0.37 0.04 -0.65 -1.08 0.00 0.00 175.30 174.03 1a67 s GLN 53 N -0.39 2.08 0.00 3.89 -0.21 -0.31 -2.30 119.66 122.42 1a67 s GLN 53 Ca 0.06 -1.84 0.07 0.00 0.02 0.00 0.00 55.36 53.68 1a67 s GLN 53 Cb -0.07 -1.88 -0.02 0.00 1.00 0.00 0.00 33.01 32.04 1a67 s GLN 53 CO -0.01 0.05 -0.23 -0.48 -2.12 0.00 0.00 175.29 172.50 1a67 s LEU 54 N -3.75 2.08 -0.45 2.90 0.05 -1.26 -1.21 118.68 117.03 1a67 s LEU 54 Ca 0.36 -0.45 0.04 0.00 0.05 0.00 0.00 54.13 54.13 1a67 s LEU 54 Cb 0.03 -1.16 0.25 0.00 -2.05 0.00 0.00 46.19 43.26 1a67 s LEU 54 CO 0.20 0.26 0.98 1.33 -0.55 0.00 0.00 176.35 178.56 1a67 n VAL 55 N 2.31 0.00 0.00 1.48 0.24 -1.26 -4.91 118.33 116.19 1a67 n VAL 55 Ca -0.16 -1.32 0.00 0.00 -2.04 0.00 0.00 64.34 60.82 1a67 n VAL 55 Cb 0.52 1.41 0.00 0.00 -1.47 0.00 0.00 33.84 34.30 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 1.54 0.00 0.00 -1.34 2.88 -1.26 -4.86 113.62 110.59 1a67 n SER 56 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 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 5.65 3.63 0.46 0.00 -1.26 -5.03 105.19 108.64 1a67 n GLY 57 Ca 0.00 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 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 1.08 3.59 -0.06 -0.61 -1.09 -0.68 -4.42 121.20 119.01 1a67 s ILE 58 Ca 0.00 -1.37 -0.01 0.00 -2.23 0.00 0.00 60.65 57.04 1a67 s ILE 58 Cb 0.00 -2.76 0.03 0.00 -1.58 0.00 0.00 42.46 38.15 1a67 s ILE 58 CO 0.00 -0.03 0.01 -0.75 -1.23 0.00 0.00 174.94 172.95 1a67 s LYS 59 N -2.66 0.42 0.34 2.79 2.20 -0.35 -1.42 119.74 121.06 1a67 s LYS 59 Ca 0.25 0.17 -0.05 0.00 -0.36 0.00 0.00 55.97 55.98 1a67 s LYS 59 Cb -0.10 -0.82 -0.05 0.00 -1.51 0.00 0.00 37.83 35.35 1a67 s LYS 59 CO 0.17 -0.29 0.62 0.71 -0.36 0.00 0.00 175.35 176.20 1a67 s TYR 60 N 1.94 3.49 -0.16 4.03 2.02 0.00 -1.16 117.35 127.51 1a67 s TYR 60 Ca 0.04 0.71 -0.06 0.00 -0.37 0.00 0.00 57.07 57.39 1a67 s TYR 60 Cb -0.12 -2.17 0.08 0.00 -0.40 0.00 0.00 41.96 39.34 1a67 s TYR 60 CO -0.04 0.06 0.34 0.96 -1.57 0.00 0.00 175.55 175.29 1a67 s ILE 61 N -2.25 -0.49 -0.05 2.71 -4.36 0.35 -1.08 121.20 116.03 1a67 s ILE 61 Ca 0.45 0.22 0.06 0.00 -0.26 0.00 0.00 60.65 61.12 1a67 s ILE 61 Cb -0.10 -0.55 -0.01 0.00 1.25 0.00 0.00 42.46 43.05 1a67 s ILE 61 CO 0.33 0.09 -0.24 -1.48 0.24 0.00 0.00 174.94 173.87 1a67 s LEU 62 N 2.42 2.06 -0.44 0.37 2.34 -0.50 -1.70 118.68 123.22 1a67 s LEU 62 Ca -0.01 -0.50 -0.08 0.00 0.06 0.00 0.00 54.13 53.61 1a67 s LEU 62 Cb -0.12 -1.34 0.11 0.00 -0.56 0.00 0.00 46.19 44.28 1a67 s LEU 62 CO -0.11 0.24 0.29 -1.10 -1.06 0.00 0.00 176.35 174.61 1a67 s GLN 63 N -0.17 2.40 0.21 1.48 -0.21 -1.23 -0.33 119.66 121.82 1a67 s GLN 63 Ca -0.03 -1.70 0.06 0.00 0.02 0.00 0.00 55.36 53.71 1a67 s GLN 63 Cb -0.13 -3.80 -0.04 0.00 1.00 0.00 0.00 33.01 30.04 1a67 s GLN 63 CO 0.03 -1.10 0.19 0.14 -2.12 0.00 0.00 175.29 172.43 1a67 s VAL 64 N 1.33 4.58 -0.93 1.09 -7.23 0.21 -0.98 120.40 118.46 1a67 s VAL 64 Ca 0.05 -1.20 -0.06 0.00 -1.81 0.00 0.00 61.98 58.96 1a67 s VAL 64 Cb -0.25 -3.41 0.23 0.00 0.56 0.00 0.00 36.38 33.51 1a67 s VAL 64 CO -0.01 -0.24 0.85 -0.70 -0.31 0.00 0.00 175.10 174.69 1a67 s GLU 65 N -3.52 3.54 0.02 4.82 2.12 -1.19 -1.26 118.70 123.22 1a67 s GLU 65 Ca 0.32 -3.09 -0.24 0.00 0.36 0.00 0.00 54.97 52.32 1a67 s GLU 65 Cb -0.09 -4.18 -0.05 0.00 0.26 0.00 0.00 34.13 30.07 1a67 s GLU 65 CO 0.25 -1.25 0.74 0.96 -0.54 0.00 0.00 175.26 175.42 1a67 s ILE 66 N -1.01 4.81 0.32 -3.70 -4.36 0.27 -2.96 121.20 114.58 1a67 s ILE 66 Ca 0.26 1.57 0.08 0.00 -0.26 0.00 0.00 60.65 62.31 1a67 s ILE 66 Cb -0.10 -4.09 -0.04 0.00 1.25 0.00 0.00 42.46 39.48 1a67 s ILE 66 CO -0.10 0.34 0.12 -0.83 0.24 0.00 0.00 174.94 174.72 1a67 s GLY 67 N 0.12 1.83 0.22 6.27 0.00 -0.20 0.12 107.32 115.68 1a67 s GLY 67 Ca 0.38 -1.75 0.08 0.00 0.00 0.00 0.00 44.72 43.43 1a67 s GLY 67 CO 0.22 -1.71 0.06 0.50 0.00 0.00 0.00 173.10 172.17 1a67 s ARG 68 N -3.82 2.56 0.28 2.90 0.52 -1.26 -1.77 118.95 118.36 1a67 s ARG 68 Ca 0.36 -1.16 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 1a67 s ARG 68 Cb -0.04 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 1a67 s ARG 68 CO 0.22 0.42 0.14 -0.08 0.02 0.00 0.00 175.30 176.02 1a67 s THR 69 N -2.01 0.38 0.00 0.02 -1.32 -0.01 -3.95 115.64 108.75 1a67 s THR 69 Ca 0.30 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.78 1a67 s THR 69 Cb -0.08 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 1a67 s THR 69 CO 0.21 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.97 1a67 n THR 70 N -0.53 0.00 -3.37 5.08 -2.24 -0.49 -1.87 114.28 110.86 1a67 n THR 70 Ca 0.01 0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.56 1a67 n THR 70 Cb 0.65 -0.44 0.01 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.47 3.21 -3.96 0.00 -0.04 -1.26 -3.38 135.00 128.10 1a67 n PRO 72 Ca -0.20 -3.19 -0.38 0.00 -0.04 0.00 0.00 63.50 59.70 1a67 n PRO 72 Cb 0.56 -3.21 0.01 0.00 -0.04 0.00 0.00 33.50 30.82 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 6.04 -1.01 0.00 0.54 4.81 -1.26 -4.81 118.16 122.46 1a67 n LYS 73 Ca 0.46 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1a67 n LYS 73 Cb 0.41 -3.41 0.00 0.00 0.02 0.00 0.00 35.03 32.05 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 -2.50 0.00 -1.46 3.14 7.64 -1.26 -5.10 113.62 114.08 1a67 n SER 74 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1a67 n SER 74 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 1.12 -0.07 6.43 7.64 -1.26 -5.07 113.62 122.41 1a67 n SER 75 Ca 0.00 -0.93 -0.07 0.00 1.01 0.00 0.00 58.87 58.87 1a67 n SER 75 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1a67 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a67 n GLY 76 N 2.81 -0.69 0.00 0.23 0.00 -1.26 -4.90 105.19 101.37 1a67 n GLY 76 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1a67 n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a67 n ASP 77 N -2.57 1.81 -4.26 1.61 5.75 -1.26 -4.73 116.55 112.90 1a67 n ASP 77 Ca -0.24 -0.84 -0.32 0.00 -0.01 0.00 0.00 54.79 53.38 1a67 n ASP 77 Cb 0.97 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.98 1a67 n ASP 77 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1a67 n LEU 78 N 0.00 -1.26 0.00 -2.12 4.77 -1.26 -4.62 117.00 112.51 1a67 n LEU 78 Ca 0.00 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1a67 n LEU 78 Cb 0.00 -1.76 0.00 0.00 -2.33 0.00 0.00 43.42 39.33 1a67 n LEU 78 CO 0.00 0.41 0.00 0.00 -1.33 0.00 0.00 177.39 176.47 1a67 n GLN 79 N -4.47 0.00 0.00 3.23 6.02 -1.26 -5.00 117.38 115.90 1a67 n GLN 79 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 1a67 n GLN 79 Cb 0.66 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.92 1a67 n GLN 79 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1a67 n SER 80 N -0.12 0.00 0.00 1.08 2.88 -1.26 -5.10 113.62 111.10 1a67 n SER 80 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1a67 n SER 80 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1a67 n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a67 n GLU 82 N 2.65 -2.72 -0.30 0.00 -0.58 -1.26 -3.72 120.64 114.71 1a67 n GLU 82 Ca 0.00 2.13 0.33 0.00 -0.42 0.00 0.00 57.16 59.19 1a67 n GLU 82 Cb 0.00 -2.70 0.53 0.00 -0.57 0.00 0.00 31.44 28.71 1a67 n GLU 82 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1a67 h PHE 83 N -0.02 0.00 0.00 -0.32 -1.00 -1.91 -1.31 116.94 112.38 1a67 h PHE 83 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1a67 h PHE 83 Cb 0.69 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.25 1a67 h PHE 83 CO 0.05 0.00 0.00 -2.39 -1.61 0.00 0.00 178.31 174.36 1a67 n HIS 84 N -3.42 0.00 -4.50 -0.55 1.44 -1.26 -3.30 115.22 103.63 1a67 n HIS 84 Ca 0.27 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.98 1a67 n HIS 84 Cb 1.58 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.69 1a67 n HIS 84 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1a67 n ASP 85 N 0.00 0.00 -4.90 4.39 9.92 -1.26 -4.72 116.55 119.98 1a67 n ASP 85 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.97 1a67 n ASP 85 Cb 0.00 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1a67 n ASP 85 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1a67 s GLU 86 N 0.00 3.05 0.05 -1.24 2.02 -1.26 -4.96 118.70 116.36 1a67 s GLU 86 Ca 0.00 0.31 -0.14 0.00 0.02 0.00 0.00 54.97 55.16 1a67 s GLU 86 Cb 0.00 -2.15 -0.32 0.00 0.10 0.00 0.00 34.13 31.76 1a67 s GLU 86 CO 0.00 -0.77 1.06 -1.00 0.02 0.00 0.00 175.26 174.57 1a67 h PRO 87 N -0.35 0.57 -0.25 0.39 0.13 -1.92 -2.87 132.00 127.70 1a67 h PRO 87 Ca -0.45 -0.86 -0.02 0.00 -0.87 0.00 0.00 66.00 63.81 1a67 h PRO 87 Cb 1.24 0.30 -0.01 0.00 0.13 0.00 0.00 31.00 32.66 1a67 h PRO 87 CO 0.62 1.40 0.09 0.93 -0.23 0.00 0.00 178.00 180.81 1a67 h GLU 88 N 0.20 0.35 -0.75 0.86 5.08 -1.98 -0.98 114.58 117.37 1a67 h GLU 88 Ca -0.22 -0.04 -0.38 0.00 -1.00 0.00 0.00 59.36 57.72 1a67 h GLU 88 Cb 2.04 -0.07 -0.23 0.00 0.50 0.00 0.00 28.75 31.00 1a67 h GLU 88 CO 0.26 0.31 0.37 -1.33 -1.00 0.00 0.00 179.01 177.61 1a67 n MET 89 N -4.42 2.18 -4.30 2.33 2.81 -1.23 -4.95 117.12 109.54 1a67 n MET 89 Ca 0.01 -3.08 -0.19 0.00 -1.81 0.00 0.00 57.70 52.63 1a67 n MET 89 Cb 0.14 -2.05 -0.11 0.00 -0.71 0.00 0.00 33.22 30.49 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 -3.26 1.79 0.00 3.04 0.00 -0.37 -4.78 121.76 118.17 1a67 s ALA 90 Ca 0.52 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1a67 s ALA 90 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1a67 s ALA 90 CO 0.07 0.10 0.00 0.36 0.00 0.00 0.00 175.76 176.29 1a67 n LYS 91 N 0.08 3.19 0.00 0.00 2.85 -1.26 -4.93 118.16 118.10 1a67 n LYS 91 Ca -0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 1a67 n LYS 91 Cb 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.97 1a67 n LYS 91 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1a67 n TYR 92 N 0.00 0.00 -3.70 5.58 4.02 -1.26 -4.82 117.16 116.99 1a67 n TYR 92 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1a67 n TYR 92 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.20 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 -1.97 -0.19 0.20 -0.72 2.01 0.32 -4.86 115.64 110.43 1a67 s THR 93 Ca 0.00 0.17 -0.22 0.00 0.31 0.00 0.00 61.69 61.95 1a67 s THR 93 Cb 0.00 -0.48 -0.08 0.00 0.01 0.00 0.00 72.50 71.95 1a67 s THR 93 CO 0.00 0.07 0.74 0.28 -0.69 0.00 0.00 174.62 175.02 1a67 s THR 94 N 1.71 4.49 -0.27 -0.82 -1.32 -1.26 0.98 115.64 119.14 1a67 s THR 94 Ca -0.06 1.45 -0.25 0.00 -1.21 0.00 0.00 61.69 61.62 1a67 s THR 94 Cb -0.10 -3.97 0.12 0.00 -1.51 0.00 0.00 72.50 67.03 1a67 s THR 94 CO -0.10 0.34 0.99 0.00 -2.21 0.00 0.00 174.62 173.64 1a67 s THR 96 N 0.19 2.13 0.75 0.00 2.01 -0.61 -0.62 115.64 119.50 1a67 s THR 96 Ca 0.03 -1.12 -0.11 0.00 0.31 0.00 0.00 61.69 60.79 1a67 s THR 96 Cb -0.05 -2.00 0.04 0.00 0.01 0.00 0.00 72.50 70.50 1a67 s THR 96 CO -0.05 0.38 1.10 -0.36 -0.69 0.00 0.00 174.62 174.99 1a67 s PHE 97 N 1.24 3.10 -0.14 4.92 0.08 0.55 0.11 117.98 127.84 1a67 s PHE 97 Ca 0.01 1.10 -0.07 0.00 0.12 0.00 0.00 56.93 58.08 1a67 s PHE 97 Cb -0.15 -3.10 0.05 0.00 -0.57 0.00 0.00 43.02 39.26 1a67 s PHE 97 CO -0.10 -1.45 0.34 0.08 -0.10 0.00 0.00 175.22 173.98 1a67 s VAL 98 N -3.27 -0.04 0.22 -0.44 1.01 -1.26 -1.40 120.40 115.23 1a67 s VAL 98 Ca 0.59 0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.80 1a67 s VAL 98 Cb -0.13 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1a67 s VAL 98 CO 0.53 0.05 -0.15 -0.69 0.00 0.00 0.00 175.10 174.84 1a67 s VAL 99 N 1.36 2.81 -0.03 2.92 1.01 -0.24 -2.35 120.40 125.88 1a67 s VAL 99 Ca -0.09 -2.00 0.06 0.00 0.00 0.00 0.00 61.98 59.95 1a67 s VAL 99 Cb -0.09 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1a67 s VAL 99 CO -0.11 -0.23 -0.22 -0.47 0.00 0.00 0.00 175.10 174.07 1a67 s TYR 100 N -2.00 2.07 -0.22 5.22 6.14 -0.43 -0.82 117.35 127.31 1a67 s TYR 100 Ca 0.26 -0.48 -0.13 0.00 0.64 0.00 0.00 57.07 57.37 1a67 s TYR 100 Cb -0.07 -1.35 0.07 0.00 0.42 0.00 0.00 41.96 41.03 1a67 s TYR 100 CO 0.14 -0.10 0.53 0.45 0.64 0.00 0.00 175.55 177.22 1a67 s SER 101 N -0.35 -0.70 -0.30 4.32 0.15 -0.51 -1.20 113.70 115.12 1a67 s SER 101 Ca 0.04 1.16 -0.01 0.00 0.70 0.00 0.00 55.95 57.84 1a67 s SER 101 Cb -0.10 1.05 0.19 0.00 -1.71 0.00 0.00 66.02 65.44 1a67 s SER 101 CO 0.01 -0.21 0.70 -0.63 1.20 0.00 0.00 173.24 174.31 1a67 s ILE 102 N 1.45 -0.83 -1.12 6.45 1.01 -0.43 -1.69 121.20 126.03 1a67 s ILE 102 Ca -0.09 0.00 0.27 0.00 0.00 0.00 0.00 60.65 60.83 1a67 s ILE 102 Cb -0.07 -0.91 0.16 0.00 0.01 0.00 0.00 42.46 41.65 1a67 s ILE 102 CO -0.15 0.00 1.67 -0.81 0.00 0.00 0.00 174.94 175.65 1a67 n PRO 103 N 5.39 0.13 0.01 2.79 -0.04 -1.26 -0.45 135.00 141.57 1a67 n PRO 103 Ca 0.02 -0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 1a67 n PRO 103 Cb 0.53 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 33.01 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 -1.39 0.09 -2.09 0.54 -0.00 -1.26 -3.99 117.44 109.34 1a67 n TRP 104 Ca 0.08 0.03 -0.01 0.00 -0.00 0.00 0.00 57.50 57.59 1a67 n TRP 104 Cb 0.33 -0.55 -0.01 0.00 -0.00 0.00 0.00 31.31 31.08 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 -1.58 -0.06 -2.17 5.67 4.77 -1.26 -5.04 117.00 117.34 1a67 n LEU 105 Ca 0.06 -1.43 -0.01 0.00 -0.03 0.00 0.00 56.01 54.60 1a67 n LEU 105 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1a67 n LEU 105 CO 0.23 0.84 0.12 0.59 -1.33 0.00 0.00 177.39 177.85 1a67 n ASN 106 N 0.09 -4.61 -3.60 -1.43 3.02 -1.25 -5.08 115.26 102.41 1a67 n ASN 106 Ca -0.06 0.03 -0.14 0.00 -0.03 0.00 0.00 54.58 54.39 1a67 n ASN 106 Cb 0.72 -2.94 -0.06 0.00 -0.61 0.00 0.00 39.78 36.90 1a67 n ASN 106 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1a67 s GLN 107 N -2.69 1.00 0.00 3.52 0.74 0.40 -5.03 119.66 117.60 1a67 s GLN 107 Ca 0.03 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.18 1a67 s GLN 107 Cb -0.01 0.45 0.00 0.00 1.10 0.00 0.00 33.01 34.56 1a67 s GLN 107 CO 0.34 -0.36 0.00 1.51 -0.55 0.00 0.00 175.29 176.23 1a67 n ILE 108 N 0.45 0.00 -4.22 -2.34 0.00 -1.26 -1.32 119.36 110.67 1a67 n ILE 108 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 62.75 62.43 1a67 n ILE 108 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 39.64 40.14 1a67 n ILE 108 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1a67 s LYS 109 N 0.00 1.34 -0.41 9.51 2.20 -0.34 -4.94 119.74 127.10 1a67 s LYS 109 Ca 0.00 -1.73 0.06 0.00 -0.36 0.00 0.00 55.97 53.95 1a67 s LYS 109 Cb 0.00 0.28 0.22 0.00 -1.51 0.00 0.00 37.83 36.82 1a67 s LYS 109 CO 0.00 -0.46 0.51 -0.11 -0.36 0.00 0.00 175.35 174.93 1a67 n LEU 110 N -0.36 -0.55 0.00 5.43 -0.00 -1.26 -1.31 117.00 118.95 1a67 n LEU 110 Ca 0.03 -4.35 0.00 0.00 -0.00 0.00 0.00 56.01 51.69 1a67 n LEU 110 Cb 0.65 0.63 0.00 0.00 -0.00 0.00 0.00 43.42 44.71 1a67 n LEU 110 CO 0.33 1.98 0.43 0.00 -0.00 0.00 0.00 177.39 180.13 1a67 n LEU 111 N 2.01 0.00 0.00 -1.96 -0.00 -1.23 -4.98 117.00 110.83 1a67 n LEU 111 Ca 0.23 0.86 0.00 0.00 -0.00 0.00 0.00 56.01 57.10 1a67 n LEU 111 Cb 0.52 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 1a67 n LEU 111 CO 0.12 -0.36 0.00 1.21 -0.00 0.00 0.00 177.39 178.36 1a67 n GLU 112 N -1.88 0.00 -0.97 1.47 2.13 -0.99 -4.95 120.64 115.45 1a67 n GLU 112 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1a67 n GLU 112 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1a67 n GLU 112 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1a67 n SER 113 N -0.80 -1.30 -3.65 4.31 3.41 -1.26 -4.55 113.62 109.78 1a67 n SER 113 Ca 0.00 0.39 -0.27 0.00 -0.26 0.00 0.00 58.87 58.72 1a67 n SER 113 Cb 0.00 -0.59 -0.11 0.00 -0.26 0.00 0.00 64.21 63.25 1a67 n SER 113 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1a67 n LYS 114 N 1.66 1.48 -3.88 4.33 0.00 0.30 -4.86 118.16 117.20 1a67 n LYS 114 Ca 0.00 -4.12 -0.21 0.00 0.00 0.00 0.00 58.31 53.98 1a67 n LYS 114 Cb 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 35.03 32.95 1a67 n LYS 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40