#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c12 n GLN 51 N 0.00 0.33 0.00 0.11 0.00 -1.26 -0.74 117.38 115.83 3c12 n GLN 51 Ca 0.00 0.09 0.02 0.00 -0.00 0.00 0.00 57.00 57.11 3c12 n GLN 51 Cb 0.00 -1.50 0.12 0.00 0.00 0.00 0.00 30.24 28.86 3c12 n GLN 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3c12 n VAL 52 N -1.23 0.19 -0.07 1.69 0.31 -1.26 0.37 118.33 118.34 3c12 n VAL 52 Ca 0.10 0.05 -0.11 0.00 -0.01 0.00 0.00 64.34 64.37 3c12 n VAL 52 Cb 0.13 -0.98 -0.05 0.00 -0.91 0.00 0.00 33.84 32.03 3c12 n VAL 52 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3c12 n LEU 53 N -1.05 2.21 0.00 7.52 -0.00 0.08 -4.49 117.00 121.27 3c12 n LEU 53 Ca 0.03 0.02 0.02 0.00 -0.00 0.00 0.00 56.01 56.08 3c12 n LEU 53 Cb 0.02 -0.43 0.13 0.00 -0.00 0.00 0.00 43.42 43.14 3c12 n LEU 53 CO 0.02 0.55 0.34 0.29 -0.00 0.00 0.00 177.39 178.60 3c12 n LYS 54 N -3.15 0.43 -0.38 1.96 4.76 0.16 -2.80 118.16 119.14 3c12 n LYS 54 Ca -0.24 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.19 3c12 n LYS 54 Cb 0.72 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.76 3c12 n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3c12 n GLY 55 N -0.09 2.41 0.18 0.72 0.00 0.19 -2.33 105.19 106.29 3c12 n GLY 55 Ca 0.03 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3c12 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c12 n ALA 56 N 1.19 4.08 1.04 4.61 0.00 -1.12 -3.88 120.51 126.42 3c12 n ALA 56 Ca 0.01 -0.57 0.12 0.00 0.00 0.00 0.00 53.44 52.99 3c12 n ALA 56 Cb 0.51 -0.71 0.57 0.00 0.00 0.00 0.00 19.45 19.82 3c12 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3c12 n ALA 57 N -0.89 2.18 0.15 0.00 0.00 -0.98 -2.37 120.51 118.59 3c12 n ALA 57 Ca 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.42 3c12 n ALA 57 Cb 0.35 -1.39 0.13 0.00 0.00 0.00 0.00 19.45 18.55 3c12 n ALA 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3c12 h LEU 58 N 0.00 0.00 -9.54 0.00 3.38 -1.84 -3.44 115.31 103.87 3c12 h LEU 58 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3c12 h LEU 58 Cb 0.27 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.08 3c12 h LEU 58 CO 0.00 0.52 0.82 0.52 0.09 0.00 0.00 178.44 180.39 3c12 n VAL 59 N -3.38 0.09 0.00 1.22 0.31 -1.00 -1.12 118.33 114.45 3c12 n VAL 59 Ca 0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3c12 n VAL 59 Cb 0.67 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 3c12 n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3c12 n GLY 60 N 3.38 2.24 2.87 2.92 0.00 -0.62 -5.04 105.19 110.94 3c12 n GLY 60 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 3c12 n GLY 60 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3c12 n HIS 61 N -2.00 -1.58 -4.37 1.61 -0.00 -0.28 -4.87 115.22 103.74 3c12 n HIS 61 Ca 0.00 -1.66 -0.31 0.00 -0.00 0.00 0.00 57.72 55.75 3c12 n HIS 61 Cb 0.00 -0.37 -0.10 0.00 -0.00 0.00 0.00 29.99 29.52 3c12 n HIS 61 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 3c12 s ASN 62 N -3.53 4.47 0.16 0.41 -0.87 -1.26 -0.28 114.94 114.04 3c12 s ASN 62 Ca 0.33 -0.28 0.04 0.00 -1.57 0.00 0.00 52.86 51.39 3c12 s ASN 62 Cb -0.03 -0.94 -0.05 0.00 -0.02 0.00 0.00 41.25 40.22 3c12 s ASN 62 CO 0.21 0.23 -0.07 0.68 -2.57 0.00 0.00 177.10 175.59 3c12 s VAL 63 N -1.10 1.05 -0.23 1.60 -7.23 -0.25 -2.81 120.40 111.44 3c12 s VAL 63 Ca 0.19 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.30 3c12 s VAL 63 Cb -0.11 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.87 3c12 s VAL 63 CO 0.11 -0.63 -0.07 -0.76 -0.31 0.00 0.00 175.10 173.43 3c12 s LEU 64 N -3.19 2.93 0.07 1.32 1.02 -0.47 -1.36 118.68 119.00 3c12 s LEU 64 Ca 0.20 -0.65 0.06 0.00 0.02 0.00 0.00 54.13 53.75 3c12 s LEU 64 Cb 0.04 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.55 3c12 s LEU 64 CO 0.02 -0.07 -0.16 0.68 0.02 0.00 0.00 176.35 176.84 3c12 s VAL 65 N 1.38 1.27 -0.03 -1.59 -7.23 -0.61 0.59 120.40 114.19 3c12 s VAL 65 Ca 0.03 -1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 58.58 3c12 s VAL 65 Cb -0.15 -1.19 -0.06 0.00 0.56 0.00 0.00 36.38 35.53 3c12 s VAL 65 CO -0.05 -0.14 1.70 -2.84 -0.31 0.00 0.00 175.10 173.46 3c12 s PRO 66 N -1.68 4.18 -0.05 4.82 0.02 -1.26 -0.17 135.00 140.85 3c12 s PRO 66 Ca 0.01 2.26 -0.04 0.00 0.02 0.00 0.00 61.00 63.25 3c12 s PRO 66 Cb -0.10 -3.99 0.02 0.00 0.02 0.00 0.00 34.50 30.45 3c12 s PRO 66 CO 0.03 -0.86 0.12 0.45 -0.33 0.00 0.00 177.00 176.41 3c12 s SER 67 N 3.46 -0.12 0.00 2.53 0.15 -0.74 -4.88 113.70 114.10 3c12 s SER 67 Ca 0.76 0.25 0.27 0.00 0.70 0.00 0.00 55.95 57.93 3c12 s SER 67 Cb -0.35 0.23 0.91 0.00 -1.71 0.00 0.00 66.02 65.09 3c12 s SER 67 CO 0.31 -0.06 1.67 0.00 1.20 0.00 0.00 173.24 176.36 3c12 n ALA 68 N 3.26 3.01 -2.16 5.45 0.00 -1.26 -4.54 120.51 124.26 3c12 n ALA 68 Ca -0.15 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 52.88 3c12 n ALA 68 Cb 0.58 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 3c12 n ALA 68 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3c12 s GLN 69 N -2.69 0.87 0.27 0.00 -2.07 -1.26 -0.36 119.66 114.41 3c12 s GLN 69 Ca 0.21 -1.38 0.07 0.00 -1.82 0.00 0.00 55.36 52.44 3c12 s GLN 69 Cb 0.19 0.01 -0.06 0.00 -1.09 0.00 0.00 33.01 32.06 3c12 s GLN 69 CO 0.56 -0.13 -0.08 0.14 -1.32 0.00 0.00 175.29 174.45 3c12 s VAL 70 N -3.82 1.68 0.06 3.63 -7.23 0.22 -4.86 120.40 110.08 3c12 s VAL 70 Ca 0.17 -2.15 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 3c12 s VAL 70 Cb 0.07 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 3c12 s VAL 70 CO -0.02 -0.36 -0.11 0.00 -0.31 0.00 0.00 175.10 174.30 3c12 s ALA 71 N -2.99 0.91 0.03 1.32 0.00 -1.26 0.43 121.76 120.20 3c12 s ALA 71 Ca 0.28 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3c12 s ALA 71 Cb 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 3c12 s ALA 71 CO 0.11 0.07 -0.08 0.96 0.00 0.00 0.00 175.76 176.83 3c12 s ILE 72 N -1.38 0.56 0.00 0.00 -4.36 -0.35 -4.58 121.20 111.08 3c12 s ILE 72 Ca -0.05 -0.82 0.00 0.00 -0.26 0.00 0.00 60.65 59.52 3c12 s ILE 72 Cb -0.10 -0.57 0.00 0.00 1.25 0.00 0.00 42.46 43.04 3c12 s ILE 72 CO 0.01 -0.20 0.00 -0.90 0.24 0.00 0.00 174.94 174.09 3c12 n ASP 73 N 1.94 0.00 -0.02 4.36 3.85 -1.26 -0.00 116.55 125.42 3c12 n ASP 73 Ca -0.19 0.00 0.09 0.00 -0.71 0.00 0.00 54.79 53.97 3c12 n ASP 73 Cb 0.56 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.16 3c12 n ASP 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3c12 n ALA 74 N -3.00 2.68 0.09 2.12 0.00 -1.26 -3.83 120.51 117.31 3c12 n ALA 74 Ca 0.00 -0.60 -0.15 0.00 0.00 0.00 0.00 53.44 52.68 3c12 n ALA 74 Cb 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 3c12 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3c12 h THR 75 N 0.00 1.43 0.00 0.00 1.03 -1.98 -3.49 112.91 109.89 3c12 h THR 75 Ca -0.06 -2.72 0.00 0.00 -0.01 0.00 0.00 66.41 63.62 3c12 h THR 75 Cb 1.13 2.69 0.00 0.00 -1.07 0.00 0.00 68.15 70.90 3c12 h THR 75 CO 0.00 0.80 0.00 0.61 -0.01 0.00 0.00 175.52 176.93 3c12 n GLY 76 N 1.26 1.91 0.01 2.99 0.00 -1.26 -5.07 105.19 105.02 3c12 n GLY 76 Ca -0.08 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.01 3c12 n GLY 76 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3c12 n SER 77 N -0.03 -0.08 -3.82 1.61 7.64 -1.26 -4.89 113.62 112.79 3c12 n SER 77 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 3c12 n SER 77 Cb 0.00 -0.01 -0.17 0.00 -1.01 0.00 0.00 64.21 63.02 3c12 n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3c12 s ALA 78 N -0.01 0.52 0.27 -0.43 0.00 -0.76 -4.84 121.76 116.51 3c12 s ALA 78 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.04 3c12 s ALA 78 Cb 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 23.12 22.59 3c12 s ALA 78 CO 0.00 -0.17 -0.04 -1.59 0.00 0.00 0.00 175.76 173.96 3c12 s LYS 79 N 1.29 1.48 0.00 0.00 -2.85 -1.26 -0.98 119.74 117.42 3c12 s LYS 79 Ca -0.06 -1.75 0.00 0.00 -1.00 0.00 0.00 55.97 53.16 3c12 s LYS 79 Cb -0.13 -0.97 0.00 0.00 -2.06 0.00 0.00 37.83 34.67 3c12 s LYS 79 CO -0.02 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.82 3c12 n GLY 80 N -0.53 0.63 3.30 0.59 0.00 -0.94 -1.66 105.19 106.57 3c12 n GLY 80 Ca -0.05 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 3c12 n GLY 80 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3c12 s VAL 81 N -2.10 0.09 0.01 1.61 -7.23 0.12 -1.23 120.40 111.68 3c12 s VAL 81 Ca 0.00 -1.29 -0.06 0.00 -1.81 0.00 0.00 61.98 58.82 3c12 s VAL 81 Cb 0.00 -1.67 -0.00 0.00 0.56 0.00 0.00 36.38 35.27 3c12 s VAL 81 CO 0.00 -0.40 0.10 -0.69 -0.31 0.00 0.00 175.10 173.80 3c12 s VAL 82 N -3.93 0.09 -0.52 1.32 1.01 0.65 -1.40 120.40 117.62 3c12 s VAL 82 Ca 0.13 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 3c12 s VAL 82 Cb 0.04 -0.45 0.10 0.00 0.00 0.00 0.00 36.38 36.07 3c12 s VAL 82 CO -0.04 -0.43 0.51 0.00 0.00 0.00 0.00 175.10 175.14 3c12 s ALA 83 N -1.53 3.56 0.17 5.51 0.00 -1.26 -0.02 121.76 128.18 3c12 s ALA 83 Ca -0.14 -2.26 -0.30 0.00 0.00 0.00 0.00 51.96 49.26 3c12 s ALA 83 Cb -0.07 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 3c12 s ALA 83 CO 0.00 -1.97 1.21 0.00 0.00 0.00 0.00 175.76 175.01 3c12 s ALA 84 N 1.89 3.44 -2.84 0.00 0.00 0.15 -4.89 121.76 119.51 3c12 s ALA 84 Ca 0.06 0.95 0.25 0.00 0.00 0.00 0.00 51.96 53.22 3c12 s ALA 84 Cb -0.26 -3.43 0.46 0.00 0.00 0.00 0.00 23.12 19.89 3c12 s ALA 84 CO 0.06 -0.40 1.41 0.25 0.00 0.00 0.00 175.76 177.08 3c12 n THR 85 N 2.76 0.00 -3.88 0.00 -2.24 -1.26 0.24 114.28 109.91 3c12 n THR 85 Ca 0.05 -0.42 -0.07 0.00 -2.27 0.00 0.00 64.05 61.33 3c12 n THR 85 Cb 0.45 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.84 3c12 n THR 85 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3c12 s SER 86 N -1.99 -0.23 0.44 3.42 0.15 -1.26 -4.64 113.70 109.59 3c12 s SER 86 Ca 0.31 -0.67 -0.19 0.00 0.70 0.00 0.00 55.95 56.11 3c12 s SER 86 Cb 0.20 0.72 -0.10 0.00 -1.71 0.00 0.00 66.02 65.13 3c12 s SER 86 CO 0.31 -1.34 0.93 0.00 1.20 0.00 0.00 173.24 174.34 3c12 s ALA 87 N -3.88 3.10 0.00 5.45 0.00 -1.26 -3.72 121.76 121.45 3c12 s ALA 87 Ca 0.13 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3c12 s ALA 87 Cb -0.05 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3c12 s ALA 87 CO 0.07 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.29 3c12 n GLY 88 N -0.90 0.21 3.10 0.00 0.00 -0.46 -2.42 105.19 104.72 3c12 n GLY 88 Ca 0.06 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 3c12 n GLY 88 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3c12 s PHE 89 N -1.59 0.32 -0.06 1.61 -0.71 -0.49 0.16 117.98 117.22 3c12 s PHE 89 Ca 0.00 -0.72 0.04 0.00 -1.04 0.00 0.00 56.93 55.20 3c12 s PHE 89 Cb 0.00 -0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.59 3c12 s PHE 89 CO 0.00 -0.38 -0.17 0.54 -1.34 0.00 0.00 175.22 173.87 3c12 s VAL 90 N -3.14 1.45 -0.24 -2.49 0.11 0.46 -1.10 120.40 115.46 3c12 s VAL 90 Ca -0.00 -0.70 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 3c12 s VAL 90 Cb 0.02 -1.27 -0.02 0.00 -1.53 0.00 0.00 36.38 33.58 3c12 s VAL 90 CO -0.07 0.42 0.03 0.20 -3.33 0.00 0.00 175.10 172.35 3c12 s ASN 91 N 0.25 4.87 -0.28 3.54 0.02 0.69 -0.83 114.94 123.20 3c12 s ASN 91 Ca -0.09 -0.26 -0.11 0.00 -1.02 0.00 0.00 52.86 51.38 3c12 s ASN 91 Cb -0.14 -1.86 -0.05 0.00 0.02 0.00 0.00 41.25 39.22 3c12 s ASN 91 CO 0.04 -0.02 0.18 -0.36 0.02 0.00 0.00 177.10 176.95 3c12 s PHE 92 N 1.53 3.21 -0.18 2.20 0.40 0.95 -1.20 117.98 124.88 3c12 s PHE 92 Ca 0.06 0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.43 3c12 s PHE 92 Cb -0.15 -2.37 -0.02 0.00 0.51 0.00 0.00 43.02 40.99 3c12 s PHE 92 CO 0.01 -0.17 -0.03 -2.00 0.70 0.00 0.00 175.22 173.74 3c12 s GLU 93 N 1.74 3.59 -0.26 0.44 2.12 0.43 0.06 118.70 126.82 3c12 s GLU 93 Ca 0.07 -0.55 -0.10 0.00 0.36 0.00 0.00 54.97 54.75 3c12 s GLU 93 Cb -0.16 -2.99 -0.05 0.00 0.26 0.00 0.00 34.13 31.19 3c12 s GLU 93 CO 0.10 0.07 0.16 0.42 -0.54 0.00 0.00 175.26 175.47 3c12 s ILE 94 N 0.83 5.20 0.33 -3.70 1.09 0.29 -1.60 121.20 123.65 3c12 s ILE 94 Ca -0.00 0.13 0.09 0.00 -1.10 0.00 0.00 60.65 59.77 3c12 s ILE 94 Cb -0.14 -3.45 -0.06 0.00 -1.06 0.00 0.00 42.46 37.75 3c12 s ILE 94 CO 0.02 0.30 -0.03 0.42 -0.10 0.00 0.00 174.94 175.55 3c12 s THR 95 N 1.44 2.57 0.15 2.92 -4.23 -0.11 -0.84 115.64 117.54 3c12 s THR 95 Ca 0.07 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.54 3c12 s THR 95 Cb -0.15 -2.72 0.03 0.00 1.34 0.00 0.00 72.50 71.00 3c12 s THR 95 CO 0.08 -0.23 0.21 -0.90 -0.54 0.00 0.00 174.62 173.24 3c12 n ASP 96 N -0.88 0.55 -0.27 3.99 5.68 -0.35 -1.62 116.55 123.65 3c12 n ASP 96 Ca -0.05 -1.40 -0.06 0.00 -0.50 0.00 0.00 54.79 52.79 3c12 n ASP 96 Cb 0.62 -0.11 -0.01 0.00 -1.14 0.00 0.00 41.12 40.48 3c12 n ASP 96 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3c12 h ALA 97 N 0.39 -0.13 0.00 2.12 0.00 -1.91 0.86 119.26 120.59 3c12 h ALA 97 Ca -0.07 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3c12 h ALA 97 Cb 0.33 0.96 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3c12 h ALA 97 CO 0.10 -0.74 -0.12 -0.91 0.00 0.00 0.00 179.25 177.58 3c12 h ASN 98 N -0.13 0.00 0.00 0.00 2.35 -2.01 -3.46 115.58 112.33 3c12 h ASN 98 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3c12 h ASN 98 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3c12 h ASN 98 CO -0.79 0.12 0.00 0.61 -1.65 0.00 0.00 177.43 175.72 3c12 n GLY 99 N 0.48 1.29 3.77 2.83 0.00 0.30 -5.10 105.19 108.75 3c12 n GLY 99 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3c12 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3c12 s THR 100 N -2.00 2.81 0.34 2.61 2.01 -1.26 -4.57 115.64 115.58 3c12 s THR 100 Ca 0.00 0.71 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 3c12 s THR 100 Cb 0.00 -3.41 -0.11 0.00 0.01 0.00 0.00 72.50 68.99 3c12 s THR 100 CO 0.00 0.09 1.46 0.12 -0.69 0.00 0.00 174.62 175.59 3c12 s PHE 101 N -1.32 2.77 0.06 4.92 5.36 -1.26 -1.21 117.98 127.30 3c12 s PHE 101 Ca 0.57 1.14 -0.01 0.00 -0.96 0.00 0.00 56.93 57.68 3c12 s PHE 101 Cb -0.35 -3.93 -0.00 0.00 -0.34 0.00 0.00 43.02 38.40 3c12 s PHE 101 CO 0.45 -2.80 -0.01 0.28 -1.46 0.00 0.00 175.22 171.67 3c12 n VAL 102 N 1.04 0.85 -3.80 3.12 0.31 -0.02 -4.85 118.33 114.98 3c12 n VAL 102 Ca 0.03 0.28 -0.09 0.00 -0.01 0.00 0.00 64.34 64.54 3c12 n VAL 102 Cb 0.40 -1.44 -0.04 0.00 -0.91 0.00 0.00 33.84 31.84 3c12 n VAL 102 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3c12 s LYS 103 N -1.71 1.38 -0.02 5.55 2.20 -1.12 -0.88 119.74 125.15 3c12 s LYS 103 Ca -0.01 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 54.65 3c12 s LYS 103 Cb 0.00 0.50 0.02 0.00 -1.51 0.00 0.00 37.83 36.84 3c12 s LYS 103 CO 0.02 -0.58 0.00 -1.14 -0.36 0.00 0.00 175.35 173.29 3c12 s GLN 104 N -3.90 0.12 0.16 4.03 0.74 -1.26 -0.55 119.66 119.00 3c12 s GLN 104 Ca 0.12 0.06 0.10 0.00 0.05 0.00 0.00 55.36 55.69 3c12 s GLN 104 Cb -0.01 -0.26 -0.04 0.00 1.10 0.00 0.00 33.01 33.80 3c12 s GLN 104 CO -0.01 -0.08 -0.20 -0.51 -0.55 0.00 0.00 175.29 173.95 3c12 s LEU 105 N 0.62 2.61 -0.02 3.68 1.43 0.11 -4.96 118.68 122.16 3c12 s LEU 105 Ca -0.06 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 3c12 s LEU 105 Cb -0.08 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.75 3c12 s LEU 105 CO -0.01 0.14 -0.05 -0.44 0.23 0.00 0.00 176.35 176.22 3c12 s SER 106 N -2.48 0.72 -0.02 2.29 0.01 -1.26 -0.04 113.70 112.92 3c12 s SER 106 Ca 0.20 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.36 3c12 s SER 106 Cb -0.09 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 65.98 3c12 s SER 106 CO 0.11 0.03 -0.01 -0.69 0.41 0.00 0.00 173.24 173.09 3c12 s VAL 107 N 0.20 0.17 0.71 3.43 1.01 -0.01 -4.96 120.40 120.95 3c12 s VAL 107 Ca -0.02 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 3c12 s VAL 107 Cb -0.06 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.10 3c12 s VAL 107 CO -0.00 0.12 1.08 -2.16 0.00 0.00 0.00 175.10 174.13 3c12 s PRO 108 N 0.74 2.72 -0.33 2.72 0.04 -1.26 -0.40 135.00 139.23 3c12 s PRO 108 Ca -0.07 1.11 -0.01 0.00 0.04 0.00 0.00 61.00 62.07 3c12 s PRO 108 Cb -0.10 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.59 3c12 s PRO 108 CO -0.01 -1.28 0.15 0.00 0.04 0.00 0.00 177.00 175.90 3c12 s ALA 109 N -2.85 1.34 0.32 8.56 0.00 0.43 -4.83 121.76 124.73 3c12 s ALA 109 Ca 0.61 -1.73 0.16 0.00 0.00 0.00 0.00 51.96 50.99 3c12 s ALA 109 Cb -0.16 -1.62 1.10 0.00 0.00 0.00 0.00 23.12 22.45 3c12 s ALA 109 CO 0.52 -1.80 1.38 -1.13 0.00 0.00 0.00 175.76 174.72 3c12 n SER 110 N 4.58 0.25 -3.78 0.00 3.41 -1.26 -1.36 113.62 115.46 3c12 n SER 110 Ca 0.01 1.45 0.02 0.00 -0.26 0.00 0.00 58.87 60.10 3c12 n SER 110 Cb 0.40 -0.68 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 3c12 n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3c12 s ALA 111 N -5.40 -2.39 0.36 7.33 0.00 -1.26 -4.73 121.76 115.67 3c12 s ALA 111 Ca -0.08 0.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.63 3c12 s ALA 111 Cb 0.29 0.88 -0.13 0.00 0.00 0.00 0.00 23.12 24.16 3c12 s ALA 111 CO 0.68 -1.14 0.90 0.00 0.00 0.00 0.00 175.76 176.20 3c12 n ALA 112 N -0.88 -0.43 0.00 0.00 0.00 -1.24 -4.53 120.51 113.42 3c12 n ALA 112 Ca 0.03 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3c12 n ALA 112 Cb 0.59 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3c12 n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3c12 n GLY 113 N 1.35 0.39 3.79 0.00 0.00 0.14 -4.93 105.19 105.93 3c12 n GLY 113 Ca 0.10 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 3c12 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3c12 s GLU 114 N -1.79 3.72 -0.06 1.61 2.12 -1.26 0.31 118.70 123.34 3c12 s GLU 114 Ca 0.00 1.44 -0.03 0.00 0.36 0.00 0.00 54.97 56.75 3c12 s GLU 114 Cb 0.00 -2.11 0.04 0.00 0.26 0.00 0.00 34.13 32.32 3c12 s GLU 114 CO 0.00 -0.51 0.14 0.08 -0.54 0.00 0.00 175.26 174.42 3c12 s VAL 115 N -1.90 -0.09 0.40 3.70 1.01 0.97 -4.81 120.40 119.69 3c12 s VAL 115 Ca 0.68 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 3c12 s VAL 115 Cb -0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 3c12 s VAL 115 CO 0.22 0.09 0.64 -0.44 0.00 0.00 0.00 175.10 175.61 3c12 s SER 116 N 1.39 6.18 0.05 3.32 0.01 -1.26 -0.25 113.70 123.14 3c12 s SER 116 Ca -0.07 0.54 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 3c12 s SER 116 Cb -0.12 -1.98 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 3c12 s SER 116 CO -0.06 -0.46 0.06 0.72 0.41 0.00 0.00 173.24 173.91 3c12 s PHE 117 N -2.48 0.31 -0.21 2.43 -0.12 -0.36 -4.93 117.98 112.61 3c12 s PHE 117 Ca 0.44 -0.71 -0.09 0.00 -0.05 0.00 0.00 56.93 56.51 3c12 s PHE 117 Cb -0.10 -0.22 0.08 0.00 -0.63 0.00 0.00 43.02 42.16 3c12 s PHE 117 CO 0.39 -0.38 0.48 0.00 -0.05 0.00 0.00 175.22 175.66 3c12 s ALA 118 N -3.15 -1.33 -0.16 1.99 0.00 -1.26 -2.22 121.76 115.62 3c12 s ALA 118 Ca -0.00 1.74 -0.04 0.00 0.00 0.00 0.00 51.96 53.66 3c12 s ALA 118 Cb 0.02 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 3c12 s ALA 118 CO -0.07 -0.58 -0.02 -0.46 0.00 0.00 0.00 175.76 174.63 3c12 s TRP 119 N 2.14 3.06 -2.00 0.00 -0.00 -0.15 -4.99 118.94 117.00 3c12 s TRP 119 Ca -0.06 -0.24 0.31 0.00 -0.00 0.00 0.00 56.10 56.11 3c12 s TRP 119 Cb -0.10 -1.98 1.86 0.00 -0.00 0.00 0.00 33.47 33.25 3c12 s TRP 119 CO -0.15 -0.01 2.19 -0.40 -0.00 0.00 0.00 176.95 178.59 3c12 n ASP 120 N 3.55 0.00 0.00 5.86 5.68 -1.26 -1.82 116.55 128.55 3c12 n ASP 120 Ca -0.17 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 3c12 n ASP 120 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3c12 n ASP 120 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3c12 n GLY 121 N 0.97 0.49 3.42 6.12 0.00 -1.26 -4.10 105.19 110.83 3c12 n GLY 121 Ca 0.23 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 3c12 n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3c12 s THR 122 N -2.00 2.31 0.77 2.61 -4.23 -1.26 -0.97 115.64 112.87 3c12 s THR 122 Ca 0.00 -2.10 -0.09 0.00 -1.18 0.00 0.00 61.69 58.32 3c12 s THR 122 Cb 0.00 -2.13 0.10 0.00 1.34 0.00 0.00 72.50 71.81 3c12 s THR 122 CO 0.00 -0.21 1.10 1.51 -0.54 0.00 0.00 174.62 176.48 3c12 s ASP 123 N -2.85 4.40 0.63 3.99 3.84 0.15 -4.70 116.67 122.13 3c12 s ASP 123 Ca 0.22 0.38 0.31 0.00 -0.00 0.00 0.00 52.55 53.46 3c12 s ASP 123 Cb -0.07 -0.86 1.72 0.00 -1.38 0.00 0.00 42.92 42.33 3c12 s ASP 123 CO 0.10 -1.89 2.03 0.00 -0.00 0.00 0.00 175.17 175.42 3c12 h ALA 124 N -0.86 1.58 -0.36 2.11 0.00 -1.35 0.16 119.26 120.54 3c12 h ALA 124 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3c12 h ALA 124 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3c12 h ALA 124 CO 0.55 -0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.54 3c12 n ASN 125 N -3.34 3.45 0.00 0.00 3.02 -1.26 -4.91 115.26 112.22 3c12 n ASN 125 Ca 0.01 -2.42 0.00 0.00 -0.03 0.00 0.00 54.58 52.14 3c12 n ASN 125 Cb 0.37 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 3c12 n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3c12 n GLY 126 N 0.57 1.17 3.72 7.41 0.00 0.57 -5.00 105.19 113.63 3c12 n GLY 126 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3c12 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3c12 s ASN 127 N -2.99 7.32 -0.12 1.61 0.02 -1.25 -4.70 114.94 114.83 3c12 s ASN 127 Ca 0.00 1.82 -0.29 0.00 -1.02 0.00 0.00 52.86 53.37 3c12 s ASN 127 Cb 0.00 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.65 3c12 s ASN 127 CO 0.00 -0.26 1.57 -0.60 0.02 0.00 0.00 177.10 177.83 3c12 s ARG 128 N 0.65 4.09 0.61 -0.60 6.06 -1.26 0.33 118.95 128.82 3c12 s ARG 128 Ca 0.52 1.95 -0.10 0.00 -2.50 0.00 0.00 55.73 55.61 3c12 s ARG 128 Cb -0.24 -3.96 -0.03 0.00 0.06 0.00 0.00 34.95 30.78 3c12 s ARG 128 CO 0.29 -0.94 1.00 -1.64 -2.50 0.00 0.00 175.30 171.51 3c12 s MET 129 N 4.11 3.49 0.62 5.12 -1.94 -0.14 -4.93 119.30 125.61 3c12 s MET 129 Ca 0.69 0.61 -0.18 0.00 -1.71 0.00 0.00 55.69 55.10 3c12 s MET 129 Cb -0.29 -2.13 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 3c12 s MET 129 CO 0.27 -0.57 1.20 0.00 -0.01 0.00 0.00 175.02 175.91 3c12 s ALA 130 N -3.13 2.48 0.60 3.03 0.00 -1.26 -4.95 121.76 118.53 3c12 s ALA 130 Ca 0.54 0.96 -0.19 0.00 0.00 0.00 0.00 51.96 53.27 3c12 s ALA 130 Cb -0.11 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3c12 s ALA 130 CO 0.52 -1.27 1.27 0.00 0.00 0.00 0.00 175.76 176.28 3c12 s ALA 131 N -1.69 2.53 0.00 0.00 0.00 -1.25 -4.89 121.76 116.46 3c12 s ALA 131 Ca 0.76 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.87 3c12 s ALA 131 Cb -0.30 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.31 3c12 s ALA 131 CO 0.35 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 175.16 3c12 n GLY 132 N 0.71 0.37 3.79 0.00 0.00 0.99 -4.97 105.19 106.08 3c12 n GLY 132 Ca 0.14 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 3c12 n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c12 s LYS 133 N -1.74 4.03 0.06 1.61 1.02 -1.26 -1.21 119.74 122.25 3c12 s LYS 133 Ca 0.00 0.23 0.06 0.00 0.02 0.00 0.00 55.97 56.28 3c12 s LYS 133 Cb 0.00 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 3c12 s LYS 133 CO 0.00 0.47 -0.17 0.71 -0.92 0.00 0.00 175.35 175.44 3c12 s TYR 134 N -0.28 1.47 0.24 3.18 1.51 0.17 -4.73 117.35 118.91 3c12 s TYR 134 Ca 0.20 -0.40 -0.27 0.00 -1.01 0.00 0.00 57.07 55.59 3c12 s TYR 134 Cb -0.14 -0.84 -0.09 0.00 -0.11 0.00 0.00 41.96 40.77 3c12 s TYR 134 CO 0.08 0.09 0.89 0.20 -1.11 0.00 0.00 175.55 175.71 3c12 s GLY 135 N -1.48 2.96 -0.05 0.71 0.00 -0.64 0.69 107.32 109.52 3c12 s GLY 135 Ca 0.03 0.51 0.02 0.00 0.00 0.00 0.00 44.72 45.28 3c12 s GLY 135 CO 0.02 1.02 -0.10 -1.50 0.00 0.00 0.00 173.10 172.54 3c12 s ILE 136 N -1.31 0.95 -0.03 0.90 2.07 0.51 -0.93 121.20 123.36 3c12 s ILE 136 Ca 0.42 -0.39 0.06 0.00 -1.41 0.00 0.00 60.65 59.33 3c12 s ILE 136 Cb -0.23 -0.87 -0.01 0.00 0.13 0.00 0.00 42.46 41.48 3c12 s ILE 136 CO 0.28 0.31 -0.20 -0.89 -1.91 0.00 0.00 174.94 172.52 3c12 s THR 137 N 0.57 1.63 -0.11 4.00 2.01 -0.63 -4.65 115.64 118.46 3c12 s THR 137 Ca -0.11 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.07 3c12 s THR 137 Cb -0.14 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 71.00 3c12 s THR 137 CO 0.02 0.46 -0.23 0.00 -0.69 0.00 0.00 174.62 174.18 3c12 s ALA 138 N -0.26 2.17 -0.09 7.40 0.00 -1.26 -0.43 121.76 129.29 3c12 s ALA 138 Ca 0.02 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3c12 s ALA 138 Cb -0.10 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.17 3c12 s ALA 138 CO 0.01 0.18 -0.15 0.99 0.00 0.00 0.00 175.76 176.79 3c12 s THR 139 N 0.50 1.45 0.09 0.00 2.01 -0.35 -1.43 115.64 117.92 3c12 s THR 139 Ca -0.15 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.15 3c12 s THR 139 Cb -0.17 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 3c12 s THR 139 CO 0.05 0.43 0.36 -1.58 -0.69 0.00 0.00 174.62 173.19 3c12 s GLN 140 N 0.77 3.65 -0.11 4.92 0.74 0.26 -0.22 119.66 129.67 3c12 s GLN 140 Ca -0.11 -0.02 -0.03 0.00 0.05 0.00 0.00 55.36 55.25 3c12 s GLN 140 Cb -0.16 -2.95 0.04 0.00 1.10 0.00 0.00 33.01 31.05 3c12 s GLN 140 CO 0.02 0.54 0.04 0.99 -0.55 0.00 0.00 175.29 176.33 3c12 s THR 141 N -1.50 0.20 0.76 -0.34 2.01 -0.26 -1.03 115.64 115.49 3c12 s THR 141 Ca 0.36 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.29 3c12 s THR 141 Cb -0.13 -0.56 0.12 0.00 0.01 0.00 0.00 72.50 71.95 3c12 s THR 141 CO 0.21 0.04 1.06 1.51 -0.69 0.00 0.00 174.62 176.75 3c12 s ASP 142 N 2.03 4.23 -0.59 3.53 3.84 -0.82 -1.40 116.67 127.48 3c12 s ASP 142 Ca 0.03 0.02 -0.27 0.00 -0.00 0.00 0.00 52.55 52.33 3c12 s ASP 142 Cb -0.14 -0.42 0.00 0.00 -1.38 0.00 0.00 42.92 40.98 3c12 s ASP 142 CO -0.06 -1.96 1.58 0.42 -0.00 0.00 0.00 175.17 175.15 3c12 s THR 143 N -3.33 3.60 0.00 2.11 -4.23 -1.02 -1.13 115.64 111.64 3c12 s THR 143 Ca 0.66 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.61 3c12 s THR 143 Cb -0.07 -4.29 0.00 0.00 1.34 0.00 0.00 72.50 69.48 3c12 s THR 143 CO 0.46 -1.15 0.00 0.00 -0.54 0.00 0.00 174.62 173.39 3c12 n ALA 144 N 10.72 0.00 0.00 3.99 0.00 -1.26 -4.89 120.51 129.06 3c12 n ALA 144 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3c12 n ALA 144 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3c12 n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3c12 n GLY 145 N 0.00 0.58 3.70 0.00 0.00 -0.29 -5.06 105.19 104.12 3c12 n GLY 145 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3c12 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c12 s ALA 146 N -2.00 3.56 0.05 4.61 0.00 -1.26 -4.78 121.76 121.94 3c12 s ALA 146 Ca 0.00 0.98 -0.00 0.00 0.00 0.00 0.00 51.96 52.94 3c12 s ALA 146 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3c12 s ALA 146 CO 0.00 -0.74 0.20 0.15 0.00 0.00 0.00 175.76 175.37 3c12 s LYS 147 N 1.73 3.41 -0.09 0.00 1.02 -1.26 -1.95 119.74 122.60 3c12 s LYS 147 Ca 0.64 -0.44 -0.29 0.00 0.02 0.00 0.00 55.97 55.90 3c12 s LYS 147 Cb -0.34 -3.03 0.07 0.00 -0.52 0.00 0.00 37.83 34.01 3c12 s LYS 147 CO 0.28 0.62 0.66 -1.54 -0.92 0.00 0.00 175.35 174.45 3c12 s SER 148 N -2.44 -0.65 -0.07 2.83 1.04 -0.19 -4.97 113.70 109.26 3c12 s SER 148 Ca 0.34 0.82 -0.20 0.00 0.48 0.00 0.00 55.95 57.39 3c12 s SER 148 Cb -0.13 0.71 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 3c12 s SER 148 CO 0.27 -0.52 0.56 -0.54 0.98 0.00 0.00 173.24 173.98 3c12 s LYS 149 N -0.88 4.33 0.10 4.02 1.02 -1.26 0.90 119.74 127.97 3c12 s LYS 149 Ca -0.09 0.62 0.07 0.00 0.02 0.00 0.00 55.97 56.59 3c12 s LYS 149 Cb -0.01 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 3c12 s LYS 149 CO 0.08 0.23 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.15 3c12 s LEU 150 N 0.31 3.09 0.18 3.17 1.43 -0.51 -4.93 118.68 121.42 3c12 s LEU 150 Ca 0.30 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 3c12 s LEU 150 Cb -0.17 -1.87 -0.08 0.00 0.03 0.00 0.00 46.19 44.10 3c12 s LEU 150 CO 0.14 0.18 1.21 0.00 0.23 0.00 0.00 176.35 178.11 3c12 s ALA 151 N -1.21 3.44 -0.13 4.21 0.00 -1.26 -4.33 121.76 122.48 3c12 s ALA 151 Ca 0.22 0.96 -0.09 0.00 0.00 0.00 0.00 51.96 53.04 3c12 s ALA 151 Cb -0.11 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 3c12 s ALA 151 CO 0.14 -0.39 0.19 0.95 0.00 0.00 0.00 175.76 176.65 3c12 s THR 152 N 0.02 5.40 -0.18 0.00 -4.23 -1.26 -4.36 115.64 111.04 3c12 s THR 152 Ca 0.53 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.38 3c12 s THR 152 Cb -0.33 -3.48 0.02 0.00 1.34 0.00 0.00 72.50 70.05 3c12 s THR 152 CO 0.36 0.55 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.48 3c12 s TYR 153 N -0.53 2.75 -0.06 3.99 1.51 -0.49 -1.79 117.35 122.72 3c12 s TYR 153 Ca 0.15 -1.61 -0.09 0.00 -1.01 0.00 0.00 57.07 54.50 3c12 s TYR 153 Cb -0.12 -1.90 -0.05 0.00 -0.11 0.00 0.00 41.96 39.78 3c12 s TYR 153 CO 0.04 -0.79 0.24 0.08 -1.11 0.00 0.00 175.55 174.01 3c12 s VAL 154 N 1.28 5.33 -0.12 0.71 1.01 0.76 -0.70 120.40 128.66 3c12 s VAL 154 Ca 0.04 0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 3c12 s VAL 154 Cb -0.13 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3c12 s VAL 154 CO -0.12 0.55 0.40 -0.62 0.00 0.00 0.00 175.10 175.31 3c12 s ASP 155 N -1.21 6.61 -0.03 3.32 -1.08 -0.67 -1.57 116.67 122.05 3c12 s ASP 155 Ca 0.20 0.72 -0.14 0.00 -0.52 0.00 0.00 52.55 52.81 3c12 s ASP 155 Cb -0.14 -2.24 0.02 0.00 -1.46 0.00 0.00 42.92 39.11 3c12 s ASP 155 CO 0.09 0.08 0.31 0.00 0.52 0.00 0.00 175.17 176.18 3c12 s ALA 156 N 0.34 -0.79 0.01 3.66 0.00 -0.46 -4.60 121.76 119.92 3c12 s ALA 156 Ca 0.22 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 3c12 s ALA 156 Cb -0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3c12 s ALA 156 CO 0.08 -0.25 1.04 -1.25 0.00 0.00 0.00 175.76 175.39 3c12 s PRO 157 N -1.10 4.52 -1.03 0.00 0.04 -1.26 -1.09 135.00 135.08 3c12 s PRO 157 Ca -0.12 1.51 -0.23 0.00 0.04 0.00 0.00 61.00 62.21 3c12 s PRO 157 Cb -0.05 -3.43 0.04 0.00 0.04 0.00 0.00 34.50 31.10 3c12 s PRO 157 CO 0.04 -0.11 1.50 0.08 0.04 0.00 0.00 177.00 178.55 3c12 s VAL 158 N 1.05 3.90 0.30 -0.36 1.01 0.62 -1.46 120.40 125.45 3c12 s VAL 158 Ca 0.54 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3c12 s VAL 158 Cb -0.23 -5.00 0.28 0.00 0.00 0.00 0.00 36.38 31.43 3c12 s VAL 158 CO 0.28 -1.88 1.92 -0.78 0.00 0.00 0.00 175.10 174.64 3c12 h ASP 159 N 9.75 0.92 -5.54 3.32 3.58 -1.37 -1.65 116.42 125.44 3c12 h ASP 159 Ca 0.21 0.00 0.24 0.00 0.42 0.00 0.00 57.03 57.90 3c12 h ASP 159 Cb 1.00 -0.20 -0.09 0.00 1.72 0.00 0.00 39.33 41.77 3c12 h ASP 159 CO 1.42 0.60 0.65 -0.94 -2.88 0.00 0.00 179.24 178.09 3c12 s SER 160 N -6.05 -0.10 -0.01 2.28 1.04 -1.15 -4.63 113.70 105.08 3c12 s SER 160 Ca -0.12 -0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.04 3c12 s SER 160 Cb 0.20 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 3c12 s SER 160 CO 0.80 -0.66 -0.19 -0.69 0.98 0.00 0.00 173.24 173.48 3c12 s VAL 161 N -2.74 1.47 -0.02 5.02 1.01 -1.26 -0.09 120.40 123.79 3c12 s VAL 161 Ca 0.15 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.39 3c12 s VAL 161 Cb 0.01 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 3c12 s VAL 161 CO 0.00 0.42 -0.20 -0.89 0.00 0.00 0.00 175.10 174.43 3c12 s THR 162 N -0.44 1.56 -0.29 3.92 2.01 0.80 -4.98 115.64 118.22 3c12 s THR 162 Ca 0.07 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.26 3c12 s THR 162 Cb -0.07 -1.30 0.08 0.00 0.01 0.00 0.00 72.50 71.21 3c12 s THR 162 CO -0.01 0.44 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.70 3c12 s ILE 163 N -0.40 2.14 0.00 1.82 1.01 -1.26 0.64 121.20 125.15 3c12 s ILE 163 Ca 0.06 -1.91 0.00 0.00 0.00 0.00 0.00 60.65 58.80 3c12 s ILE 163 Cb -0.08 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.98 3c12 s ILE 163 CO -0.00 -0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.25 3c12 n GLY 164 N 4.38 4.12 0.28 6.18 0.00 -0.74 -4.99 105.19 114.41 3c12 n GLY 164 Ca -0.06 -2.13 0.04 0.00 0.00 0.00 0.00 46.02 43.87 3c12 n GLY 164 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3c12 h SER 165 N 0.00 0.33 -0.35 1.61 4.64 -2.04 -2.77 113.55 114.97 3c12 h SER 165 Ca 0.00 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 3c12 h SER 165 Cb 0.00 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 61.95 3c12 h SER 165 CO 0.00 0.32 0.12 0.47 -0.87 0.00 0.00 176.83 176.87 3c12 n ASP 166 N -4.42 3.28 0.00 4.97 8.00 -1.26 -5.02 116.55 122.10 3c12 n ASP 166 Ca 0.01 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 52.95 3c12 n ASP 166 Cb 0.13 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 3c12 n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3c12 n GLY 167 N 0.07 -2.15 3.78 0.44 0.00 -1.05 -4.97 105.19 101.31 3c12 n GLY 167 Ca 0.19 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 3c12 n GLY 167 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3c12 s LEU 168 N 0.00 4.36 0.05 0.99 0.20 -1.26 -1.80 118.68 121.21 3c12 s LEU 168 Ca 0.00 0.74 0.06 0.00 0.69 0.00 0.00 54.13 55.63 3c12 s LEU 168 Cb 0.00 -2.49 -0.02 0.00 -0.43 0.00 0.00 46.19 43.24 3c12 s LEU 168 CO 0.00 0.20 -0.18 -0.31 -0.29 0.00 0.00 176.35 175.77 3c12 s TYR 169 N -0.26 1.58 -0.12 5.38 1.51 0.21 -2.71 117.35 122.94 3c12 s TYR 169 Ca 0.21 -0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 55.81 3c12 s TYR 169 Cb -0.15 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 3c12 s TYR 169 CO 0.09 0.08 0.17 -0.51 -1.11 0.00 0.00 175.55 174.27 3c12 s LEU 170 N -1.26 4.37 -0.57 -1.29 1.43 0.12 -0.14 118.68 121.34 3c12 s LEU 170 Ca 0.05 0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 3c12 s LEU 170 Cb -0.09 -2.14 0.14 0.00 0.03 0.00 0.00 46.19 44.14 3c12 s LEU 170 CO 0.02 0.36 0.48 0.20 0.23 0.00 0.00 176.35 177.64 3c12 s ASN 171 N -0.82 6.01 -0.14 2.29 0.01 0.87 -1.37 114.94 121.80 3c12 s ASN 171 Ca 0.15 -2.07 -0.25 0.00 -0.71 0.00 0.00 52.86 49.98 3c12 s ASN 171 Cb -0.12 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 3c12 s ASN 171 CO 0.04 -0.71 0.83 -0.76 -1.51 0.00 0.00 177.10 174.99 3c12 s LEU 172 N 1.14 4.22 0.04 0.60 1.43 0.22 -1.00 118.68 125.32 3c12 s LEU 172 Ca 0.08 1.23 -0.30 0.00 -1.03 0.00 0.00 54.13 54.10 3c12 s LEU 172 Cb -0.24 -3.25 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 3c12 s LEU 172 CO -0.01 -0.34 1.82 -0.89 0.23 0.00 0.00 176.35 177.16 3c12 s THR 173 N 1.83 3.07 0.00 5.49 2.01 -0.54 -0.89 115.64 126.61 3c12 s THR 173 Ca 0.40 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.66 3c12 s THR 173 Cb -0.17 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.17 3c12 s THR 173 CO 0.15 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 3c12 n GLY 174 N 4.31 2.27 0.08 4.40 0.00 -1.26 -4.60 105.19 110.39 3c12 n GLY 174 Ca 0.18 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 3c12 n GLY 174 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3c12 h LEU 175 N 0.00 0.14 0.00 0.99 3.38 -1.92 -3.46 115.31 114.44 3c12 h LEU 175 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 3c12 h LEU 175 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3c12 h LEU 175 CO 0.00 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.88 3c12 n GLY 176 N 0.62 0.23 3.92 0.83 0.00 -0.07 -5.01 105.19 105.71 3c12 n GLY 176 Ca -0.09 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 3c12 n GLY 176 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3c12 s THR 177 N -0.03 5.32 -0.22 2.61 2.01 -1.26 0.73 115.64 124.79 3c12 s THR 177 Ca 0.00 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 61.52 3c12 s THR 177 Cb 0.00 -3.66 0.08 0.00 0.01 0.00 0.00 72.50 68.92 3c12 s THR 177 CO 0.00 0.04 0.52 -0.55 -0.69 0.00 0.00 174.62 173.94 3c12 s SER 178 N -2.71 -0.68 0.20 3.53 0.15 -0.47 -4.91 113.70 108.80 3c12 s SER 178 Ca 0.36 1.17 -0.30 0.00 0.70 0.00 0.00 55.95 57.89 3c12 s SER 178 Cb -0.12 1.19 -0.08 0.00 -1.71 0.00 0.00 66.02 65.30 3c12 s SER 178 CO 0.28 -0.22 1.23 -2.16 1.20 0.00 0.00 173.24 173.57 3c12 s PRO 179 N 1.79 4.47 -0.18 5.44 0.04 -1.26 0.11 135.00 145.40 3c12 s PRO 179 Ca -0.08 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 3c12 s PRO 179 Cb -0.08 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 3c12 s PRO 179 CO -0.16 -0.12 2.08 -1.17 0.04 0.00 0.00 177.00 177.68 3c12 s LEU 180 N -0.36 3.69 0.00 -3.56 1.98 -1.10 -1.24 118.68 118.09 3c12 s LEU 180 Ca 0.53 1.97 0.00 0.00 -2.89 0.00 0.00 54.13 53.74 3c12 s LEU 180 Cb -0.34 -3.52 0.00 0.00 0.66 0.00 0.00 46.19 42.99 3c12 s LEU 180 CO 0.38 -1.70 0.00 0.00 -1.89 0.00 0.00 176.35 173.14 3c12 n ALA 181 N 10.46 0.00 0.92 5.97 0.00 -1.26 -4.88 120.51 131.72 3c12 n ALA 181 Ca 0.26 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.80 3c12 n ALA 181 Cb 0.44 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.39 3c12 n ALA 181 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3c12 n ASN 182 N 0.00 0.00 -4.73 0.00 5.03 -0.38 -4.76 115.26 110.42 3c12 n ASN 182 Ca 0.00 0.05 -0.41 0.00 0.87 0.00 0.00 54.58 55.09 3c12 n ASN 182 Cb 0.00 -0.31 -0.03 0.00 -1.02 0.00 0.00 39.78 38.42 3c12 n ASN 182 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3c12 s VAL 183 N -2.62 3.43 -0.06 2.41 1.01 -1.26 -4.13 120.40 119.18 3c12 s VAL 183 Ca 0.18 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 3c12 s VAL 183 Cb 0.13 -3.74 -0.26 0.00 0.00 0.00 0.00 36.38 32.51 3c12 s VAL 183 CO 0.31 0.17 0.59 0.25 0.00 0.00 0.00 175.10 176.42 3c12 h LEU 184 N 5.52 0.33 0.00 3.92 7.12 -0.15 -3.49 115.31 128.57 3c12 h LEU 184 Ca -0.44 -0.63 0.00 0.00 0.13 0.00 0.00 57.88 56.94 3c12 h LEU 184 Cb 1.21 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 3c12 h LEU 184 CO 0.77 1.55 0.00 -2.11 -0.13 0.00 0.00 178.44 178.52 3c12 n ARG 185 N -3.38 0.00 -2.94 1.25 1.85 -1.22 -4.99 116.66 107.22 3c12 n ARG 185 Ca -0.24 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.18 3c12 n ARG 185 Cb 1.05 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.43 3c12 n ARG 185 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3c12 s VAL 186 N -2.00 4.62 0.00 8.89 1.01 -1.26 -1.37 120.40 130.28 3c12 s VAL 186 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.92 3c12 s VAL 186 Cb 0.00 -4.69 0.00 0.00 0.00 0.00 0.00 36.38 31.69 3c12 s VAL 186 CO 0.00 -1.41 0.03 -1.20 0.00 0.00 0.00 175.10 172.52