#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a34 n GLY 14 N 0.00 1.59 0.00 3.38 0.00 -1.26 -5.00 105.19 103.90 1a34 n GLY 14 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1a34 n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a34 n ASP 15 N 4.32 0.00 0.00 1.61 8.00 -1.26 -4.91 116.55 124.32 1a34 n ASP 15 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1a34 n ASP 15 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1a34 n ASP 15 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1a34 n ASN 16 N 0.00 0.00 -4.73 -2.24 5.03 -1.26 -5.02 115.26 107.04 1a34 n ASN 16 Ca 0.00 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 1a34 n ASN 16 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 1a34 n ASN 16 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1a34 s SER 17 N -1.49 7.06 0.00 6.41 0.15 -1.26 -4.97 113.70 119.60 1a34 s SER 17 Ca 0.00 2.17 0.08 0.00 0.70 0.00 0.00 55.95 58.90 1a34 s SER 17 Cb 0.00 -2.60 0.10 0.00 -1.71 0.00 0.00 66.02 61.81 1a34 s SER 17 CO 0.00 -0.43 0.85 0.59 1.20 0.00 0.00 173.24 175.45 1a34 n ASN 18 N 3.11 1.89 -4.33 5.45 5.03 -1.26 -5.02 115.26 120.12 1a34 n ASN 18 Ca 0.06 -1.48 -0.17 0.00 0.87 0.00 0.00 54.58 53.86 1a34 n ASN 18 Cb 0.45 -0.04 -0.10 0.00 -1.02 0.00 0.00 39.78 39.07 1a34 n ASN 18 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1a34 s VAL 19 N -0.74 1.04 0.37 2.41 -7.23 -1.26 -5.12 120.40 109.87 1a34 s VAL 19 Ca 0.11 -2.04 -0.27 0.00 -1.81 0.00 0.00 61.98 57.97 1a34 s VAL 19 Cb 0.07 -2.33 -0.10 0.00 0.56 0.00 0.00 36.38 34.59 1a34 s VAL 19 CO 0.10 -0.34 1.34 0.68 -0.31 0.00 0.00 175.10 176.58 1a34 s VAL 20 N -3.41 2.53 0.10 1.32 -7.23 -1.26 -5.03 120.40 107.41 1a34 s VAL 20 Ca 0.28 0.51 0.05 0.00 -1.81 0.00 0.00 61.98 61.01 1a34 s VAL 20 Cb 0.06 -3.31 -0.03 0.00 0.56 0.00 0.00 36.38 33.65 1a34 s VAL 20 CO 0.08 0.10 -0.12 0.42 -0.31 0.00 0.00 175.10 175.27 1a34 s THR 21 N -1.18 1.11 0.36 5.32 -4.23 -1.26 -5.14 115.64 110.62 1a34 s THR 21 Ca 0.53 -1.58 -0.26 0.00 -1.18 0.00 0.00 61.69 59.21 1a34 s THR 21 Cb -0.41 -1.33 -0.09 0.00 1.34 0.00 0.00 72.50 72.01 1a34 s THR 21 CO 0.54 -0.42 1.08 -0.32 -0.54 0.00 0.00 174.62 174.95 1a34 s MET 22 N -2.47 4.30 -0.16 3.99 1.75 -1.26 -5.05 119.30 120.39 1a34 s MET 22 Ca 0.05 1.63 -0.02 0.00 -1.25 0.00 0.00 55.69 56.10 1a34 s MET 22 Cb -0.05 -2.76 -0.01 0.00 2.84 0.00 0.00 34.83 34.85 1a34 s MET 22 CO 0.02 -0.05 -0.10 0.42 -0.65 0.00 0.00 175.02 174.66 1a34 s ILE 23 N -1.48 3.20 -1.27 10.11 1.01 -1.26 -5.05 121.20 126.46 1a34 s ILE 23 Ca 0.54 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 1a34 s ILE 23 Cb -0.26 -2.39 0.16 0.00 0.01 0.00 0.00 42.46 39.98 1a34 s ILE 23 CO 0.33 0.49 1.74 0.54 0.00 0.00 0.00 174.94 178.04 1a34 n ARG 24 N 3.97 3.49 -1.67 2.79 1.74 -1.26 -4.99 116.66 120.73 1a34 n ARG 24 Ca -0.18 -3.58 -0.38 0.00 -0.77 0.00 0.00 57.85 52.93 1a34 n ARG 24 Cb 0.52 -3.00 0.05 0.00 -1.02 0.00 0.00 32.46 29.00 1a34 n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a34 n ALA 25 N 4.73 0.75 -2.35 7.54 0.00 -1.26 -5.04 120.51 124.89 1a34 n ALA 25 Ca 0.40 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1a34 n ALA 25 Cb 0.39 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1a34 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a34 n GLY 26 N 1.06 1.62 3.83 0.00 0.00 -1.26 -5.10 105.19 105.34 1a34 n GLY 26 Ca 0.12 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1a34 n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a34 s SER 27 N -0.30 5.54 0.17 1.61 1.04 -1.26 -4.97 113.70 115.53 1a34 s SER 27 Ca 0.00 1.52 -0.32 0.00 0.48 0.00 0.00 55.95 57.63 1a34 s SER 27 Cb 0.00 -2.43 -0.11 0.00 0.10 0.00 0.00 66.02 63.58 1a34 s SER 27 CO 0.00 -1.33 1.69 -0.47 0.98 0.00 0.00 173.24 174.11 1a34 s TYR 28 N -3.10 2.82 0.79 5.02 5.04 -1.26 -4.98 117.35 121.67 1a34 s TYR 28 Ca 0.57 0.38 -0.10 0.00 -2.44 0.00 0.00 57.07 55.48 1a34 s TYR 28 Cb -0.13 -4.07 0.10 0.00 0.35 0.00 0.00 41.96 38.20 1a34 s TYR 28 CO 0.55 -4.09 1.13 -1.25 -1.34 0.00 0.00 175.55 170.54 1a34 s PRO 29 N 1.47 1.81 0.26 4.97 0.04 -1.26 -5.02 135.00 137.27 1a34 s PRO 29 Ca 0.74 -0.20 -0.30 0.00 0.04 0.00 0.00 61.00 61.29 1a34 s PRO 29 Cb -0.47 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 1a34 s PRO 29 CO 0.32 -1.59 1.14 0.15 0.04 0.00 0.00 177.00 177.07 1a34 s LYS 30 N -5.48 4.58 0.26 4.56 -0.14 -1.26 -5.03 119.74 117.23 1a34 s LYS 30 Ca 0.64 1.86 0.03 0.00 -1.36 0.00 0.00 55.97 57.13 1a34 s LYS 30 Cb -0.09 -3.19 -0.05 0.00 -1.68 0.00 0.00 37.83 32.81 1a34 s LYS 30 CO 0.48 0.10 0.05 0.14 -0.76 0.00 0.00 175.35 175.35 1a34 s VAL 31 N -0.87 0.89 -0.28 3.17 -7.23 -1.26 -5.14 120.40 109.68 1a34 s VAL 31 Ca 0.47 -2.01 -0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1a34 s VAL 31 Cb -0.33 -2.55 0.17 0.00 0.56 0.00 0.00 36.38 34.23 1a34 s VAL 31 CO 0.41 -0.14 0.51 0.21 -0.31 0.00 0.00 175.10 175.79 1a34 s ASN 32 N -3.35 -0.76 0.41 4.85 2.47 -1.26 -5.04 114.94 112.27 1a34 s ASN 32 Ca 0.34 0.44 0.28 0.00 0.42 0.00 0.00 52.86 54.34 1a34 s ASN 32 Cb 0.07 1.73 1.00 0.00 -1.45 0.00 0.00 41.25 42.60 1a34 s ASN 32 CO 0.12 -0.29 1.82 1.55 -3.72 0.00 0.00 177.10 176.58 1a34 h PRO 33 N 8.07 0.00 -2.73 0.43 0.13 -2.06 -3.38 132.00 132.46 1a34 h PRO 33 Ca -0.17 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.35 1a34 h PRO 33 Cb 1.16 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.88 1a34 h PRO 33 CO 0.25 0.00 -0.72 0.25 -0.23 0.00 0.00 178.00 177.55 1a34 n THR 34 N -2.76 0.79 -1.88 1.56 -2.24 -1.26 -5.12 114.28 103.37 1a34 n THR 34 Ca 0.02 -4.46 -0.29 0.00 -2.27 0.00 0.00 64.05 57.05 1a34 n THR 34 Cb 0.34 -2.02 0.14 0.00 -2.10 0.00 0.00 70.33 66.70 1a34 n THR 34 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1a34 s PRO 35 N -1.13 1.27 0.79 -0.78 0.04 -1.26 -5.07 135.00 128.86 1a34 s PRO 35 Ca 0.29 -0.11 -0.12 0.00 0.04 0.00 0.00 61.00 61.10 1a34 s PRO 35 Cb 0.01 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.73 1a34 s PRO 35 CO -0.16 -2.04 1.14 0.95 0.04 0.00 0.00 177.00 176.94 1a34 s THR 36 N -3.69 2.52 -0.21 1.26 -4.23 -1.26 -4.89 115.64 105.14 1a34 s THR 36 Ca 0.68 0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 61.26 1a34 s THR 36 Cb -0.08 -3.11 0.08 0.00 1.34 0.00 0.00 72.50 70.73 1a34 s THR 36 CO 0.51 -0.22 0.48 0.86 -0.54 0.00 0.00 174.62 175.71 1a34 s TRP 37 N -3.44 -0.84 -0.14 3.99 -0.00 -0.81 -4.99 118.94 112.71 1a34 s TRP 37 Ca 0.61 1.63 -0.21 0.00 -0.00 0.00 0.00 56.10 58.14 1a34 s TRP 37 Cb -0.12 0.40 -0.03 0.00 -0.00 0.00 0.00 33.47 33.72 1a34 s TRP 37 CO 0.51 -0.47 0.60 0.08 -0.00 0.00 0.00 176.95 177.67 1a34 s VAL 38 N 2.14 5.08 0.12 5.86 1.01 -1.26 -0.89 120.40 132.46 1a34 s VAL 38 Ca -0.06 1.18 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 1a34 s VAL 38 Cb -0.10 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1a34 s VAL 38 CO -0.14 0.21 0.13 -0.13 0.00 0.00 0.00 175.10 175.17 1a34 s ARG 39 N 1.24 0.94 -0.29 2.72 1.81 0.11 -5.00 118.95 120.47 1a34 s ARG 39 Ca 0.30 -1.27 0.03 0.00 -1.72 0.00 0.00 55.73 53.07 1a34 s ARG 39 Cb -0.16 0.29 0.08 0.00 -0.45 0.00 0.00 34.95 34.71 1a34 s ARG 39 CO 0.12 -0.29 -0.01 0.00 -0.68 0.00 0.00 175.30 174.44 1a34 s ALA 40 N -3.98 2.52 -0.26 2.13 0.00 -1.26 -0.90 121.76 120.01 1a34 s ALA 40 Ca 0.17 -2.02 -0.13 0.00 0.00 0.00 0.00 51.96 49.99 1a34 s ALA 40 Cb 0.06 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1a34 s ALA 40 CO -0.02 -1.45 0.27 0.42 0.00 0.00 0.00 175.76 174.99 1a34 s ILE 41 N 1.11 5.26 -0.24 0.00 -1.09 0.01 -4.87 121.20 121.37 1a34 s ILE 41 Ca 0.02 0.38 -0.11 0.00 -2.23 0.00 0.00 60.65 58.71 1a34 s ILE 41 Cb -0.19 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 1a34 s ILE 41 CO -0.08 0.23 0.17 -2.16 -1.23 0.00 0.00 174.94 171.87 1a34 s PRO 42 N 1.70 4.06 0.14 2.79 0.04 -1.26 -1.03 135.00 141.44 1a34 s PRO 42 Ca 0.11 -0.27 -0.13 0.00 0.04 0.00 0.00 61.00 60.75 1a34 s PRO 42 Cb -0.15 -3.55 0.02 0.00 0.04 0.00 0.00 34.50 30.86 1a34 s PRO 42 CO 0.09 0.04 0.35 -0.59 0.04 0.00 0.00 177.00 176.94 1a34 s PHE 43 N 1.11 0.00 0.15 0.56 -0.71 -0.67 -5.00 117.98 113.43 1a34 s PHE 43 Ca 0.08 -0.36 0.10 0.00 -1.04 0.00 0.00 56.93 55.70 1a34 s PHE 43 Cb -0.14 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 1a34 s PHE 43 CO 0.05 -0.71 -0.18 -1.21 -1.34 0.00 0.00 175.22 171.83 1a34 s GLU 44 N -3.86 1.76 0.05 1.99 8.01 -1.26 -0.55 118.70 124.83 1a34 s GLU 44 Ca 0.07 -1.29 0.05 0.00 0.01 0.00 0.00 54.97 53.81 1a34 s GLU 44 Cb 0.02 -2.05 -0.02 0.00 -4.31 0.00 0.00 34.13 27.77 1a34 s GLU 44 CO -0.08 0.45 -0.14 0.14 0.01 0.00 0.00 175.26 175.64 1a34 s VAL 45 N -1.38 1.06 -0.05 2.63 -7.23 -0.39 -4.98 120.40 110.07 1a34 s VAL 45 Ca 0.20 -1.09 -0.19 0.00 -1.81 0.00 0.00 61.98 59.09 1a34 s VAL 45 Cb -0.10 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 1a34 s VAL 45 CO 0.11 -0.09 0.52 -0.44 -0.31 0.00 0.00 175.10 174.89 1a34 s SER 46 N -1.34 6.84 0.04 4.85 0.01 -1.26 -1.40 113.70 121.44 1a34 s SER 46 Ca -0.00 1.00 0.07 0.00 1.31 0.00 0.00 55.95 58.33 1a34 s SER 46 Cb -0.09 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 1a34 s SER 46 CO 0.02 0.10 -0.20 -0.69 0.41 0.00 0.00 173.24 172.87 1a34 s VAL 47 N -0.03 1.61 0.15 3.43 1.01 -0.14 -4.97 120.40 121.45 1a34 s VAL 47 Ca 0.28 -1.17 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1a34 s VAL 47 Cb -0.17 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1a34 s VAL 47 CO 0.14 0.19 0.11 -1.10 0.00 0.00 0.00 175.10 174.45 1a34 s GLN 48 N -1.15 2.85 0.21 2.72 -0.21 -1.26 -4.44 119.66 118.38 1a34 s GLN 48 Ca 0.07 -0.86 -0.31 0.00 0.02 0.00 0.00 55.36 54.29 1a34 s GLN 48 Cb -0.09 -2.63 -0.10 0.00 1.00 0.00 0.00 33.01 31.19 1a34 s GLN 48 CO 0.02 0.50 1.47 0.45 -2.12 0.00 0.00 175.29 175.61 1a34 s SER 49 N -2.95 6.65 -0.17 5.90 0.15 -1.26 -2.86 113.70 119.16 1a34 s SER 49 Ca 0.30 2.62 0.00 0.00 0.70 0.00 0.00 55.95 59.58 1a34 s SER 49 Cb -0.10 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1a34 s SER 49 CO 0.23 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1a34 n GLY 50 N 2.78 0.35 3.15 9.45 0.00 -1.26 -5.00 105.19 114.67 1a34 n GLY 50 Ca 0.09 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1a34 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a34 s ILE 51 N -1.55 1.64 0.28 -0.61 1.01 -1.13 -5.12 121.20 115.72 1a34 s ILE 51 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 1a34 s ILE 51 Cb 0.00 -1.43 -0.09 0.00 0.01 0.00 0.00 42.46 40.95 1a34 s ILE 51 CO 0.00 0.47 0.99 0.00 0.00 0.00 0.00 174.94 176.40 1a34 s ALA 52 N 0.28 3.31 -0.19 9.38 0.00 -1.26 -4.44 121.76 128.84 1a34 s ALA 52 Ca -0.12 0.68 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 1a34 s ALA 52 Cb -0.15 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1a34 s ALA 52 CO 0.05 0.08 -0.07 0.12 0.00 0.00 0.00 175.76 175.94 1a34 s PHE 53 N -1.29 2.92 -0.31 0.00 5.36 -0.35 -4.92 117.98 119.39 1a34 s PHE 53 Ca 0.45 -0.83 -0.24 0.00 -0.96 0.00 0.00 56.93 55.35 1a34 s PHE 53 Cb -0.26 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 1a34 s PHE 53 CO 0.32 -0.43 0.81 0.15 -1.46 0.00 0.00 175.22 174.62 1a34 s LYS 54 N 1.09 3.95 -0.33 10.12 1.02 -1.26 -0.79 119.74 133.53 1a34 s LYS 54 Ca 0.01 0.60 -0.29 0.00 0.02 0.00 0.00 55.97 56.30 1a34 s LYS 54 Cb -0.15 -3.74 0.02 0.00 -0.52 0.00 0.00 37.83 33.44 1a34 s LYS 54 CO -0.01 -0.72 1.12 0.08 -0.92 0.00 0.00 175.35 174.90 1a34 s VAL 55 N 3.03 4.43 0.31 3.17 1.01 -0.11 -4.98 120.40 127.25 1a34 s VAL 55 Ca 0.33 1.63 -0.27 0.00 0.00 0.00 0.00 61.98 63.67 1a34 s VAL 55 Cb -0.14 -4.39 -0.09 0.00 0.00 0.00 0.00 36.38 31.76 1a34 s VAL 55 CO 0.13 -0.52 0.98 -2.16 0.00 0.00 0.00 175.10 173.53 1a34 s PRO 56 N 3.79 4.60 0.44 2.72 0.04 -1.26 -0.51 135.00 144.82 1a34 s PRO 56 Ca 0.47 1.45 0.17 0.00 0.04 0.00 0.00 61.00 63.13 1a34 s PRO 56 Cb -0.13 -2.93 1.02 0.00 0.04 0.00 0.00 34.50 32.51 1a34 s PRO 56 CO 0.18 0.27 1.96 0.28 0.04 0.00 0.00 177.00 179.73 1a34 h VAL 57 N 2.74 1.04 -0.30 -0.36 2.07 -1.14 -2.73 116.25 117.58 1a34 h VAL 57 Ca -0.47 -0.78 0.09 0.00 0.82 0.00 0.00 66.70 66.36 1a34 h VAL 57 Cb 1.20 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1a34 h VAL 57 CO 0.66 0.21 0.41 1.23 0.02 0.00 0.00 177.57 180.10 1a34 h GLY 58 N 0.77 0.00 2.00 2.17 0.00 -1.63 -0.82 103.07 105.56 1a34 h GLY 58 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1a34 h GLY 58 CO 0.03 0.00 -0.03 1.76 0.00 0.00 0.00 176.54 178.30 1a34 h SER 59 N 0.00 0.00 1.56 0.19 0.02 -1.79 -2.82 113.55 110.71 1a34 h SER 59 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1a34 h SER 59 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1a34 h SER 59 CO -0.00 0.03 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.57 1a34 h LEU 60 N 0.00 0.00 -8.31 5.07 3.38 -1.37 -3.42 115.31 110.66 1a34 h LEU 60 Ca -0.00 -0.02 -0.74 0.00 0.09 0.00 0.00 57.88 57.22 1a34 h LEU 60 Cb 0.29 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.81 1a34 h LEU 60 CO 0.00 0.01 -0.34 -0.36 0.09 0.00 0.00 178.44 177.84 1a34 s PHE 61 N -3.15 3.25 -0.13 1.13 0.08 -1.07 -4.79 117.98 113.31 1a34 s PHE 61 Ca 0.09 -0.94 -0.29 0.00 0.12 0.00 0.00 56.93 55.91 1a34 s PHE 61 Cb 0.10 -3.12 0.09 0.00 -0.57 0.00 0.00 43.02 39.52 1a34 s PHE 61 CO 0.63 -0.79 0.79 0.45 -0.10 0.00 0.00 175.22 176.21 1a34 s SER 62 N 2.51 -0.59 0.57 1.36 0.15 -1.26 -4.76 113.70 111.69 1a34 s SER 62 Ca 0.04 0.76 0.31 0.00 0.70 0.00 0.00 55.95 57.76 1a34 s SER 62 Cb -0.24 0.65 1.74 0.00 -1.71 0.00 0.00 66.02 66.46 1a34 s SER 62 CO 0.07 -0.45 2.19 0.00 1.20 0.00 0.00 173.24 176.24 1a34 h ALA 63 N 3.29 1.34 0.00 5.45 0.00 -1.94 -1.37 119.26 126.03 1a34 h ALA 63 Ca -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1a34 h ALA 63 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1a34 h ALA 63 CO 0.30 0.06 0.00 -0.91 0.00 0.00 0.00 179.25 178.70 1a34 h ASN 64 N 0.00 0.00 -0.03 0.00 2.35 -1.99 -2.23 115.58 113.68 1a34 h ASN 64 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a34 h ASN 64 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1a34 h ASN 64 CO 0.01 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.28 1a34 n PHE 65 N -2.87 0.04 -2.02 1.19 3.72 -0.61 -4.99 117.46 111.93 1a34 n PHE 65 Ca -0.01 -0.32 -0.15 0.00 -0.05 0.00 0.00 57.45 56.93 1a34 n PHE 65 Cb 0.17 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 1a34 n PHE 65 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1a34 n ARG 66 N -0.20 -1.13 -0.05 -1.08 1.74 -0.84 -4.92 116.66 110.19 1a34 n ARG 66 Ca 0.01 0.81 0.06 0.00 -0.77 0.00 0.00 57.85 57.96 1a34 n ARG 66 Cb 0.19 -5.06 0.08 0.00 -1.02 0.00 0.00 32.46 26.65 1a34 n ARG 66 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1a34 n THR 67 N -3.57 1.50 0.43 0.55 -2.24 -0.67 -4.71 114.28 105.56 1a34 n THR 67 Ca -0.17 -1.69 0.07 0.00 -2.27 0.00 0.00 64.05 59.99 1a34 n THR 67 Cb 0.59 0.09 0.32 0.00 -2.10 0.00 0.00 70.33 69.22 1a34 n THR 67 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1a34 n ASP 68 N -0.98 0.13 -0.12 3.42 5.75 -1.19 -2.36 116.55 121.19 1a34 n ASP 68 Ca 0.09 0.53 0.13 0.00 -0.01 0.00 0.00 54.79 55.54 1a34 n ASP 68 Cb 0.47 -0.56 0.43 0.00 -1.03 0.00 0.00 41.12 40.43 1a34 n ASP 68 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1a34 n SER 69 N -1.65 0.63 -4.91 -1.12 3.41 -1.26 -4.88 113.62 103.85 1a34 n SER 69 Ca 0.03 -0.50 -0.30 0.00 -0.26 0.00 0.00 58.87 57.84 1a34 n SER 69 Cb 0.16 0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1a34 n SER 69 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1a34 s PHE 70 N -2.68 3.48 0.00 7.33 0.08 -1.00 -5.00 117.98 120.19 1a34 s PHE 70 Ca 0.21 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.74 1a34 s PHE 70 Cb 0.19 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1a34 s PHE 70 CO 0.56 0.43 0.08 0.25 -0.10 0.00 0.00 175.22 176.44 1a34 n THR 71 N -0.08 0.00 -4.13 0.64 -2.24 -1.26 -4.96 114.28 102.25 1a34 n THR 71 Ca -0.03 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.18 1a34 n THR 71 Cb 0.52 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.66 1a34 n THR 71 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1a34 s SER 72 N -0.79 0.91 -0.14 3.42 0.01 -1.24 -4.35 113.70 111.52 1a34 s SER 72 Ca 0.00 -0.96 -0.22 0.00 1.31 0.00 0.00 55.95 56.08 1a34 s SER 72 Cb 0.00 0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.41 1a34 s SER 72 CO 0.00 -0.48 0.56 0.54 0.41 0.00 0.00 173.24 174.27 1a34 s VAL 73 N -3.50 0.01 -0.31 3.43 0.11 -0.88 -2.91 120.40 116.36 1a34 s VAL 73 Ca 0.08 -0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 58.99 1a34 s VAL 73 Cb 0.05 -0.82 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1a34 s VAL 73 CO -0.06 -0.04 0.10 -0.89 -3.33 0.00 0.00 175.10 170.88 1a34 s THR 74 N -0.33 4.02 0.03 5.04 2.01 -0.01 -1.23 115.64 125.18 1a34 s THR 74 Ca -0.05 -0.75 -0.27 0.00 0.31 0.00 0.00 61.69 60.93 1a34 s THR 74 Cb -0.03 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 1a34 s THR 74 CO 0.04 0.02 0.85 -0.69 -0.69 0.00 0.00 174.62 174.15 1a34 s VAL 75 N 1.50 4.76 -0.20 3.82 1.01 -1.26 -0.66 120.40 129.36 1a34 s VAL 75 Ca 0.02 1.80 -0.00 0.00 0.00 0.00 0.00 61.98 63.80 1a34 s VAL 75 Cb -0.18 -4.20 -0.12 0.00 0.00 0.00 0.00 36.38 31.89 1a34 s VAL 75 CO 0.03 0.29 -0.19 0.23 0.00 0.00 0.00 175.10 175.46 1a34 n MET 76 N 3.20 0.48 -3.61 2.72 2.81 0.08 -4.83 117.12 117.96 1a34 n MET 76 Ca 0.01 0.12 -0.13 0.00 -1.81 0.00 0.00 57.70 55.89 1a34 n MET 76 Cb 0.50 -1.36 -0.06 0.00 -0.71 0.00 0.00 33.22 31.59 1a34 n MET 76 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1a34 s SER 77 N -6.02 -0.38 -0.07 7.83 1.04 -1.04 -1.35 113.70 113.70 1a34 s SER 77 Ca -0.26 0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.28 1a34 s SER 77 Cb 0.07 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1a34 s SER 77 CO 0.43 -0.70 -0.10 -0.69 0.98 0.00 0.00 173.24 173.16 1a34 s VAL 78 N -2.49 0.99 0.01 5.02 1.01 -0.52 -1.48 120.40 122.93 1a34 s VAL 78 Ca -0.05 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.63 1a34 s VAL 78 Cb -0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1a34 s VAL 78 CO -0.02 0.33 -0.20 -0.13 0.00 0.00 0.00 175.10 175.08 1a34 s ARG 79 N 0.90 1.52 0.02 2.72 0.52 -0.75 -1.07 118.95 122.82 1a34 s ARG 79 Ca -0.10 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.35 1a34 s ARG 79 Cb -0.15 -1.52 -0.02 0.00 0.52 0.00 0.00 34.95 33.78 1a34 s ARG 79 CO 0.01 0.41 -0.08 0.00 0.02 0.00 0.00 175.30 175.65 1a34 s ALA 80 N -0.58 0.66 0.02 2.13 0.00 0.25 -1.16 121.76 123.07 1a34 s ALA 80 Ca 0.07 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.49 1a34 s ALA 80 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1a34 s ALA 80 CO 0.00 0.08 -0.09 -1.58 0.00 0.00 0.00 175.76 174.18 1a34 s TRP 81 N -0.78 0.76 0.43 0.00 0.51 0.60 -2.03 118.94 118.43 1a34 s TRP 81 Ca -0.03 -0.26 -0.25 0.00 -2.12 0.00 0.00 56.10 53.45 1a34 s TRP 81 Cb -0.06 -0.47 -0.08 0.00 -0.81 0.00 0.00 33.47 32.05 1a34 s TRP 81 CO 0.00 -0.02 1.22 0.95 -0.51 0.00 0.00 176.95 178.60 1a34 s THR 82 N -0.60 2.91 -0.37 2.01 -4.23 -0.56 0.13 115.64 114.93 1a34 s THR 82 Ca -0.01 0.75 0.05 0.00 -1.18 0.00 0.00 61.69 61.31 1a34 s THR 82 Cb -0.06 -3.42 -0.03 0.00 1.34 0.00 0.00 72.50 70.34 1a34 s THR 82 CO 0.00 0.06 0.34 1.67 -0.54 0.00 0.00 174.62 176.16 1a34 n GLN 83 N -0.11 3.77 -4.26 3.99 -0.06 -0.35 -4.67 117.38 115.68 1a34 n GLN 83 Ca 0.05 -0.24 -0.14 0.00 -2.00 0.00 0.00 57.00 54.67 1a34 n GLN 83 Cb 0.46 -0.84 -0.10 0.00 -4.06 0.00 0.00 30.24 25.70 1a34 n GLN 83 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1a34 s LEU 84 N -1.73 2.04 0.66 1.69 1.43 -1.25 -4.94 118.68 116.57 1a34 s LEU 84 Ca 0.03 -1.21 -0.16 0.00 -1.03 0.00 0.00 54.13 51.76 1a34 s LEU 84 Cb 0.04 -0.06 -0.00 0.00 0.03 0.00 0.00 46.19 46.20 1a34 s LEU 84 CO 0.17 -0.59 1.14 0.42 0.23 0.00 0.00 176.35 177.71 1a34 s THR 85 N -3.66 2.99 0.84 5.49 -4.23 -1.26 -4.79 115.64 111.02 1a34 s THR 85 Ca 0.27 0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 61.15 1a34 s THR 85 Cb 0.06 -3.04 0.12 0.00 1.34 0.00 0.00 72.50 70.98 1a34 s THR 85 CO 0.06 -0.25 1.19 -2.16 -0.54 0.00 0.00 174.62 172.92 1a34 s PRO 86 N -3.90 1.52 0.80 3.99 0.04 -1.26 -4.65 135.00 131.54 1a34 s PRO 86 Ca 0.70 -0.20 -0.13 0.00 0.04 0.00 0.00 61.00 61.41 1a34 s PRO 86 Cb -0.23 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.41 1a34 s PRO 86 CO 0.40 -1.82 1.18 -2.14 0.04 0.00 0.00 177.00 174.66 1a34 s PRO 87 N -5.61 1.72 0.31 0.56 0.02 -1.26 -4.90 135.00 125.84 1a34 s PRO 87 Ca 0.66 1.65 -0.28 0.00 0.02 0.00 0.00 61.00 63.04 1a34 s PRO 87 Cb -0.08 -1.80 -0.13 0.00 0.02 0.00 0.00 34.50 32.51 1a34 s PRO 87 CO 0.49 -2.13 1.20 1.55 -0.33 0.00 0.00 177.00 177.79 1a34 n VAL 88 N -3.35 1.87 -0.25 3.83 3.14 -1.26 -2.08 118.33 120.24 1a34 n VAL 88 Ca 0.13 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 1a34 n VAL 88 Cb 0.51 -1.35 0.00 0.00 -1.06 0.00 0.00 33.84 31.94 1a34 n VAL 88 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1a34 n ASN 89 N 1.08 0.00 -4.79 6.55 3.02 -1.26 -5.01 115.26 114.85 1a34 n ASN 89 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.40 1a34 n ASN 89 Cb 0.34 -0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 1a34 n ASN 89 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1a34 s GLU 90 N -0.03 2.69 -0.01 3.52 2.02 -0.88 -5.12 118.70 120.89 1a34 s GLU 90 Ca 0.00 -1.25 -0.02 0.00 0.02 0.00 0.00 54.97 53.72 1a34 s GLU 90 Cb 0.00 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.77 1a34 s GLU 90 CO 0.00 0.27 0.16 0.71 0.02 0.00 0.00 175.26 176.42 1a34 s TYR 91 N -2.25 3.50 0.57 1.61 1.51 -1.26 -4.76 117.35 116.27 1a34 s TYR 91 Ca 0.35 0.33 -0.19 0.00 -1.01 0.00 0.00 57.07 56.56 1a34 s TYR 91 Cb -0.06 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1a34 s TYR 91 CO 0.24 0.63 1.16 -1.12 -1.11 0.00 0.00 175.55 175.35 1a34 s SER 92 N -1.86 5.46 0.02 2.29 0.01 -1.26 -4.81 113.70 113.54 1a34 s SER 92 Ca 0.26 2.25 -0.07 0.00 1.31 0.00 0.00 55.95 59.70 1a34 s SER 92 Cb -0.12 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.52 1a34 s SER 92 CO 0.17 -1.40 0.13 0.72 0.41 0.00 0.00 173.24 173.27 1a34 s PHE 93 N -1.74 0.08 -0.06 2.43 -0.12 -1.26 -0.88 117.98 116.43 1a34 s PHE 93 Ca 0.74 -0.24 -0.05 0.00 -0.05 0.00 0.00 56.93 57.34 1a34 s PHE 93 Cb -0.26 -0.07 0.02 0.00 -0.63 0.00 0.00 43.02 42.08 1a34 s PHE 93 CO 0.30 -0.32 0.16 0.54 -0.05 0.00 0.00 175.22 175.85 1a34 s VAL 94 N -1.79 -0.02 0.02 -2.49 0.11 -0.61 -3.62 120.40 112.01 1a34 s VAL 94 Ca -0.12 0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1a34 s VAL 94 Cb -0.05 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1a34 s VAL 94 CO -0.00 0.03 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.46 1a34 s ARG 95 N 0.51 1.44 -0.07 1.54 0.52 -0.01 -1.68 118.95 121.20 1a34 s ARG 95 Ca -0.04 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 1a34 s ARG 95 Cb -0.05 -1.50 0.01 0.00 0.52 0.00 0.00 34.95 33.93 1a34 s ARG 95 CO -0.02 0.39 -0.13 -0.51 0.02 0.00 0.00 175.30 175.04 1a34 s LEU 96 N -0.94 1.68 -0.27 2.53 1.43 0.23 -1.96 118.68 121.38 1a34 s LEU 96 Ca 0.07 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1a34 s LEU 96 Cb -0.08 -0.90 0.05 0.00 0.03 0.00 0.00 46.19 45.29 1a34 s LEU 96 CO 0.01 0.04 -0.08 -0.75 0.23 0.00 0.00 176.35 175.80 1a34 s LYS 97 N 0.68 2.42 0.29 1.70 2.20 -0.34 -1.84 119.74 124.85 1a34 s LYS 97 Ca -0.14 -1.24 -0.30 0.00 -0.36 0.00 0.00 55.97 53.93 1a34 s LYS 97 Cb -0.16 -2.97 -0.11 0.00 -1.51 0.00 0.00 37.83 33.08 1a34 s LYS 97 CO 0.04 -0.54 1.49 -2.14 -0.36 0.00 0.00 175.35 173.83 1a34 s PRO 98 N 1.19 4.20 0.02 4.03 0.02 -1.26 -0.93 135.00 142.28 1a34 s PRO 98 Ca -0.06 2.43 0.07 0.00 0.02 0.00 0.00 61.00 63.45 1a34 s PRO 98 Cb -0.19 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 1a34 s PRO 98 CO -0.04 -0.49 -0.19 -0.51 -0.33 0.00 0.00 177.00 175.44 1a34 s LEU 99 N -0.79 2.55 -0.04 -5.54 1.43 -0.84 -2.11 118.68 113.34 1a34 s LEU 99 Ca 0.59 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.24 1a34 s LEU 99 Cb -0.44 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.29 1a34 s LEU 99 CO 0.49 0.28 0.13 -0.36 0.23 0.00 0.00 176.35 177.11 1a34 s PHE 100 N -0.85 -0.10 0.48 0.29 0.08 -1.25 -4.72 117.98 111.91 1a34 s PHE 100 Ca 0.13 0.24 0.13 0.00 0.12 0.00 0.00 56.93 57.56 1a34 s PHE 100 Cb -0.10 0.02 1.14 0.00 -0.57 0.00 0.00 43.02 43.51 1a34 s PHE 100 CO 0.04 -0.11 2.11 0.87 -0.10 0.00 0.00 175.22 178.03 1a34 h LYS 101 N 5.59 0.18 -0.00 0.44 1.57 -1.98 -2.04 116.57 120.33 1a34 h LYS 101 Ca -0.26 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1a34 h LYS 101 Cb 1.20 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1a34 h LYS 101 CO 0.42 0.12 -0.17 0.25 -0.57 0.00 0.00 179.45 179.50 1a34 n THR 102 N -4.51 0.00 0.00 -0.16 -2.24 -1.26 -4.92 114.28 101.19 1a34 n THR 102 Ca -0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1a34 n THR 102 Cb 0.10 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1a34 n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a34 n GLY 103 N 1.39 3.22 3.79 3.38 0.00 -0.77 -5.15 105.19 111.06 1a34 n GLY 103 Ca 0.10 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1a34 n GLY 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a34 s ASP 104 N 0.00 6.55 0.56 1.61 1.01 -1.23 -3.95 116.67 121.21 1a34 s ASP 104 Ca 0.00 1.94 -0.04 0.00 0.71 0.00 0.00 52.55 55.16 1a34 s ASP 104 Cb 0.00 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1a34 s ASP 104 CO 0.00 -0.64 0.84 -0.94 0.21 0.00 0.00 175.17 174.64 1a34 s SER 105 N -1.86 5.59 -0.05 0.27 1.04 -0.90 -4.93 113.70 112.86 1a34 s SER 105 Ca 0.63 0.54 0.07 0.00 0.48 0.00 0.00 55.95 57.68 1a34 s SER 105 Cb -0.17 -1.57 0.11 0.00 0.10 0.00 0.00 66.02 64.49 1a34 s SER 105 CO 0.22 -1.01 1.06 0.35 0.98 0.00 0.00 173.24 174.84 1a34 n THR 106 N -2.46 1.35 -2.39 2.02 -2.24 -1.26 -4.75 114.28 104.55 1a34 n THR 106 Ca 0.04 -1.50 -0.39 0.00 -2.27 0.00 0.00 64.05 59.94 1a34 n THR 106 Cb 0.58 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 1a34 n THR 106 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1a34 s GLU 107 N -1.74 4.33 -0.58 -0.78 8.01 -1.26 -5.00 118.70 121.69 1a34 s GLU 107 Ca 0.13 1.81 0.06 0.00 0.01 0.00 0.00 54.97 56.97 1a34 s GLU 107 Cb 0.11 -2.89 0.22 0.00 -4.31 0.00 0.00 34.13 27.25 1a34 s GLU 107 CO 0.01 -0.07 0.58 0.39 0.01 0.00 0.00 175.26 176.18 1a34 n GLU 108 N 0.56 1.65 -1.70 1.61 -0.58 -1.26 -4.20 120.64 116.71 1a34 n GLU 108 Ca 0.02 -4.13 -0.43 0.00 -0.42 0.00 0.00 57.16 52.20 1a34 n GLU 108 Cb 0.46 -1.98 -0.03 0.00 -0.57 0.00 0.00 31.44 29.31 1a34 n GLU 108 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1a34 n PHE 109 N 1.55 2.66 -4.13 -0.32 3.72 -0.77 -4.72 117.46 115.45 1a34 n PHE 109 Ca 0.25 -0.02 -0.15 0.00 -0.05 0.00 0.00 57.45 57.49 1a34 n PHE 109 Cb 0.43 -2.69 -0.14 0.00 -0.94 0.00 0.00 39.48 36.14 1a34 n PHE 109 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1a34 s GLU 110 N 1.80 0.42 -0.01 -1.08 2.12 -1.26 -0.60 118.70 120.09 1a34 s GLU 110 Ca 0.78 -0.28 0.06 0.00 0.36 0.00 0.00 54.97 55.90 1a34 s GLU 110 Cb -0.51 -0.37 -0.02 0.00 0.26 0.00 0.00 34.13 33.49 1a34 s GLU 110 CO 0.35 0.10 -0.20 0.20 -0.54 0.00 0.00 175.26 175.16 1a34 s GLY 111 N -0.37 0.99 0.05 -1.50 0.00 -0.68 -4.96 107.32 100.85 1a34 s GLY 111 Ca -0.00 -0.88 0.05 0.00 0.00 0.00 0.00 44.72 43.89 1a34 s GLY 111 CO -0.00 -0.74 -0.15 0.50 0.00 0.00 0.00 173.10 172.71 1a34 s ARG 112 N -0.53 0.94 0.55 2.90 0.52 -1.26 -1.57 118.95 120.50 1a34 s ARG 112 Ca 0.08 -0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 54.30 1a34 s ARG 112 Cb -0.08 -0.96 -0.06 0.00 0.52 0.00 0.00 34.95 34.37 1a34 s ARG 112 CO -0.01 0.23 1.01 0.00 0.02 0.00 0.00 175.30 176.55 1a34 s ALA 113 N -0.96 3.00 -1.32 2.13 0.00 -0.05 -4.78 121.76 119.77 1a34 s ALA 113 Ca 0.01 0.18 0.12 0.00 0.00 0.00 0.00 51.96 52.27 1a34 s ALA 113 Cb -0.08 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 19.96 1a34 s ALA 113 CO 0.02 -0.43 0.81 0.43 0.00 0.00 0.00 175.76 176.59 1a34 n SER 114 N -1.86 1.76 -3.88 0.00 7.64 -1.26 -4.71 113.62 111.30 1a34 n SER 114 Ca 0.07 -1.38 -0.22 0.00 1.01 0.00 0.00 58.87 58.35 1a34 n SER 114 Cb 0.54 0.15 -0.17 0.00 -1.01 0.00 0.00 64.21 63.72 1a34 n SER 114 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1a34 s ASN 115 N -1.12 1.27 0.65 6.43 3.84 -1.26 -5.04 114.94 119.70 1a34 s ASN 115 Ca 0.12 -0.15 0.39 0.00 0.21 0.00 0.00 52.86 53.43 1a34 s ASN 115 Cb 0.09 -0.52 2.18 0.00 -0.55 0.00 0.00 41.25 42.45 1a34 s ASN 115 CO 0.19 -0.08 2.28 0.16 -2.79 0.00 0.00 177.10 176.85 1a34 h ILE 116 N 6.16 0.12 -0.25 -5.21 3.07 -1.90 -1.70 117.51 117.81 1a34 h ILE 116 Ca -0.33 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.08 1a34 h ILE 116 Cb 1.15 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 1a34 h ILE 116 CO 0.42 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 178.11 1a34 n ASN 117 N -3.24 2.13 -4.56 2.16 3.02 -1.26 -4.74 115.26 108.78 1a34 n ASN 117 Ca -0.02 -1.81 -0.28 0.00 -0.03 0.00 0.00 54.58 52.43 1a34 n ASN 117 Cb 0.13 -0.16 -0.10 0.00 -0.61 0.00 0.00 39.78 39.05 1a34 n ASN 117 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1a34 s THR 118 N -1.68 3.21 0.45 3.41 -4.23 -0.64 -5.11 115.64 111.05 1a34 s THR 118 Ca 0.33 -1.48 -0.23 0.00 -1.18 0.00 0.00 61.69 59.13 1a34 s THR 118 Cb 0.18 -2.54 -0.08 0.00 1.34 0.00 0.00 72.50 71.41 1a34 s THR 118 CO 0.26 0.01 1.15 -0.13 -0.54 0.00 0.00 174.62 175.37 1a34 s ARG 119 N -2.48 3.80 0.14 3.99 0.52 -1.26 -4.63 118.95 119.03 1a34 s ARG 119 Ca 0.22 1.73 -0.05 0.00 -0.52 0.00 0.00 55.73 57.11 1a34 s ARG 119 Cb -0.10 -2.41 -0.06 0.00 0.52 0.00 0.00 34.95 32.91 1a34 s ARG 119 CO 0.14 -0.50 0.39 0.00 0.02 0.00 0.00 175.30 175.34 1a34 s ALA 120 N -1.58 3.78 0.06 2.13 0.00 -1.26 -4.59 121.76 120.29 1a34 s ALA 120 Ca 0.63 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.93 1a34 s ALA 120 Cb -0.27 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 20.71 1a34 s ALA 120 CO 0.33 0.66 0.29 -1.54 0.00 0.00 0.00 175.76 175.50 1a34 s SER 121 N -2.37 -0.09 0.01 0.00 1.04 -1.26 -1.49 113.70 109.54 1a34 s SER 121 Ca 0.41 -0.28 -0.28 0.00 0.48 0.00 0.00 55.95 56.28 1a34 s SER 121 Cb -0.12 0.36 0.10 0.00 0.10 0.00 0.00 66.02 66.46 1a34 s SER 121 CO 0.24 -0.65 0.89 0.54 0.98 0.00 0.00 173.24 175.24 1a34 s VAL 122 N -2.85 0.00 0.28 5.02 0.11 -0.86 -4.06 120.40 118.04 1a34 s VAL 122 Ca -0.03 -0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 58.78 1a34 s VAL 122 Cb 0.00 -1.11 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 1a34 s VAL 122 CO -0.05 0.00 0.64 -0.83 -3.33 0.00 0.00 175.10 171.53 1a34 s GLY 123 N -2.54 0.20 -0.00 6.54 0.00 -1.26 -0.58 107.32 109.68 1a34 s GLY 123 Ca 0.06 -0.57 -0.12 0.00 0.00 0.00 0.00 44.72 44.09 1a34 s GLY 123 CO -0.08 -0.31 0.24 -2.52 0.00 0.00 0.00 173.10 170.44 1a34 s TYR 124 N -3.77 -0.09 -0.08 1.90 -0.85 -0.23 -4.99 117.35 109.24 1a34 s TYR 124 Ca 0.16 0.09 -0.01 0.00 -0.52 0.00 0.00 57.07 56.78 1a34 s TYR 124 Cb -0.04 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.31 1a34 s TYR 124 CO 0.08 -0.36 -0.02 0.50 -1.52 0.00 0.00 175.55 174.24 1a34 s ARG 125 N -1.44 2.91 -0.18 -3.49 3.52 -1.26 -1.44 118.95 117.56 1a34 s ARG 125 Ca -0.13 -0.45 -0.15 0.00 -0.13 0.00 0.00 55.73 54.86 1a34 s ARG 125 Cb -0.06 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 1a34 s ARG 125 CO 0.03 0.69 0.37 0.42 -0.81 0.00 0.00 175.30 176.00 1a34 s ILE 126 N -0.87 5.23 0.71 4.11 1.01 -0.46 -5.00 121.20 125.93 1a34 s ILE 126 Ca 0.13 0.68 -0.13 0.00 0.00 0.00 0.00 60.65 61.33 1a34 s ILE 126 Cb -0.11 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.68 1a34 s ILE 126 CO 0.02 0.29 1.10 -2.16 0.00 0.00 0.00 174.94 174.19 1a34 s PRO 127 N 1.03 2.57 0.28 2.79 0.04 -1.26 -4.87 135.00 135.59 1a34 s PRO 127 Ca 0.19 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.50 1a34 s PRO 127 Cb -0.14 -1.93 0.66 0.00 0.04 0.00 0.00 34.50 33.12 1a34 s PRO 127 CO 0.07 -1.41 1.72 1.15 0.04 0.00 0.00 177.00 178.57 1a34 h THR 128 N -0.54 0.55 0.00 1.26 2.02 -1.97 -0.61 112.91 113.62 1a34 h THR 128 Ca -0.45 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1a34 h THR 128 Cb 1.24 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1a34 h THR 128 CO 0.53 0.08 0.00 -0.55 0.37 0.00 0.00 175.52 175.95 1a34 h ASN 129 N 0.46 0.00 -0.44 4.18 -1.07 -2.04 -2.16 115.58 114.50 1a34 h ASN 129 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.89 1a34 h ASN 129 Cb 0.92 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.17 1a34 h ASN 129 CO -0.48 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.20 1a34 n LEU 130 N -2.84 3.21 -3.85 6.14 4.77 -0.25 -4.82 117.00 119.36 1a34 n LEU 130 Ca -0.01 -2.02 -0.42 0.00 -0.03 0.00 0.00 56.01 53.52 1a34 n LEU 130 Cb 0.14 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1a34 n LEU 130 CO 0.20 0.79 1.96 0.54 -1.33 0.00 0.00 177.39 179.56 1a34 n ARG 131 N 0.78 3.63 -3.31 3.23 1.74 -0.81 -4.93 116.66 116.98 1a34 n ARG 131 Ca 0.15 -3.52 -0.21 0.00 -0.77 0.00 0.00 57.85 53.50 1a34 n ARG 131 Cb 0.48 -2.92 0.02 0.00 -1.02 0.00 0.00 32.46 29.03 1a34 n ARG 131 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1a34 s GLN 132 N 0.36 2.42 0.58 5.56 1.11 -1.26 -4.98 119.66 123.45 1a34 s GLN 132 Ca 0.40 -1.65 -0.15 0.00 0.01 0.00 0.00 55.36 53.97 1a34 s GLN 132 Cb 0.10 -2.49 -0.04 0.00 -1.01 0.00 0.00 33.01 29.56 1a34 s GLN 132 CO 0.00 -0.60 1.04 -0.80 0.01 0.00 0.00 175.29 174.94 1a34 s ASN 133 N -4.44 6.00 0.09 5.90 0.01 -1.26 -4.52 114.94 116.72 1a34 s ASN 133 Ca 0.52 1.71 0.05 0.00 -0.71 0.00 0.00 52.86 54.43 1a34 s ASN 133 Cb -0.05 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 1a34 s ASN 133 CO 0.32 -1.01 -0.13 0.42 -1.51 0.00 0.00 177.10 175.18 1a34 s THR 134 N -2.60 1.12 0.46 1.60 -4.23 -0.36 -4.95 115.64 106.68 1a34 s THR 134 Ca 0.61 -1.45 0.05 0.00 -1.18 0.00 0.00 61.69 59.72 1a34 s THR 134 Cb -0.14 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 1a34 s THR 134 CO 0.38 -0.33 0.06 0.68 -0.54 0.00 0.00 174.62 174.87 1a34 s VAL 135 N -1.66 1.71 0.31 2.29 -7.23 -1.26 -2.07 120.40 112.49 1a34 s VAL 135 Ca 0.02 -1.92 0.09 0.00 -1.81 0.00 0.00 61.98 58.35 1a34 s VAL 135 Cb -0.08 -2.63 0.31 0.00 0.56 0.00 0.00 36.38 34.54 1a34 s VAL 135 CO 0.02 0.00 1.69 0.00 -0.31 0.00 0.00 175.10 176.50 1a34 h ALA 136 N 1.50 1.68 0.00 1.32 0.00 -1.87 -1.22 119.26 120.67 1a34 h ALA 136 Ca -0.43 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1a34 h ALA 136 Cb 1.27 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1a34 h ALA 136 CO 0.75 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1a34 n ALA 137 N -2.41 1.88 -1.81 0.00 0.00 -1.26 -2.04 120.51 114.87 1a34 n ALA 137 Ca 0.27 0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 1a34 n ALA 137 Cb 0.79 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.86 1a34 n ALA 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a34 s ASP 138 N -4.35 5.65 0.09 0.00 1.01 -0.46 -4.91 116.67 113.70 1a34 s ASP 138 Ca 0.06 1.32 0.07 0.00 0.71 0.00 0.00 52.55 54.71 1a34 s ASP 138 Cb 0.10 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 1a34 s ASP 138 CO 0.47 -1.23 -0.13 0.20 0.21 0.00 0.00 175.17 174.68 1a34 s ASN 139 N -4.18 4.17 -0.20 0.27 0.01 -1.26 -0.92 114.94 112.83 1a34 s ASN 139 Ca 0.57 -0.42 -0.20 0.00 -0.71 0.00 0.00 52.86 52.10 1a34 s ASN 139 Cb -0.12 -0.74 -0.17 0.00 0.41 0.00 0.00 41.25 40.63 1a34 s ASN 139 CO 0.53 0.20 0.19 0.58 -1.51 0.00 0.00 177.10 177.09 1a34 h VAL 140 N 3.50 0.83 -2.72 1.60 2.07 -1.10 -3.44 116.25 117.00 1a34 h VAL 140 Ca -0.49 -2.03 0.10 0.00 0.82 0.00 0.00 66.70 65.10 1a34 h VAL 140 Cb 1.16 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.87 1a34 h VAL 140 CO 0.50 0.28 0.37 0.00 0.02 0.00 0.00 177.57 178.74 1a34 s GLU 142 N -3.13 3.36 -0.06 0.00 2.02 -0.10 -0.93 118.70 119.86 1a34 s GLU 142 Ca 0.14 -0.46 0.05 0.00 0.02 0.00 0.00 54.97 54.72 1a34 s GLU 142 Cb -0.04 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 1a34 s GLU 142 CO 0.06 0.47 -0.19 0.08 0.02 0.00 0.00 175.26 175.70 1a34 s VAL 143 N -0.23 2.62 -0.01 2.63 1.01 0.03 -1.20 120.40 125.24 1a34 s VAL 143 Ca 0.05 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1a34 s VAL 143 Cb -0.13 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1a34 s VAL 143 CO 0.02 0.58 -0.09 -0.13 0.00 0.00 0.00 175.10 175.48 1a34 s ARG 144 N -0.43 0.74 0.08 2.72 0.52 -0.83 -1.22 118.95 120.54 1a34 s ARG 144 Ca 0.05 -0.32 -0.26 0.00 -0.52 0.00 0.00 55.73 54.68 1a34 s ARG 144 Cb -0.12 -0.72 0.08 0.00 0.52 0.00 0.00 34.95 34.72 1a34 s ARG 144 CO 0.02 0.19 0.72 0.45 0.02 0.00 0.00 175.30 176.69 1a34 s SER 145 N -0.18 -0.50 0.00 0.23 0.15 -1.26 -0.83 113.70 111.31 1a34 s SER 145 Ca 0.03 0.06 0.27 0.00 0.70 0.00 0.00 55.95 57.01 1a34 s SER 145 Cb -0.04 0.51 0.94 0.00 -1.71 0.00 0.00 66.02 65.72 1a34 s SER 145 CO -0.00 -0.80 1.68 -0.46 1.20 0.00 0.00 173.24 174.86 1a34 n ASN 146 N -0.21 1.67 -4.84 5.45 6.94 -1.24 -4.57 115.26 118.45 1a34 n ASN 146 Ca -0.14 -1.54 -0.33 0.00 -0.02 0.00 0.00 54.58 52.55 1a34 n ASN 146 Cb 0.63 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 38.00 1a34 n ASN 146 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1a34 n ARG 148 N 0.95 0.06 -3.87 0.00 1.74 -1.26 -4.64 116.66 109.65 1a34 n ARG 148 Ca -0.11 0.16 -0.12 0.00 -0.77 0.00 0.00 57.85 57.02 1a34 n ARG 148 Cb 0.52 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.25 1a34 n ARG 148 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1a34 s GLN 149 N -3.05 0.17 -0.04 5.56 -0.21 -1.26 -0.97 119.66 119.85 1a34 s GLN 149 Ca 0.10 -0.06 0.04 0.00 0.02 0.00 0.00 55.36 55.46 1a34 s GLN 149 Cb 0.14 0.07 0.00 0.00 1.00 0.00 0.00 33.01 34.22 1a34 s GLN 149 CO 0.43 -0.03 -0.15 0.08 -2.12 0.00 0.00 175.29 173.51 1a34 s VAL 150 N -0.34 1.26 -0.22 1.09 1.01 -0.49 -1.22 120.40 121.49 1a34 s VAL 150 Ca -0.04 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 1a34 s VAL 150 Cb -0.03 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1a34 s VAL 150 CO 0.00 0.37 0.13 0.00 0.00 0.00 0.00 175.10 175.60 1a34 s ALA 151 N 0.17 3.55 0.08 5.51 0.00 0.12 -1.26 121.76 129.93 1a34 s ALA 151 Ca -0.06 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.13 1a34 s ALA 151 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1a34 s ALA 151 CO 0.02 -0.07 -0.11 -0.51 0.00 0.00 0.00 175.76 175.09 1a34 s LEU 152 N 0.83 3.00 -0.19 0.00 1.43 0.28 -0.29 118.68 123.73 1a34 s LEU 152 Ca 0.07 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1a34 s LEU 152 Cb -0.13 -1.78 0.05 0.00 0.03 0.00 0.00 46.19 44.36 1a34 s LEU 152 CO 0.02 0.21 -0.02 -0.69 0.23 0.00 0.00 176.35 176.10 1a34 s VAL 153 N -1.14 1.01 -0.20 -1.59 1.01 -0.31 -1.67 120.40 117.52 1a34 s VAL 153 Ca 0.20 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1a34 s VAL 153 Cb -0.11 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1a34 s VAL 153 CO 0.11 -0.02 -0.01 -0.63 0.00 0.00 0.00 175.10 174.55 1a34 s ILE 154 N 1.65 3.87 -0.18 2.22 1.01 -0.20 -1.80 121.20 127.77 1a34 s ILE 154 Ca -0.01 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.10 1a34 s ILE 154 Cb -0.17 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 1a34 s ILE 154 CO -0.07 0.44 0.56 -0.44 0.00 0.00 0.00 174.94 175.42 1a34 s SER 155 N 0.96 6.64 0.27 3.58 0.01 -0.55 -0.81 113.70 123.79 1a34 s SER 155 Ca 0.01 0.77 -0.14 0.00 1.31 0.00 0.00 55.95 57.89 1a34 s SER 155 Cb -0.14 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1a34 s SER 155 CO 0.02 -0.18 0.55 0.00 0.41 0.00 0.00 173.24 174.03 1a34 s PHE 158 N 1.10 3.83 0.00 0.00 0.08 -0.07 -0.83 117.98 122.08 1a34 s PHE 158 Ca -0.05 1.80 0.00 0.00 0.12 0.00 0.00 56.93 58.80 1a34 s PHE 158 Cb -0.20 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.17 1a34 s PHE 158 CO -0.06 0.11 0.00 0.27 -0.10 0.00 0.00 175.22 175.44