#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a14 s VAL 2 N 0.00 4.57 -0.06 -0.39 1.01 -1.26 -3.70 120.40 120.57 1a14 s VAL 2 Ca 0.00 1.23 -0.11 0.00 0.00 0.00 0.00 61.98 63.10 1a14 s VAL 2 Cb 0.00 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1a14 s VAL 2 CO 0.00 0.10 0.28 -1.10 0.00 0.00 0.00 175.10 174.37 1a14 s GLN 3 N -2.25 0.48 -0.50 2.72 -0.21 0.68 -4.94 119.66 115.64 1a14 s GLN 3 Ca 0.46 0.08 0.03 0.00 0.02 0.00 0.00 55.36 55.96 1a14 s GLN 3 Cb -0.15 0.22 0.14 0.00 1.00 0.00 0.00 33.01 34.22 1a14 s GLN 3 CO 0.20 -0.10 0.28 -0.51 -2.12 0.00 0.00 175.29 173.04 1a14 s LEU 4 N -0.58 3.47 -0.76 2.90 1.43 -1.26 -2.85 118.68 121.02 1a14 s LEU 4 Ca -0.07 -2.93 -0.27 0.00 -1.03 0.00 0.00 54.13 49.83 1a14 s LEU 4 Cb -0.04 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 44.92 1a14 s LEU 4 CO 0.02 -0.23 1.33 -1.10 0.23 0.00 0.00 176.35 176.60 1a14 s GLN 5 N -0.11 3.20 0.81 1.70 1.11 -0.56 -4.18 119.66 121.63 1a14 s GLN 5 Ca 0.19 -0.29 -0.10 0.00 0.01 0.00 0.00 55.36 55.17 1a14 s GLN 5 Cb -0.21 -4.31 0.12 0.00 -1.01 0.00 0.00 33.01 27.60 1a14 s GLN 5 CO -0.03 -2.19 1.15 -0.65 0.01 0.00 0.00 175.29 173.58 1a14 s GLN 6 N 5.74 1.56 0.34 2.91 -0.21 -1.26 -0.13 119.66 128.60 1a14 s GLN 6 Ca 0.38 -0.35 -0.04 0.00 0.02 0.00 0.00 55.36 55.37 1a14 s GLN 6 Cb -0.07 -2.04 0.08 0.00 1.00 0.00 0.00 33.01 31.97 1a14 s GLN 6 CO 0.13 -1.73 0.47 -1.13 -2.12 0.00 0.00 175.29 170.90 1a14 n SER 7 N -3.27 0.25 -4.97 5.90 3.41 -0.94 -4.91 113.62 109.08 1a14 n SER 7 Ca 0.11 -1.30 -0.21 0.00 -0.26 0.00 0.00 58.87 57.21 1a14 n SER 7 Cb 0.60 -0.34 0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1a14 n SER 7 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1a14 s GLY 8 N -3.86 1.82 0.97 5.00 0.00 -1.26 -4.68 107.32 105.31 1a14 s GLY 8 Ca 0.28 -1.32 -0.13 0.00 0.00 0.00 0.00 44.72 43.55 1a14 s GLY 8 CO 0.19 -1.04 0.54 0.00 0.00 0.00 0.00 173.10 172.79 1a14 n ALA 9 N -2.33 -2.42 -2.90 3.20 0.00 -1.26 -4.79 120.51 110.01 1a14 n ALA 9 Ca 0.08 -0.69 -0.16 0.00 0.00 0.00 0.00 53.44 52.67 1a14 n ALA 9 Cb 0.60 -1.86 -0.15 0.00 0.00 0.00 0.00 19.45 18.04 1a14 n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1a14 s GLU 10 N -3.85 0.39 -0.06 0.00 0.41 0.18 -4.99 118.70 110.79 1a14 s GLU 10 Ca 0.59 -0.14 0.05 0.00 -0.41 0.00 0.00 54.97 55.06 1a14 s GLU 10 Cb -0.21 -0.40 -0.00 0.00 -1.78 0.00 0.00 34.13 31.74 1a14 s GLU 10 CO 0.65 0.07 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.78 1a14 s LEU 11 N 0.04 1.98 -0.06 1.80 1.43 -1.26 -0.32 118.68 122.29 1a14 s LEU 11 Ca -0.00 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.35 1a14 s LEU 11 Cb -0.04 -1.17 0.11 0.00 0.03 0.00 0.00 46.19 45.13 1a14 s LEU 11 CO -0.00 0.18 1.08 0.54 0.23 0.00 0.00 176.35 178.38 1a14 s VAL 12 N 0.03 0.00 0.56 -1.59 0.11 -0.40 -4.96 120.40 114.15 1a14 s VAL 12 Ca -0.06 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1a14 s VAL 12 Cb -0.13 -1.26 0.03 0.00 -1.53 0.00 0.00 36.38 33.48 1a14 s VAL 12 CO 0.04 0.00 0.80 -0.54 -3.33 0.00 0.00 175.10 172.07 1a14 s LYS 13 N -2.76 2.64 1.14 1.54 3.01 -1.26 -4.07 119.74 119.98 1a14 s LYS 13 Ca 0.09 -0.57 -0.14 0.00 -1.01 0.00 0.00 55.97 54.34 1a14 s LYS 13 Cb -0.00 -2.44 0.23 0.00 -1.01 0.00 0.00 37.83 34.62 1a14 s LYS 13 CO -0.05 -0.70 0.79 -2.30 0.51 0.00 0.00 175.35 173.60 1a14 n PRO 14 N -2.40 -2.10 0.00 -1.68 -0.02 -1.26 -3.54 135.00 124.00 1a14 n PRO 14 Ca 0.06 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.96 1a14 n PRO 14 Cb 0.59 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1a14 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a14 n GLY 15 N 1.20 0.77 0.00 -1.23 0.00 -0.21 -4.77 105.19 100.96 1a14 n GLY 15 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1a14 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a14 n ALA 16 N 0.74 0.00 -3.15 4.61 0.00 -1.23 -3.89 120.51 117.59 1a14 n ALA 16 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1a14 n ALA 16 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a14 n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1a14 s SER 17 N -1.44 -1.23 0.39 0.00 0.01 -1.26 0.10 113.70 110.28 1a14 s SER 17 Ca 0.00 0.27 -0.10 0.00 1.31 0.00 0.00 55.95 57.43 1a14 s SER 17 Cb 0.00 1.83 -0.06 0.00 0.21 0.00 0.00 66.02 68.00 1a14 s SER 17 CO 0.00 -0.23 0.75 0.54 0.41 0.00 0.00 173.24 174.71 1a14 s VAL 18 N 2.87 4.80 -0.30 3.43 0.11 -1.14 -4.91 120.40 125.26 1a14 s VAL 18 Ca 0.15 0.59 -0.02 0.00 -2.93 0.00 0.00 61.98 59.76 1a14 s VAL 18 Cb -0.09 -3.73 0.10 0.00 -1.53 0.00 0.00 36.38 31.14 1a14 s VAL 18 CO -0.23 -0.49 0.12 -0.60 -3.33 0.00 0.00 175.10 170.57 1a14 s ARG 19 N -3.79 0.45 0.78 1.54 3.00 -1.26 -2.00 118.95 117.67 1a14 s ARG 19 Ca 0.51 -0.82 -0.11 0.00 -1.00 0.00 0.00 55.73 54.30 1a14 s ARG 19 Cb -0.10 -1.55 0.06 0.00 0.00 0.00 0.00 34.95 33.35 1a14 s ARG 19 CO 0.31 -1.01 1.08 -1.64 0.00 0.00 0.00 175.30 174.04 1a14 s MET 20 N 1.82 2.22 0.13 5.12 -1.94 0.21 -4.80 119.30 122.06 1a14 s MET 20 Ca 0.10 0.96 0.06 0.00 -1.71 0.00 0.00 55.69 55.10 1a14 s MET 20 Cb -0.17 -1.91 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 1a14 s MET 20 CO -0.30 -1.61 -0.14 -1.54 -0.01 0.00 0.00 175.02 171.42 1a14 s SER 21 N -3.59 2.08 -0.25 3.03 1.04 -1.26 -1.30 113.70 113.44 1a14 s SER 21 Ca 0.61 -0.82 -0.02 0.00 0.48 0.00 0.00 55.95 56.19 1a14 s SER 21 Cb -0.16 -0.08 0.12 0.00 0.10 0.00 0.00 66.02 66.00 1a14 s SER 21 CO 0.56 -0.14 0.28 0.00 0.98 0.00 0.00 173.24 174.92 1a14 s LYS 23 N 2.38 4.05 0.49 0.00 2.20 0.81 -0.05 119.74 129.62 1a14 s LYS 23 Ca 0.09 0.15 -0.16 0.00 -0.36 0.00 0.00 55.97 55.69 1a14 s LYS 23 Cb -0.15 -3.65 -0.08 0.00 -1.51 0.00 0.00 37.83 32.45 1a14 s LYS 23 CO -0.23 -0.29 0.96 0.00 -0.36 0.00 0.00 175.35 175.43 1a14 s ALA 24 N 2.11 3.10 -0.28 3.13 0.00 0.58 -1.49 121.76 128.91 1a14 s ALA 24 Ca 0.17 0.15 -0.26 0.00 0.00 0.00 0.00 51.96 52.02 1a14 s ALA 24 Cb -0.16 -3.07 0.17 0.00 0.00 0.00 0.00 23.12 20.07 1a14 s ALA 24 CO 0.09 -0.18 1.31 -1.54 0.00 0.00 0.00 175.76 175.45 1a14 s SER 25 N -3.01 -0.16 0.00 0.00 1.04 -1.13 -4.89 113.70 105.55 1a14 s SER 25 Ca 0.58 0.27 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1a14 s SER 25 Cb -0.10 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1a14 s SER 25 CO 0.30 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1a14 n GLY 26 N 1.43 0.80 3.67 7.32 0.00 -1.24 -0.23 105.19 116.94 1a14 n GLY 26 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 1a14 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a14 s TYR 27 N -2.12 -0.14 -0.83 1.61 1.13 -1.26 -4.24 117.35 111.51 1a14 s TYR 27 Ca 0.00 -0.08 -0.25 0.00 -1.41 0.00 0.00 57.07 55.33 1a14 s TYR 27 Cb 0.00 0.59 0.03 0.00 -1.10 0.00 0.00 41.96 41.48 1a14 s TYR 27 CO 0.00 -0.61 1.44 0.99 -2.51 0.00 0.00 175.55 174.85 1a14 s THR 28 N -3.00 3.73 0.39 -3.49 2.01 -1.26 -4.85 115.64 109.17 1a14 s THR 28 Ca 0.11 -0.04 0.22 0.00 0.31 0.00 0.00 61.69 62.30 1a14 s THR 28 Cb 0.00 -4.81 0.40 0.00 0.01 0.00 0.00 72.50 68.11 1a14 s THR 28 CO -0.01 -1.73 1.65 0.15 -0.69 0.00 0.00 174.62 173.98 1a14 h PHE 29 N 10.54 0.71 0.00 4.92 3.57 -1.96 0.99 116.94 135.71 1a14 h PHE 29 Ca -0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1a14 h PHE 29 Cb 1.05 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1a14 h PHE 29 CO 1.18 -0.20 -0.11 1.15 -2.23 0.00 0.00 178.31 178.09 1a14 h THR 30 N 0.19 0.39 -0.49 4.41 2.02 -1.91 -3.24 112.91 114.27 1a14 h THR 30 Ca 0.77 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1a14 h THR 30 Cb 2.11 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1a14 h THR 30 CO -0.51 0.11 0.00 0.59 0.37 0.00 0.00 175.52 176.08 1a14 n ASN 31 N -3.39 4.16 -3.92 4.18 5.03 0.34 -2.43 115.26 119.22 1a14 n ASN 31 Ca -0.01 -2.48 -0.10 0.00 0.87 0.00 0.00 54.58 52.85 1a14 n ASN 31 Cb 0.29 -0.56 -0.11 0.00 -1.02 0.00 0.00 39.78 38.38 1a14 n ASN 31 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1a14 s TYR 32 N -1.99 0.13 -0.16 3.10 1.51 -1.23 -2.65 117.35 116.06 1a14 s TYR 32 Ca 0.41 -0.28 -0.29 0.00 -1.01 0.00 0.00 57.07 55.90 1a14 s TYR 32 Cb 0.28 -0.11 -0.01 0.00 -0.11 0.00 0.00 41.96 42.02 1a14 s TYR 32 CO 0.17 -0.19 1.15 -0.80 -1.11 0.00 0.00 175.55 174.78 1a14 s ASN 33 N -1.14 7.05 -0.35 2.29 -0.87 -0.91 -4.26 114.94 116.74 1a14 s ASN 33 Ca -0.12 1.60 -0.16 0.00 -1.57 0.00 0.00 52.86 52.61 1a14 s ASN 33 Cb -0.07 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.25 38.60 1a14 s ASN 33 CO -0.00 -0.67 0.37 -0.32 -2.57 0.00 0.00 177.10 173.92 1a14 s MET 34 N 3.01 3.50 0.37 -0.60 1.75 -0.07 -2.03 119.30 125.23 1a14 s MET 34 Ca 0.51 -0.46 0.05 0.00 -1.25 0.00 0.00 55.69 54.54 1a14 s MET 34 Cb -0.20 -3.83 -0.01 0.00 2.84 0.00 0.00 34.83 33.64 1a14 s MET 34 CO 0.14 -0.57 0.53 0.71 -0.65 0.00 0.00 175.02 175.17 1a14 s TYR 35 N 2.04 3.16 -0.07 4.11 2.02 0.02 -1.05 117.35 127.58 1a14 s TYR 35 Ca 0.12 -0.07 -0.03 0.00 -0.37 0.00 0.00 57.07 56.72 1a14 s TYR 35 Cb -0.17 -2.07 0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1a14 s TYR 35 CO 0.12 -0.10 0.06 -1.58 -1.57 0.00 0.00 175.55 172.49 1a14 s TRP 36 N -2.28 0.12 0.21 2.71 0.52 -0.74 -1.84 118.94 117.64 1a14 s TRP 36 Ca 0.45 0.13 0.07 0.00 0.02 0.00 0.00 56.10 56.77 1a14 s TRP 36 Cb -0.10 -0.54 -0.04 0.00 -1.15 0.00 0.00 33.47 31.65 1a14 s TRP 36 CO 0.33 -0.26 0.12 0.08 0.02 0.00 0.00 176.95 177.24 1a14 s VAL 37 N 2.15 4.23 -0.35 4.03 1.01 -0.37 -0.71 120.40 130.39 1a14 s VAL 37 Ca 0.04 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.67 1a14 s VAL 37 Cb -0.13 -3.22 0.11 0.00 0.00 0.00 0.00 36.38 33.14 1a14 s VAL 37 CO -0.04 -0.24 0.11 -0.75 0.00 0.00 0.00 175.10 174.18 1a14 s LYS 38 N -3.44 1.10 -0.52 2.72 2.20 0.12 -1.56 119.74 120.36 1a14 s LYS 38 Ca 0.31 -1.54 -0.25 0.00 -0.36 0.00 0.00 55.97 54.14 1a14 s LYS 38 Cb -0.09 -2.50 0.04 0.00 -1.51 0.00 0.00 37.83 33.77 1a14 s LYS 38 CO 0.23 -1.00 0.95 -1.14 -0.36 0.00 0.00 175.35 174.03 1a14 s GLN 39 N 1.12 3.41 -0.18 4.03 0.74 -1.15 -1.78 119.66 125.85 1a14 s GLN 39 Ca 0.12 -0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.39 1a14 s GLN 39 Cb -0.19 -4.01 -0.03 0.00 1.10 0.00 0.00 33.01 29.88 1a14 s GLN 39 CO -0.15 -1.40 -0.00 0.45 -0.55 0.00 0.00 175.29 173.64 1a14 s SER 40 N 2.64 4.93 -0.58 6.67 0.15 -0.92 -2.53 113.70 124.06 1a14 s SER 40 Ca 0.33 -0.14 -0.26 0.00 0.70 0.00 0.00 55.95 56.58 1a14 s SER 40 Cb -0.11 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.32 1a14 s SER 40 CO 0.22 0.11 2.10 -2.16 1.20 0.00 0.00 173.24 174.71 1a14 s PRO 41 N 0.72 2.38 0.00 5.44 0.04 -1.26 -0.82 135.00 141.49 1a14 s PRO 41 Ca -0.00 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1a14 s PRO 41 Cb -0.14 -4.51 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1a14 s PRO 41 CO 0.02 -3.04 0.00 0.41 0.04 0.00 0.00 177.00 174.43 1a14 n GLY 42 N 5.91 1.01 0.02 0.56 0.00 -1.26 -4.90 105.19 106.53 1a14 n GLY 42 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1a14 n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a14 n GLN 43 N 0.00 2.02 0.00 1.61 1.13 -0.20 -5.12 117.38 116.82 1a14 n GLN 43 Ca 0.00 -1.27 0.00 0.00 -1.94 0.00 0.00 57.00 53.79 1a14 n GLN 43 Cb 0.00 -1.01 0.00 0.00 0.11 0.00 0.00 30.24 29.34 1a14 n GLN 43 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a14 n GLY 44 N -0.34 -0.21 3.63 1.08 0.00 -0.00 -4.48 105.19 104.86 1a14 n GLY 44 Ca 0.00 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 1a14 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a14 s LEU 45 N 0.00 3.90 0.01 0.99 1.43 -1.26 -2.16 118.68 121.58 1a14 s LEU 45 Ca 0.00 1.46 0.06 0.00 -1.03 0.00 0.00 54.13 54.62 1a14 s LEU 45 Cb 0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 1a14 s LEU 45 CO 0.00 -1.17 -0.19 -1.61 0.23 0.00 0.00 176.35 173.61 1a14 s GLU 46 N 4.43 2.17 -0.17 1.70 2.02 -0.74 -4.95 118.70 123.17 1a14 s GLU 46 Ca 0.65 -0.90 -0.15 0.00 0.02 0.00 0.00 54.97 54.58 1a14 s GLU 46 Cb -0.22 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1a14 s GLU 46 CO 0.26 0.56 0.35 -0.46 0.02 0.00 0.00 175.26 176.00 1a14 s TRP 47 N -0.80 3.43 -0.22 1.61 -0.00 -1.26 0.12 118.94 121.81 1a14 s TRP 47 Ca 0.13 0.63 -0.19 0.00 -0.00 0.00 0.00 56.10 56.67 1a14 s TRP 47 Cb -0.10 -2.44 -0.16 0.00 -0.00 0.00 0.00 33.47 30.76 1a14 s TRP 47 CO 0.03 0.13 0.07 -0.89 -0.00 0.00 0.00 176.95 176.29 1a14 n ILE 48 N 3.89 1.53 0.00 5.86 5.41 0.11 -4.33 119.36 131.83 1a14 n ILE 48 Ca -0.10 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1a14 n ILE 48 Cb 0.52 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 1a14 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a14 n GLY 49 N 1.41 -0.82 3.26 7.39 0.00 -1.21 0.16 105.19 115.39 1a14 n GLY 49 Ca -0.34 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.42 1a14 n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1a14 s ILE 50 N -2.00 1.69 -0.04 -0.61 -1.16 0.11 -1.79 121.20 117.40 1a14 s ILE 50 Ca 0.00 -1.25 0.00 0.00 -0.51 0.00 0.00 60.65 58.89 1a14 s ILE 50 Cb 0.00 -1.48 0.02 0.00 0.61 0.00 0.00 42.46 41.62 1a14 s ILE 50 CO 0.00 0.18 -0.02 0.12 -2.81 0.00 0.00 174.94 172.40 1a14 s PHE 51 N -0.85 0.59 -0.30 3.50 2.19 -0.22 -2.28 117.98 120.62 1a14 s PHE 51 Ca 0.07 -0.13 -0.02 0.00 0.33 0.00 0.00 56.93 57.19 1a14 s PHE 51 Cb -0.09 -0.59 0.05 0.00 -1.31 0.00 0.00 43.02 41.07 1a14 s PHE 51 CO 0.02 -0.19 -0.01 -0.47 1.83 0.00 0.00 175.22 176.41 1a14 s TYR 52 N 1.09 3.26 0.32 10.12 5.04 -0.22 -0.89 117.35 136.07 1a14 s TYR 52 Ca -0.09 -1.88 0.10 0.00 -2.44 0.00 0.00 57.07 52.76 1a14 s TYR 52 Cb -0.14 -2.10 0.89 0.00 0.35 0.00 0.00 41.96 40.96 1a14 s TYR 52 CO -0.01 -0.80 1.73 -1.35 -1.34 0.00 0.00 175.55 173.77 1a14 h PRO 52 N 7.99 0.57 -0.70 4.97 0.11 -1.80 0.57 132.00 143.70 1a14 h PRO 52 Ca -0.21 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.99 1a14 h PRO 52 Cb 1.06 -0.13 -0.09 0.00 0.11 0.00 0.00 31.00 31.95 1a14 h PRO 52 CO 0.53 0.37 0.24 0.78 -0.21 0.00 0.00 178.00 179.72 1a14 h GLY 53 N 0.58 1.01 -0.23 -0.55 0.00 -1.77 -3.33 103.07 98.78 1a14 h GLY 53 Ca 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1a14 h GLY 53 CO -0.48 -0.09 -0.12 1.16 0.00 0.00 0.00 176.54 177.01 1a14 n ASN 54 N -5.04 0.21 -0.77 0.19 0.23 -1.07 -5.02 115.26 103.99 1a14 n ASN 54 Ca 0.12 -1.36 -0.10 0.00 -0.53 0.00 0.00 54.58 52.71 1a14 n ASN 54 Cb 0.37 -0.06 -0.04 0.00 -2.08 0.00 0.00 39.78 37.97 1a14 n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a14 n GLY 55 N -0.07 1.13 3.76 4.83 0.00 0.20 -4.96 105.19 110.07 1a14 n GLY 55 Ca 0.00 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 1a14 n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a14 s ASP 56 N -2.72 5.87 0.07 1.61 2.15 -1.17 -4.73 116.67 117.75 1a14 s ASP 56 Ca 0.00 2.46 -0.05 0.00 0.43 0.00 0.00 52.55 55.40 1a14 s ASP 56 Cb 0.00 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 39.99 1a14 s ASP 56 CO 0.00 -1.13 0.08 0.42 -0.17 0.00 0.00 175.17 174.37 1a14 s THR 57 N -1.46 0.18 -0.27 1.71 -4.23 -1.26 -1.05 115.64 109.26 1a14 s THR 57 Ca 0.66 -1.46 -0.24 0.00 -1.18 0.00 0.00 61.69 59.47 1a14 s THR 57 Cb -0.33 -1.37 0.07 0.00 1.34 0.00 0.00 72.50 72.21 1a14 s THR 57 CO 0.39 -0.81 0.71 -0.44 -0.54 0.00 0.00 174.62 173.93 1a14 s SER 58 N -2.81 -0.76 0.01 3.99 0.01 -0.96 -4.98 113.70 108.20 1a14 s SER 58 Ca 0.05 1.44 0.06 0.00 1.31 0.00 0.00 55.95 58.81 1a14 s SER 58 Cb 0.06 1.44 -0.02 0.00 0.21 0.00 0.00 66.02 67.71 1a14 s SER 58 CO -0.10 -0.25 -0.19 -0.31 0.41 0.00 0.00 173.24 172.80 1a14 s TYR 59 N 0.49 1.73 0.02 2.43 1.51 -1.26 0.09 117.35 122.37 1a14 s TYR 59 Ca -0.01 -0.34 -0.34 0.00 -1.01 0.00 0.00 57.07 55.36 1a14 s TYR 59 Cb -0.05 -1.08 -0.13 0.00 -0.11 0.00 0.00 41.96 40.59 1a14 s TYR 59 CO -0.01 0.02 1.72 -1.71 -1.11 0.00 0.00 175.55 174.46 1a14 n ASN 60 N 2.28 3.18 -0.33 2.29 2.85 0.44 -4.78 115.26 121.20 1a14 n ASN 60 Ca -0.16 1.03 0.24 0.00 -0.11 0.00 0.00 54.58 55.58 1a14 n ASN 60 Cb 0.53 -1.38 0.46 0.00 1.24 0.00 0.00 39.78 40.64 1a14 n ASN 60 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1a14 h GLN 61 N 7.52 0.07 -0.57 1.20 4.15 -1.92 -0.93 115.11 124.63 1a14 h GLN 61 Ca -0.47 -0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.06 1a14 h GLN 61 Cb 1.27 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.85 1a14 h GLN 61 CO 0.92 0.05 0.04 -0.22 -1.93 0.00 0.00 178.83 177.68 1a14 h LYS 62 N 0.07 0.15 -0.50 1.69 3.64 -1.94 -1.53 116.57 118.16 1a14 h LYS 62 Ca 0.74 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.11 1a14 h LYS 62 Cb 1.78 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.57 1a14 h LYS 62 CO -0.78 0.10 0.00 1.19 -2.27 0.00 0.00 179.45 177.70 1a14 n PHE 63 N -5.22 0.71 -0.21 1.91 3.01 -0.38 -4.57 117.46 112.71 1a14 n PHE 63 Ca 0.08 -0.32 0.02 0.00 1.01 0.00 0.00 57.45 58.23 1a14 n PHE 63 Cb 0.32 -0.05 0.12 0.00 -0.01 0.00 0.00 39.48 39.86 1a14 n PHE 63 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1a14 h LYS 64 N 2.63 0.25 0.00 -1.08 3.64 -1.02 -0.94 116.57 120.04 1a14 h LYS 64 Ca 0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1a14 h LYS 64 Cb 0.73 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1a14 h LYS 64 CO 0.04 0.16 -0.64 -0.44 -2.27 0.00 0.00 179.45 176.31 1a14 h ASP 65 N 0.26 0.00 0.00 4.20 3.32 -1.81 -3.39 116.42 119.00 1a14 h ASP 65 Ca 0.33 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 1a14 h ASP 65 Cb 0.51 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1a14 h ASP 65 CO -0.43 0.19 -0.27 0.50 -1.72 0.00 0.00 179.24 177.51 1a14 h LYS 66 N 0.00 0.00 -6.82 3.56 1.63 -1.78 -3.48 116.57 109.68 1a14 h LYS 66 Ca -0.03 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 59.28 1a14 h LYS 66 Cb 1.17 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 1a14 h LYS 66 CO 0.02 0.34 0.13 0.00 -3.45 0.00 0.00 179.45 176.49 1a14 s ALA 67 N -2.50 3.30 -0.21 5.00 0.00 -0.39 -4.15 121.76 122.80 1a14 s ALA 67 Ca -0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.78 1a14 s ALA 67 Cb 0.01 -2.78 0.10 0.00 0.00 0.00 0.00 23.12 20.44 1a14 s ALA 67 CO 0.27 0.15 0.25 0.99 0.00 0.00 0.00 175.76 177.42 1a14 s THR 68 N -2.19 -0.38 0.01 0.00 2.01 -0.77 -4.82 115.64 109.50 1a14 s THR 68 Ca 0.54 -0.11 -0.17 0.00 0.31 0.00 0.00 61.69 62.25 1a14 s THR 68 Cb -0.10 -0.71 -0.06 0.00 0.01 0.00 0.00 72.50 71.64 1a14 s THR 68 CO 0.24 -0.19 0.49 -0.76 -0.69 0.00 0.00 174.62 173.71 1a14 s LEU 69 N 2.37 4.46 0.00 4.42 1.02 -1.26 -2.14 118.68 127.55 1a14 s LEU 69 Ca 0.08 1.07 -0.02 0.00 0.02 0.00 0.00 54.13 55.28 1a14 s LEU 69 Cb -0.16 -2.75 0.01 0.00 0.02 0.00 0.00 46.19 43.32 1a14 s LEU 69 CO -0.13 0.24 0.35 0.35 0.02 0.00 0.00 176.35 177.18 1a14 n THR 70 N 2.12 0.00 -3.57 5.49 -2.24 -1.18 -5.05 114.28 109.85 1a14 n THR 70 Ca -0.11 -1.14 -0.06 0.00 -2.27 0.00 0.00 64.05 60.47 1a14 n THR 70 Cb 0.51 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.45 1a14 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a14 s ALA 71 N -2.32 -1.90 -0.32 6.98 0.00 -1.26 -2.06 121.76 120.88 1a14 s ALA 71 Ca 0.19 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1a14 s ALA 71 Cb -0.01 0.29 0.09 0.00 0.00 0.00 0.00 23.12 23.50 1a14 s ALA 71 CO 0.13 -0.74 0.05 0.34 0.00 0.00 0.00 175.76 175.54 1a14 s ASP 72 N -2.50 4.45 0.49 0.00 2.15 0.11 -4.95 116.67 116.42 1a14 s ASP 72 Ca 0.08 -1.88 0.19 0.00 0.43 0.00 0.00 52.55 51.37 1a14 s ASP 72 Cb -0.01 -1.36 1.22 0.00 -0.30 0.00 0.00 42.92 42.48 1a14 s ASP 72 CO -0.06 -0.37 2.05 0.11 -0.17 0.00 0.00 175.17 176.73 1a14 h LYS 73 N 7.79 0.00 0.96 4.34 1.57 -1.96 0.92 116.57 130.19 1a14 h LYS 73 Ca -0.09 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1a14 h LYS 73 Cb 1.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.34 1a14 h LYS 73 CO 0.49 0.13 -0.47 0.77 -0.57 0.00 0.00 179.45 179.81 1a14 h SER 74 N 0.00 -1.12 -0.03 0.86 0.02 -1.95 -3.04 113.55 108.28 1a14 h SER 74 Ca -0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1a14 h SER 74 Cb 0.27 0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1a14 h SER 74 CO 0.02 -0.79 0.00 -1.54 -1.14 0.00 0.00 176.83 173.38 1a14 n SER 75 N -5.53 0.78 -3.21 3.07 3.41 -1.09 -4.90 113.62 106.15 1a14 n SER 75 Ca -0.16 -1.36 -0.20 0.00 -0.26 0.00 0.00 58.87 56.89 1a14 n SER 75 Cb 0.52 -0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.52 1a14 n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a14 n ASN 76 N -0.35 -5.13 -4.01 4.04 5.03 0.20 -4.74 115.26 110.30 1a14 n ASN 76 Ca 0.19 -0.49 -0.23 0.00 0.87 0.00 0.00 54.58 54.92 1a14 n ASN 76 Cb 0.22 -4.51 -0.16 0.00 -1.02 0.00 0.00 39.78 34.31 1a14 n ASN 76 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1a14 s THR 77 N -3.29 1.02 0.11 3.41 -4.23 -0.50 -0.30 115.64 111.86 1a14 s THR 77 Ca 0.42 -0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 60.38 1a14 s THR 77 Cb -0.18 -0.93 -0.06 0.00 1.34 0.00 0.00 72.50 72.66 1a14 s THR 77 CO 0.64 0.32 0.45 0.00 -0.54 0.00 0.00 174.62 175.50 1a14 s ALA 78 N 0.55 3.67 0.23 3.99 0.00 0.93 0.05 121.76 131.18 1a14 s ALA 78 Ca -0.11 -0.30 0.09 0.00 0.00 0.00 0.00 51.96 51.64 1a14 s ALA 78 Cb -0.14 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.58 1a14 s ALA 78 CO 0.03 0.53 -0.16 0.71 0.00 0.00 0.00 175.76 176.86 1a14 s TYR 79 N -1.46 1.91 -0.02 0.00 2.02 -0.87 -0.29 117.35 118.64 1a14 s TYR 79 Ca 0.36 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.56 1a14 s TYR 79 Cb -0.14 -0.86 0.01 0.00 -0.40 0.00 0.00 41.96 40.57 1a14 s TYR 79 CO 0.19 0.48 0.04 1.41 -1.57 0.00 0.00 175.55 176.10 1a14 s MET 80 N -3.57 0.03 -0.13 -0.62 1.75 -0.42 -3.09 119.30 113.25 1a14 s MET 80 Ca 0.25 0.10 -0.04 0.00 -1.25 0.00 0.00 55.69 54.75 1a14 s MET 80 Cb -0.02 -0.04 0.05 0.00 2.84 0.00 0.00 34.83 37.65 1a14 s MET 80 CO 0.10 -0.05 0.06 -1.14 -0.65 0.00 0.00 175.02 173.34 1a14 s GLN 81 N 0.29 0.19 0.60 4.11 0.74 -0.91 0.64 119.66 125.32 1a14 s GLN 81 Ca -0.02 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.38 1a14 s GLN 81 Cb -0.03 -1.47 0.12 0.00 1.10 0.00 0.00 33.01 32.72 1a14 s GLN 81 CO -0.01 -0.54 0.82 1.28 -0.55 0.00 0.00 175.29 176.29 1a14 n LEU 82 N 5.23 0.00 -1.96 3.68 4.77 -0.85 -1.84 117.00 126.03 1a14 n LEU 82 Ca -0.06 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 1a14 n LEU 82 Cb 0.49 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1a14 n LEU 82 CO 0.10 -0.90 0.00 -1.20 -1.33 0.00 0.00 177.39 174.06 1a14 n SER 82 N -2.91 0.00 -4.30 -1.43 7.64 0.28 -2.86 113.62 110.04 1a14 n SER 82 Ca 0.14 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.66 1a14 n SER 82 Cb 0.49 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.75 1a14 n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1a14 n LEU 82 N -0.63 -1.90 -3.78 -3.43 7.99 -0.87 -4.27 117.00 110.10 1a14 n LEU 82 Ca 0.00 0.45 -0.09 0.00 -0.01 0.00 0.00 56.01 56.35 1a14 n LEU 82 Cb 0.00 -1.03 -0.04 0.00 -0.11 0.00 0.00 43.42 42.23 1a14 n LEU 82 CO 0.00 -4.26 0.25 0.42 -1.51 0.00 0.00 177.39 172.29 1a14 s THR 83 N -2.04 0.03 0.61 -5.08 -4.23 -1.26 -1.04 115.64 102.61 1a14 s THR 83 Ca 0.56 -0.89 0.32 0.00 -1.18 0.00 0.00 61.69 60.50 1a14 s THR 83 Cb -0.30 -1.67 0.37 0.00 1.34 0.00 0.00 72.50 72.24 1a14 s THR 83 CO 0.68 -0.12 2.24 0.77 -0.54 0.00 0.00 174.62 177.64 1a14 h SER 84 N 2.22 0.00 0.43 3.99 4.64 -1.96 -0.67 113.55 122.20 1a14 h SER 84 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1a14 h SER 84 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1a14 h SER 84 CO 0.37 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.71 1a14 n GLU 85 N -3.69 0.33 -0.42 4.77 4.71 -1.26 -1.66 120.64 123.42 1a14 n GLU 85 Ca -0.02 0.07 0.08 0.00 -0.01 0.00 0.00 57.16 57.28 1a14 n GLU 85 Cb 0.14 -1.50 0.25 0.00 -1.01 0.00 0.00 31.44 29.32 1a14 n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1a14 n ASP 86 N -1.28 3.81 -4.70 1.62 8.00 -0.26 -4.94 116.55 118.81 1a14 n ASP 86 Ca 0.11 -2.92 -0.40 0.00 0.71 0.00 0.00 54.79 52.29 1a14 n ASP 86 Cb 0.18 -0.52 -0.05 0.00 -0.02 0.00 0.00 41.12 40.72 1a14 n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1a14 s SER 87 N -1.84 6.83 0.00 -2.24 0.01 -0.66 -4.79 113.70 111.01 1a14 s SER 87 Ca 0.40 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.66 1a14 s SER 87 Cb 0.32 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1a14 s SER 87 CO 0.10 -0.16 0.00 0.00 0.41 0.00 0.00 173.24 173.58 1a14 n ALA 88 N 4.27 0.00 -3.17 1.44 0.00 -0.63 -4.77 120.51 117.64 1a14 n ALA 88 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.98 1a14 n ALA 88 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 1a14 n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a14 s VAL 89 N -2.40 4.96 -0.26 0.00 1.01 -1.05 -0.45 120.40 122.21 1a14 s VAL 89 Ca 0.00 -1.36 -0.27 0.00 0.00 0.00 0.00 61.98 60.35 1a14 s VAL 89 Cb 0.00 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1a14 s VAL 89 CO 0.00 -0.70 0.95 -0.31 0.00 0.00 0.00 175.10 175.04 1a14 s TYR 90 N 1.56 3.28 0.17 5.22 1.51 -0.88 -2.91 117.35 125.30 1a14 s TYR 90 Ca 0.04 1.24 0.05 0.00 -1.01 0.00 0.00 57.07 57.39 1a14 s TYR 90 Cb -0.26 -3.27 -0.04 0.00 -0.11 0.00 0.00 41.96 38.28 1a14 s TYR 90 CO 0.04 -0.52 0.17 0.71 -1.11 0.00 0.00 175.55 174.84 1a14 s TYR 91 N 3.14 3.22 -0.06 2.71 2.02 -0.60 -0.95 117.35 126.84 1a14 s TYR 91 Ca 0.40 0.01 0.04 0.00 -0.37 0.00 0.00 57.07 57.14 1a14 s TYR 91 Cb -0.14 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 1a14 s TYR 91 CO 0.09 0.52 -0.17 0.00 -1.57 0.00 0.00 175.55 174.41 1a14 s ALA 93 N 0.25 2.05 0.15 0.00 0.00 -0.77 -0.80 121.76 122.64 1a14 s ALA 93 Ca -0.09 -1.69 0.05 0.00 0.00 0.00 0.00 51.96 50.23 1a14 s ALA 93 Cb -0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1a14 s ALA 93 CO 0.04 0.05 0.12 0.50 0.00 0.00 0.00 175.76 176.47 1a14 s ARG 94 N -3.65 2.89 0.25 0.00 3.52 0.12 -0.80 118.95 121.28 1a14 s ARG 94 Ca 0.23 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 54.70 1a14 s ARG 94 Cb -0.00 -2.66 -0.09 0.00 -1.56 0.00 0.00 34.95 30.64 1a14 s ARG 94 CO 0.07 0.50 0.99 0.45 -0.81 0.00 0.00 175.30 176.51 1a14 s SER 95 N -2.95 7.52 0.19 -2.12 0.15 -0.86 -2.09 113.70 113.54 1a14 s SER 95 Ca 0.31 2.05 -0.08 0.00 0.70 0.00 0.00 55.95 58.93 1a14 s SER 95 Cb -0.10 -2.61 0.10 0.00 -1.71 0.00 0.00 66.02 61.69 1a14 s SER 95 CO 0.23 0.06 1.62 1.23 1.20 0.00 0.00 173.24 177.58 1a14 h GLY 96 N 4.09 1.06 -3.92 9.45 0.00 0.17 -3.17 103.07 110.75 1a14 h GLY 96 Ca -0.45 -0.84 -0.64 0.00 0.00 0.00 0.00 47.33 45.40 1a14 h GLY 96 CO 0.68 0.77 0.64 0.61 0.00 0.00 0.00 176.54 179.23 1a14 n GLY 97 N -0.31 5.77 7.00 4.60 0.00 0.18 -4.93 105.19 117.50 1a14 n GLY 97 Ca 0.02 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1a14 n GLY 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a14 n SER 98 N -0.93 0.00 0.26 1.61 3.41 -1.20 -0.57 113.62 116.20 1a14 n SER 98 Ca 0.60 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 59.37 1a14 n SER 98 Cb 0.81 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.36 1a14 n SER 98 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1a14 h TYR 99 N 0.00 0.00 -4.47 7.33 -0.00 -1.85 -2.42 116.97 115.55 1a14 h TYR 99 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 58.73 58.25 1a14 h TYR 99 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 36.73 36.82 1a14 h TYR 99 CO 0.00 0.00 0.39 1.03 -0.00 0.00 0.00 178.16 179.58 1a14 s ARG 100 N -3.57 2.43 -0.49 0.10 0.52 0.26 -4.81 118.95 113.39 1a14 s ARG 100 Ca 0.02 0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.50 1a14 s ARG 100 Cb 0.08 -2.01 0.51 0.00 0.52 0.00 0.00 34.95 34.06 1a14 s ARG 100 CO 0.55 -1.28 1.92 0.66 0.02 0.00 0.00 175.30 177.17 1a14 n TYR 100 N -3.12 2.82 -3.69 -0.53 4.02 -1.26 -4.53 117.16 110.86 1a14 n TYR 100 Ca 0.07 -2.19 -0.18 0.00 -0.01 0.00 0.00 57.90 55.59 1a14 n TYR 100 Cb 0.59 -1.09 -0.17 0.00 -0.02 0.00 0.00 39.34 38.66 1a14 n TYR 100 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1a14 s ASP 100 N -1.22 0.77 1.01 7.72 1.47 -1.26 -5.03 116.67 120.14 1a14 s ASP 100 Ca 0.54 0.15 -0.14 0.00 1.18 0.00 0.00 52.55 54.28 1a14 s ASP 100 Cb 0.44 -0.00 0.15 0.00 -0.34 0.00 0.00 42.92 43.17 1a14 s ASP 100 CO 0.05 -0.22 0.24 0.61 0.68 0.00 0.00 175.17 176.53 1a14 n GLY 100 N 5.04 -2.49 3.38 2.12 0.00 -1.26 0.50 105.19 112.48 1a14 n GLY 100 Ca -0.09 -0.79 -0.46 0.00 0.00 0.00 0.00 46.02 44.68 1a14 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a14 s PHE 100 N -2.09 3.42 0.43 1.61 0.40 -1.26 0.17 117.98 120.67 1a14 s PHE 100 Ca 0.38 -1.62 0.24 0.00 -0.60 0.00 0.00 56.93 55.33 1a14 s PHE 100 Cb -0.06 -4.01 1.35 0.00 0.51 0.00 0.00 43.02 40.81 1a14 s PHE 100 CO 0.37 -1.21 2.06 0.38 0.70 0.00 0.00 175.22 177.52 1a14 h ASP 101 N 8.37 0.00 -3.64 1.36 2.03 -1.67 -3.43 116.42 119.44 1a14 h ASP 101 Ca 0.06 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.10 1a14 h ASP 101 Cb 1.04 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.24 1a14 h ASP 101 CO 0.93 0.13 -0.73 -0.31 -1.03 0.00 0.00 179.24 178.24 1a14 s TYR 102 N -4.31 0.02 0.48 4.15 2.02 -1.26 -4.99 117.35 113.47 1a14 s TYR 102 Ca -0.03 0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.75 1a14 s TYR 102 Cb 0.14 -0.11 -0.03 0.00 -0.40 0.00 0.00 41.96 41.56 1a14 s TYR 102 CO 0.61 -0.04 0.01 -1.58 -1.57 0.00 0.00 175.55 172.98 1a14 s TRP 103 N 0.46 2.05 0.35 2.71 0.52 -1.26 0.14 118.94 123.90 1a14 s TRP 103 Ca -0.04 -0.88 0.08 0.00 0.02 0.00 0.00 56.10 55.28 1a14 s TRP 103 Cb -0.06 -1.64 -0.03 0.00 -1.15 0.00 0.00 33.47 30.59 1a14 s TRP 103 CO -0.01 0.28 0.23 0.20 0.02 0.00 0.00 176.95 177.66 1a14 s GLY 104 N -3.82 1.91 0.00 0.98 0.00 0.02 -4.28 107.32 102.14 1a14 s GLY 104 Ca 0.15 -1.78 0.05 0.00 0.00 0.00 0.00 44.72 43.14 1a14 s GLY 104 CO 0.08 -1.69 0.90 -0.18 0.00 0.00 0.00 173.10 172.21 1a14 n GLN 105 N -1.28 0.67 0.00 2.90 0.00 -1.26 -4.62 117.38 113.79 1a14 n GLN 105 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 1a14 n GLN 105 Cb 0.61 -1.11 0.00 0.00 0.00 0.00 0.00 30.24 29.73 1a14 n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a14 n GLY 106 N 0.21 -0.52 3.02 1.69 0.00 -1.26 -4.98 105.19 103.35 1a14 n GLY 106 Ca 0.04 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 1a14 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a14 s THR 107 N -2.02 -0.75 0.06 2.61 2.01 -0.12 -4.68 115.64 112.75 1a14 s THR 107 Ca 0.00 -0.31 -0.31 0.00 0.31 0.00 0.00 61.69 61.38 1a14 s THR 107 Cb 0.00 -0.59 -0.08 0.00 0.01 0.00 0.00 72.50 71.84 1a14 s THR 107 CO 0.00 -0.21 1.63 -0.89 -0.69 0.00 0.00 174.62 174.45 1a14 s THR 108 N 2.10 3.11 -0.10 -0.82 2.01 -1.26 -2.06 115.64 118.62 1a14 s THR 108 Ca 0.14 0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.69 1a14 s THR 108 Cb -0.10 -3.35 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 1a14 s THR 108 CO -0.15 -0.00 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.99 1a14 s VAL 109 N 2.63 3.41 -0.17 3.82 1.01 0.40 -0.64 120.40 130.86 1a14 s VAL 109 Ca 0.73 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 1a14 s VAL 109 Cb -0.39 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 33.62 1a14 s VAL 109 CO 0.32 0.56 -0.06 -0.89 0.00 0.00 0.00 175.10 175.02 1a14 s THR 110 N -0.28 1.20 0.00 3.92 2.01 0.56 -1.60 115.64 121.46 1a14 s THR 110 Ca 0.03 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1a14 s THR 110 Cb -0.13 -1.36 0.00 0.00 0.01 0.00 0.00 72.50 71.02 1a14 s THR 110 CO 0.03 0.14 0.49 0.52 -0.69 0.00 0.00 174.62 175.11