#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n34 s GLN 3 N 0.00 1.53 0.00 5.31 -0.44 -1.26 -4.09 119.66 120.71 1n34 s GLN 3 Ca 0.00 -1.36 0.00 0.00 -2.50 0.00 0.00 55.36 51.50 1n34 s GLN 3 Cb 0.00 -1.94 0.00 0.00 -1.64 0.00 0.00 33.01 29.43 1n34 s GLN 3 CO 0.00 0.44 0.00 0.66 0.50 0.00 0.00 175.29 176.89 1n34 n TYR 4 N 0.68 0.00 0.00 1.67 4.02 -1.11 -5.06 117.16 117.36 1n34 n TYR 4 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1n34 n TYR 4 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1n34 n TYR 4 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1n34 n TYR 5 N 0.00 0.00 -0.33 -0.72 -0.00 -1.26 -4.65 117.16 110.21 1n34 n TYR 5 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1n34 n TYR 5 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1n34 n TYR 5 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1n34 n GLY 6 N 0.00 -0.52 0.00 2.98 0.00 -1.26 -3.47 105.19 102.92 1n34 n GLY 6 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1n34 n GLY 6 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n34 n THR 7 N -0.02 0.00 -0.64 2.61 -1.04 -1.26 -4.03 114.28 109.89 1n34 n THR 7 Ca 0.00 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1n34 n THR 7 Cb 0.00 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 1n34 n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n34 n GLY 8 N 0.00 -1.23 3.20 3.41 0.00 -1.26 -2.28 105.19 107.03 1n34 n GLY 8 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 1n34 n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n34 s ARG 9 N -1.01 0.93 -0.00 1.61 0.52 -1.24 -3.93 118.95 115.81 1n34 s ARG 9 Ca 0.00 -1.33 -0.28 0.00 -0.52 0.00 0.00 55.73 53.60 1n34 s ARG 9 Cb 0.00 -0.46 0.09 0.00 0.52 0.00 0.00 34.95 35.09 1n34 s ARG 9 CO 0.00 0.05 0.76 0.50 0.02 0.00 0.00 175.30 176.63 1n34 s ARG 10 N -3.50 0.98 0.00 3.54 3.00 -1.17 -4.72 118.95 117.09 1n34 s ARG 10 Ca 0.12 -0.08 0.00 0.00 -1.00 0.00 0.00 55.73 54.77 1n34 s ARG 10 Cb 0.02 0.46 0.00 0.00 0.00 0.00 0.00 34.95 35.43 1n34 s ARG 10 CO -0.01 -0.37 0.00 1.17 0.00 0.00 0.00 175.30 176.09 1n34 n LYS 11 N 0.28 0.00 0.00 5.12 0.00 -1.26 -1.41 118.16 120.89 1n34 n LYS 11 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.16 1n34 n LYS 11 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.63 1n34 n LYS 11 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1n34 n GLU 12 N 0.00 0.00 -4.62 1.64 0.00 -1.26 -4.82 120.64 111.58 1n34 n GLU 12 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.91 1n34 n GLU 12 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 31.44 31.28 1n34 n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n34 s ALA 13 N 0.00 1.29 0.16 4.31 0.00 -0.50 -3.97 121.76 123.05 1n34 s ALA 13 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 1n34 s ALA 13 Cb 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 23.12 22.50 1n34 s ALA 13 CO 0.00 0.14 0.62 0.08 0.00 0.00 0.00 175.76 176.60 1n34 s VAL 14 N 0.53 4.73 -0.22 0.00 1.01 -1.25 -3.03 120.40 122.16 1n34 s VAL 14 Ca -0.12 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.88 1n34 s VAL 14 Cb -0.15 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.54 1n34 s VAL 14 CO 0.03 0.29 0.35 0.00 0.00 0.00 0.00 175.10 175.77 1n34 s ALA 15 N -1.42 -0.94 0.00 5.51 0.00 -1.25 -2.30 121.76 121.36 1n34 s ALA 15 Ca 0.38 0.92 -0.28 0.00 0.00 0.00 0.00 51.96 52.98 1n34 s ALA 15 Cb -0.16 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1n34 s ALA 15 CO 0.20 -1.11 0.89 1.03 0.00 0.00 0.00 175.76 176.77 1n34 s ARG 16 N 2.51 4.54 -0.58 0.00 3.00 -1.24 -4.26 118.95 122.93 1n34 s ARG 16 Ca 0.08 1.27 0.04 0.00 0.00 0.00 0.00 55.73 57.12 1n34 s ARG 16 Cb -0.15 -3.44 0.16 0.00 0.00 0.00 0.00 34.95 31.52 1n34 s ARG 16 CO -0.14 0.04 0.38 0.08 0.00 0.00 0.00 175.30 175.66 1n34 s VAL 17 N 0.72 2.20 -0.47 3.52 1.01 -1.26 -3.14 120.40 122.98 1n34 s VAL 17 Ca 0.47 -3.55 -0.25 0.00 0.00 0.00 0.00 61.98 58.64 1n34 s VAL 17 Cb -0.21 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.72 1n34 s VAL 17 CO 0.25 -0.98 0.92 -0.36 0.00 0.00 0.00 175.10 174.94 1n34 s PHE 18 N -0.69 2.90 0.03 5.22 2.99 -1.03 -4.34 117.98 123.06 1n34 s PHE 18 Ca 0.23 0.32 0.06 0.00 0.00 0.00 0.00 56.93 57.54 1n34 s PHE 18 Cb -0.11 -3.98 -0.03 0.00 0.00 0.00 0.00 43.02 38.90 1n34 s PHE 18 CO -0.11 -1.14 -0.16 -0.51 -0.00 0.00 0.00 175.22 173.31 1n34 s LEU 19 N 3.78 2.72 0.27 -0.37 1.02 -1.26 -1.17 118.68 123.67 1n34 s LEU 19 Ca 0.36 -0.37 -0.08 0.00 0.02 0.00 0.00 54.13 54.05 1n34 s LEU 19 Cb -0.10 -1.58 -0.01 0.00 0.02 0.00 0.00 46.19 44.52 1n34 s LEU 19 CO 0.25 0.26 0.44 -0.13 0.02 0.00 0.00 176.35 177.19 1n34 s ARG 20 N -1.44 1.62 0.98 1.70 0.52 0.24 -2.74 118.95 119.83 1n34 s ARG 20 Ca 0.15 -1.45 -0.12 0.00 -0.52 0.00 0.00 55.73 53.80 1n34 s ARG 20 Cb -0.11 0.44 0.18 0.00 0.52 0.00 0.00 34.95 35.98 1n34 s ARG 20 CO 0.06 -0.66 1.08 -2.14 0.02 0.00 0.00 175.30 173.66 1n34 s PRO 21 N -3.73 0.58 0.00 3.54 0.02 -1.26 0.23 135.00 134.38 1n34 s PRO 21 Ca 0.27 0.93 0.00 0.00 0.02 0.00 0.00 61.00 62.22 1n34 s PRO 21 Cb 0.00 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.80 1n34 s PRO 21 CO 0.13 -2.74 0.00 0.41 -0.33 0.00 0.00 177.00 174.46 1n34 n GLY 22 N -0.38 0.47 0.00 0.52 0.00 0.12 -4.28 105.19 101.64 1n34 n GLY 22 Ca 0.07 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1n34 n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1n34 n ASN 23 N 0.00 0.00 -2.31 1.61 2.85 -1.26 -1.57 115.26 114.58 1n34 n ASN 23 Ca 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.45 1n34 n ASN 23 Cb 0.00 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.07 1n34 n ASN 23 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1n34 n GLY 24 N 5.00 2.31 3.46 8.20 0.00 -1.26 -3.70 105.19 119.20 1n34 n GLY 24 Ca 0.00 -1.22 -0.44 0.00 0.00 0.00 0.00 46.02 44.37 1n34 n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n34 s LYS 25 N -2.84 3.83 0.13 1.61 -2.85 -1.26 -5.01 119.74 113.35 1n34 s LYS 25 Ca 0.32 -2.11 0.04 0.00 -1.00 0.00 0.00 55.97 53.22 1n34 s LYS 25 Cb 0.35 -5.02 -0.04 0.00 -2.06 0.00 0.00 37.83 31.06 1n34 s LYS 25 CO -0.06 -1.80 0.11 0.08 0.10 0.00 0.00 175.35 173.78 1n34 s VAL 26 N 2.33 4.50 0.28 1.79 1.01 -1.26 -4.23 120.40 124.83 1n34 s VAL 26 Ca 0.38 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1n34 s VAL 26 Cb -0.03 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1n34 s VAL 26 CO -0.05 -0.01 0.27 0.28 0.00 0.00 0.00 175.10 175.60 1n34 s THR 27 N -1.60 0.00 0.00 3.92 -1.32 -1.22 -2.67 115.64 112.75 1n34 s THR 27 Ca 0.30 -1.89 0.00 0.00 -1.21 0.00 0.00 61.69 58.89 1n34 s THR 27 Cb -0.11 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 1n34 s THR 27 CO 0.23 0.00 0.00 1.33 -2.21 0.00 0.00 174.62 173.97 1n34 n VAL 28 N -0.48 0.00 -1.52 5.08 0.24 -0.52 -1.94 118.33 119.19 1n34 n VAL 28 Ca 0.04 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.21 1n34 n VAL 28 Cb 0.63 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.90 1n34 n VAL 28 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1n34 n ASN 29 N 0.00 1.03 0.00 -1.34 5.15 -1.14 -4.32 115.26 114.64 1n34 n ASN 29 Ca 0.00 -2.28 0.00 0.00 -0.60 0.00 0.00 54.58 51.70 1n34 n ASN 29 Cb 0.00 -1.62 0.00 0.00 -0.53 0.00 0.00 39.78 37.63 1n34 n ASN 29 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n34 n GLY 30 N 6.05 1.00 3.14 8.20 0.00 -1.26 -4.98 105.19 117.34 1n34 n GLY 30 Ca 0.38 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1n34 n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n34 n GLN 31 N 0.36 -0.10 0.00 1.61 6.02 -1.26 -4.94 117.38 119.06 1n34 n GLN 31 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1n34 n GLN 31 Cb 0.00 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1n34 n GLN 31 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1n34 n ASP 32 N 1.82 -1.24 0.04 1.08 5.75 -1.26 -1.44 116.55 121.30 1n34 n ASP 32 Ca 0.01 -0.24 -0.02 0.00 -0.01 0.00 0.00 54.79 54.53 1n34 n ASP 32 Cb 0.55 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.63 1n34 n ASP 32 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1n34 h PHE 33 N -1.58 -0.12 0.00 2.11 3.57 -1.71 -3.08 116.94 116.13 1n34 h PHE 33 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1n34 h PHE 33 Cb 0.00 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1n34 h PHE 33 CO 0.00 -0.07 0.00 0.09 -2.23 0.00 0.00 178.31 176.10 1n34 n ASN 34 N -2.62 0.00 -0.09 0.41 5.03 -1.26 -1.77 115.26 114.96 1n34 n ASN 34 Ca -0.02 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.29 1n34 n ASN 34 Cb 0.05 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.74 1n34 n ASN 34 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1n34 n GLU 35 N -0.56 0.40 -0.17 3.52 0.00 -1.22 -4.34 120.64 118.27 1n34 n GLU 35 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 57.16 57.34 1n34 n GLU 35 Cb 0.00 -1.25 0.14 0.00 0.00 0.00 0.00 31.44 30.33 1n34 n GLU 35 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1n34 n TYR 36 N -3.33 0.45 -3.23 4.31 9.36 -0.73 -4.33 117.16 119.66 1n34 n TYR 36 Ca -0.32 -0.22 -0.18 0.00 3.32 0.00 0.00 57.90 60.50 1n34 n TYR 36 Cb 0.79 -0.01 -0.07 0.00 -0.63 0.00 0.00 39.34 39.42 1n34 n TYR 36 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1n34 s PHE 37 N -1.58 -0.05 0.00 2.98 0.40 -1.11 -5.06 117.98 113.55 1n34 s PHE 37 Ca 0.21 -1.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.16 1n34 s PHE 37 Cb 0.11 -0.44 0.00 0.00 0.51 0.00 0.00 43.02 43.20 1n34 s PHE 37 CO 0.14 -0.99 0.31 1.04 0.70 0.00 0.00 175.22 176.42 1n34 n GLN 38 N 3.36 0.00 -3.59 0.44 1.13 -1.26 -3.69 117.38 113.77 1n34 n GLN 38 Ca 0.20 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 55.04 1n34 n GLN 38 Cb 0.49 -0.89 -0.06 0.00 0.11 0.00 0.00 30.24 29.89 1n34 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1n34 n GLY 39 N 2.84 -0.13 3.72 1.08 0.00 -1.26 -4.82 105.19 106.62 1n34 n GLY 39 Ca 0.00 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1n34 n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n34 s LEU 40 N -5.55 4.40 0.53 0.99 1.43 -1.24 -4.86 118.68 114.38 1n34 s LEU 40 Ca 0.16 2.09 0.42 0.00 -1.03 0.00 0.00 54.13 55.78 1n34 s LEU 40 Cb -0.10 -3.59 1.46 0.00 0.03 0.00 0.00 46.19 43.99 1n34 s LEU 40 CO 0.64 -0.44 1.41 0.52 0.23 0.00 0.00 176.35 178.70 1n34 n VAL 41 N 3.52 0.00 0.00 -1.59 0.31 -1.26 -2.48 118.33 116.83 1n34 n VAL 41 Ca 0.08 1.35 0.00 0.00 -0.01 0.00 0.00 64.34 65.75 1n34 n VAL 41 Cb 0.46 -2.28 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 1n34 n VAL 41 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1n34 n ARG 42 N -3.64 0.00 0.00 5.55 5.12 -1.26 -4.10 116.66 118.32 1n34 n ARG 42 Ca 0.37 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.29 1n34 n ARG 42 Cb 1.80 -0.34 0.00 0.00 -1.16 0.00 0.00 32.46 32.76 1n34 n ARG 42 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n34 n ALA 43 N -3.00 0.00 -0.32 7.54 0.00 -1.03 -0.28 120.51 123.41 1n34 n ALA 43 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.74 1n34 n ALA 43 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 19.45 19.99 1n34 n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n34 n VAL 44 N -1.54 -0.32 0.05 0.00 0.31 -1.25 0.12 118.33 115.70 1n34 n VAL 44 Ca 0.00 1.70 -0.06 0.00 -0.01 0.00 0.00 64.34 65.97 1n34 n VAL 44 Cb 0.00 -2.77 -0.11 0.00 -0.91 0.00 0.00 33.84 30.05 1n34 n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n34 h ALA 45 N 1.62 0.50 -0.87 3.52 0.00 -0.87 -3.27 119.26 119.89 1n34 h ALA 45 Ca 0.75 -0.99 0.25 0.00 0.00 0.00 0.00 54.91 54.92 1n34 h ALA 45 Cb 2.12 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.89 1n34 h ALA 45 CO -0.59 1.25 0.63 0.00 0.00 0.00 0.00 179.25 180.54 1n34 h ALA 46 N 1.07 2.79 -0.30 0.00 0.00 0.84 1.38 119.26 125.04 1n34 h ALA 46 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1n34 h ALA 46 Cb 1.78 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1n34 h ALA 46 CO 0.11 -1.04 0.00 1.28 0.00 0.00 0.00 179.25 179.59 1n34 n LEU 47 N -4.29 3.27 -0.07 0.00 4.77 -1.18 -3.55 117.00 115.96 1n34 n LEU 47 Ca 0.18 -1.34 -0.02 0.00 -0.03 0.00 0.00 56.01 54.79 1n34 n LEU 47 Cb 0.93 -0.19 0.22 0.00 -2.33 0.00 0.00 43.42 42.05 1n34 n LEU 47 CO 0.38 0.67 0.91 -0.08 -1.33 0.00 0.00 177.39 177.94 1n34 h GLU 48 N 4.42 0.68 -0.43 3.23 4.57 0.18 -3.22 114.58 124.01 1n34 h GLU 48 Ca 0.00 -0.16 0.07 0.00 -1.18 0.00 0.00 59.36 58.09 1n34 h GLU 48 Cb 0.97 -0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 29.38 1n34 h GLU 48 CO 0.00 0.69 -0.45 -1.00 -1.18 0.00 0.00 179.01 177.07 1n34 h PRO 49 N 0.64 -0.31 -0.93 0.92 0.13 -1.75 0.89 132.00 131.59 1n34 h PRO 49 Ca 0.13 0.02 0.27 0.00 -0.87 0.00 0.00 66.00 65.56 1n34 h PRO 49 Cb 0.39 0.07 -0.15 0.00 0.13 0.00 0.00 31.00 31.44 1n34 h PRO 49 CO 0.01 -0.21 0.36 -0.07 -0.23 0.00 0.00 178.00 177.86 1n34 h LEU 50 N -0.32 0.18 -3.26 1.56 3.38 -1.41 -0.27 115.31 115.16 1n34 h LEU 50 Ca 0.13 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1n34 h LEU 50 Cb 0.58 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1n34 h LEU 50 CO -0.60 -0.16 0.00 0.54 0.09 0.00 0.00 178.44 178.31 1n34 n ARG 51 N -5.17 0.49 0.00 1.13 1.74 0.31 -4.40 116.66 110.75 1n34 n ARG 51 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1n34 n ARG 51 Cb 0.81 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 1n34 n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n34 n ALA 52 N 1.59 -0.20 -1.62 7.54 0.00 -0.11 -3.77 120.51 123.94 1n34 n ALA 52 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1n34 n ALA 52 Cb 0.24 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.75 1n34 n ALA 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n34 n VAL 53 N -1.22 3.27 -1.41 0.00 0.31 -1.26 -5.02 118.33 112.99 1n34 n VAL 53 Ca 0.00 -3.49 0.00 0.00 -0.01 0.00 0.00 64.34 60.84 1n34 n VAL 53 Cb 0.00 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1n34 n VAL 53 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1n34 n ASP 54 N -0.81 -5.52 0.00 4.52 -0.08 -1.25 -5.07 116.55 108.34 1n34 n ASP 54 Ca 0.56 1.04 0.00 0.00 -1.51 0.00 0.00 54.79 54.87 1n34 n ASP 54 Cb 0.71 -3.84 0.00 0.00 2.34 0.00 0.00 41.12 40.33 1n34 n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1n34 n ALA 55 N -1.76 0.00 -0.48 -1.67 0.00 -1.26 -4.98 120.51 110.36 1n34 n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n34 n ALA 55 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1n34 n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1n34 n LEU 56 N 0.00 0.00 -3.10 0.00 0.00 -1.26 -4.14 117.00 108.50 1n34 n LEU 56 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 56.01 55.75 1n34 n LEU 56 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 1n34 n LEU 56 CO 0.00 0.00 2.56 0.61 0.00 0.00 0.00 177.39 180.56 1n34 n GLY 57 N 0.00 3.38 0.18 -3.96 0.00 -1.24 -2.15 105.19 101.39 1n34 n GLY 57 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1n34 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n34 n ARG 58 N 3.84 0.00 -4.44 1.61 1.74 -0.61 -4.77 116.66 114.03 1n34 n ARG 58 Ca 0.53 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.40 1n34 n ARG 58 Cb 0.22 -0.13 -0.10 0.00 -1.02 0.00 0.00 32.46 31.43 1n34 n ARG 58 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1n34 s PHE 59 N -1.09 1.95 0.23 -1.55 0.40 -0.92 0.15 117.98 117.15 1n34 s PHE 59 Ca 0.00 -0.79 -0.02 0.00 -0.60 0.00 0.00 56.93 55.53 1n34 s PHE 59 Cb 0.00 -1.18 0.01 0.00 0.51 0.00 0.00 43.02 42.36 1n34 s PHE 59 CO 0.00 0.19 0.32 -0.25 0.70 0.00 0.00 175.22 176.18 1n34 n ASP 60 N -0.62 -0.90 -3.25 1.36 8.00 0.64 -4.26 116.55 117.51 1n34 n ASP 60 Ca -0.05 -2.19 -0.02 0.00 0.71 0.00 0.00 54.79 53.24 1n34 n ASP 60 Cb 0.64 1.67 0.02 0.00 -0.02 0.00 0.00 41.12 43.43 1n34 n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n34 n ALA 61 N -1.53 -2.69 -3.58 2.24 0.00 -1.26 -0.59 120.51 113.11 1n34 n ALA 61 Ca -0.09 -0.92 -0.13 0.00 0.00 0.00 0.00 53.44 52.31 1n34 n ALA 61 Cb 0.37 0.45 -0.12 0.00 0.00 0.00 0.00 19.45 20.16 1n34 n ALA 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1n34 s TYR 62 N -2.30 -0.51 -0.23 0.00 5.04 -0.32 -3.40 117.35 115.63 1n34 s TYR 62 Ca 0.23 0.87 0.01 0.00 -2.44 0.00 0.00 57.07 55.74 1n34 s TYR 62 Cb -0.02 -0.05 0.06 0.00 0.35 0.00 0.00 41.96 42.30 1n34 s TYR 62 CO 0.04 -0.48 -0.06 0.96 -1.34 0.00 0.00 175.55 174.67 1n34 s ILE 63 N 2.45 1.54 -1.15 3.14 -4.36 -0.82 -2.47 121.20 119.52 1n34 s ILE 63 Ca 0.04 -1.17 -0.11 0.00 -0.26 0.00 0.00 60.65 59.15 1n34 s ILE 63 Cb -0.13 -1.77 0.24 0.00 1.25 0.00 0.00 42.46 42.05 1n34 s ILE 63 CO -0.11 -0.05 1.23 -0.89 0.24 0.00 0.00 174.94 175.36 1n34 s THR 64 N 1.40 5.67 -0.90 8.37 2.01 -1.19 -2.89 115.64 128.11 1n34 s THR 64 Ca -0.05 -3.16 -0.19 0.00 0.31 0.00 0.00 61.69 58.60 1n34 s THR 64 Cb -0.18 -4.72 0.13 0.00 0.01 0.00 0.00 72.50 67.74 1n34 s THR 64 CO -0.06 -1.34 1.09 0.54 -0.69 0.00 0.00 174.62 174.15 1n34 s VAL 65 N -0.27 4.75 -0.16 3.82 0.11 -1.26 -3.63 120.40 123.76 1n34 s VAL 65 Ca 0.35 -1.53 -0.02 0.00 -2.93 0.00 0.00 61.98 57.86 1n34 s VAL 65 Cb -0.07 -4.75 -0.02 0.00 -1.53 0.00 0.00 36.38 30.01 1n34 s VAL 65 CO -0.05 -1.47 -0.09 -0.60 -3.33 0.00 0.00 175.10 169.56 1n34 s ARG 66 N 2.64 3.44 0.00 1.54 3.52 -0.97 -4.81 118.95 124.31 1n34 s ARG 66 Ca 0.31 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 1n34 s ARG 66 Cb -0.06 -2.78 0.00 0.00 -1.56 0.00 0.00 34.95 30.54 1n34 s ARG 66 CO -0.08 0.12 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 1n34 n GLY 67 N 3.84 3.34 0.46 8.12 0.00 -1.26 -3.91 105.19 115.78 1n34 n GLY 67 Ca -0.18 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1n34 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n34 n GLY 68 N 0.00 0.99 3.55 -0.02 0.00 -1.25 -3.75 105.19 104.70 1n34 n GLY 68 Ca 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1n34 n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n34 s GLY 69 N 0.00 -0.36 0.22 -0.02 0.00 -1.26 -5.06 107.32 100.84 1n34 s GLY 69 Ca 0.00 1.56 -0.12 0.00 0.00 0.00 0.00 44.72 46.16 1n34 s GLY 69 CO 0.00 0.69 1.35 0.28 0.00 0.00 0.00 173.10 175.42 1n34 n LYS 70 N 0.25 -0.16 -0.08 2.90 4.76 -1.26 -0.46 118.16 124.11 1n34 n LYS 70 Ca -0.09 1.34 -0.07 0.00 -2.87 0.00 0.00 58.31 56.62 1n34 n LYS 70 Cb 0.60 -1.99 -0.01 0.00 -1.84 0.00 0.00 35.03 31.78 1n34 n LYS 70 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1n34 h SER 71 N 0.00 -0.81 0.12 4.39 0.87 -1.99 0.19 113.55 116.31 1n34 h SER 71 Ca 0.35 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 61.06 1n34 h SER 71 Cb 0.56 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1n34 h SER 71 CO -0.87 -0.28 -0.06 1.23 -0.53 0.00 0.00 176.83 176.32 1n34 h GLY 72 N -0.22 -0.17 0.00 5.77 0.00 -1.31 -2.83 103.07 104.31 1n34 h GLY 72 Ca 0.16 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1n34 h GLY 72 CO -0.45 -0.06 0.00 -1.06 0.00 0.00 0.00 176.54 174.97 1n34 n GLN 73 N -5.13 0.00 -0.37 4.80 6.02 0.39 -0.01 117.38 123.08 1n34 n GLN 73 Ca -0.08 0.66 0.30 0.00 -0.01 0.00 0.00 57.00 57.87 1n34 n GLN 73 Cb 0.12 -1.25 0.50 0.00 1.02 0.00 0.00 30.24 30.64 1n34 n GLN 73 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1n34 n ILE 74 N -1.85 -0.15 -0.03 5.09 5.41 0.54 0.25 119.36 128.62 1n34 n ILE 74 Ca 0.00 1.25 -0.16 0.00 1.00 0.00 0.00 62.75 64.84 1n34 n ILE 74 Cb 0.00 -2.05 -0.13 0.00 -0.71 0.00 0.00 39.64 36.74 1n34 n ILE 74 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1n34 h ASP 75 N 0.00 0.14 -0.86 4.38 3.32 -0.17 -2.93 116.42 120.31 1n34 h ASP 75 Ca 0.64 -0.96 0.21 0.00 0.02 0.00 0.00 57.03 56.94 1n34 h ASP 75 Cb 2.14 -0.05 -0.12 0.00 0.22 0.00 0.00 39.33 41.52 1n34 h ASP 75 CO -0.28 1.09 0.31 0.00 -1.72 0.00 0.00 179.24 178.64 1n34 h ALA 76 N 0.05 1.29 0.34 3.45 0.00 0.33 0.43 119.26 125.15 1n34 h ALA 76 Ca -0.04 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1n34 h ALA 76 Cb 1.16 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1n34 h ALA 76 CO 0.04 -0.36 -0.37 0.82 0.00 0.00 0.00 179.25 179.38 1n34 h ILE 77 N 0.33 0.25 -0.69 0.00 2.04 -1.56 -2.36 117.51 115.51 1n34 h ILE 77 Ca 0.52 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.65 1n34 h ILE 77 Cb 0.98 0.25 -0.09 0.00 -0.74 0.00 0.00 36.82 37.22 1n34 h ILE 77 CO -0.55 0.00 0.41 1.17 0.00 0.00 0.00 178.15 179.18 1n34 n LYS 78 N -5.47 -0.03 0.04 2.37 4.81 0.15 -0.40 118.16 119.63 1n34 n LYS 78 Ca -0.10 0.78 -0.05 0.00 -0.87 0.00 0.00 58.31 58.07 1n34 n LYS 78 Cb 0.37 -1.45 -0.03 0.00 0.02 0.00 0.00 35.03 33.93 1n34 n LYS 78 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1n34 h LEU 79 N 0.00 -0.17 -0.31 3.14 3.38 -1.25 -3.35 115.31 116.75 1n34 h LEU 79 Ca 0.51 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.40 1n34 h LEU 79 Cb 1.48 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 42.22 1n34 h LEU 79 CO -0.37 0.35 -0.42 1.23 0.09 0.00 0.00 178.44 179.31 1n34 h GLY 80 N -1.03 -1.24 -3.15 0.83 0.00 -0.29 1.39 103.07 99.58 1n34 h GLY 80 Ca -0.02 0.75 0.00 0.00 0.00 0.00 0.00 47.33 48.06 1n34 h GLY 80 CO 0.03 -0.27 0.00 0.29 0.00 0.00 0.00 176.54 176.60 1n34 n ILE 81 N -4.73 0.70 0.00 2.60 -5.35 -0.97 0.25 119.36 111.86 1n34 n ILE 81 Ca -0.03 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1n34 n ILE 81 Cb 0.26 -1.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.09 1n34 n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1n34 n ALA 82 N 1.52 0.51 1.09 -1.28 0.00 0.91 -2.01 120.51 121.25 1n34 n ALA 82 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1n34 n ALA 82 Cb 0.20 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.90 1n34 n ALA 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n34 n ARG 83 N -0.83 0.39 0.09 0.00 1.74 0.44 -3.72 116.66 114.77 1n34 n ARG 83 Ca 0.00 -0.25 -0.04 0.00 -0.77 0.00 0.00 57.85 56.79 1n34 n ARG 83 Cb 0.00 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 1n34 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n34 h ALA 84 N 3.31 0.48 -0.64 7.54 0.00 0.33 -3.32 119.26 126.97 1n34 h ALA 84 Ca 0.00 -0.75 -0.43 0.00 0.00 0.00 0.00 54.91 53.73 1n34 h ALA 84 Cb 0.52 -0.13 -0.18 0.00 0.00 0.00 0.00 17.79 17.99 1n34 h ALA 84 CO 0.00 1.03 0.56 1.28 0.00 0.00 0.00 179.25 182.12 1n34 n LEU 85 N -3.33 6.84 0.00 0.00 4.32 -1.24 -3.25 117.00 120.33 1n34 n LEU 85 Ca 0.01 -3.60 0.00 0.00 -0.02 0.00 0.00 56.01 52.40 1n34 n LEU 85 Cb 0.86 -1.03 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1n34 n LEU 85 CO 0.45 1.30 0.01 1.33 -1.22 0.00 0.00 177.39 179.25 1n34 n VAL 86 N -0.05 0.00 -0.05 4.08 0.24 -1.23 -3.88 118.33 117.44 1n34 n VAL 86 Ca 0.40 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.65 1n34 n VAL 86 Cb 0.61 1.57 -0.14 0.00 -1.47 0.00 0.00 33.84 34.41 1n34 n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n34 n GLN 87 N 0.00 0.66 -0.09 7.34 1.13 -1.20 -3.15 117.38 122.07 1n34 n GLN 87 Ca 0.00 0.07 -0.14 0.00 -1.94 0.00 0.00 57.00 54.99 1n34 n GLN 87 Cb 0.26 -1.63 -0.05 0.00 0.11 0.00 0.00 30.24 28.93 1n34 n GLN 87 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1n34 n TYR 88 N -2.77 0.00 -3.56 1.08 9.36 -1.25 -4.76 117.16 115.25 1n34 n TYR 88 Ca -0.22 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.68 1n34 n TYR 88 Cb 1.01 -0.57 -0.08 0.00 -0.63 0.00 0.00 39.34 39.07 1n34 n TYR 88 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1n34 n ASN 89 N -4.24 4.02 -0.35 2.98 5.15 -1.25 -4.87 115.26 116.70 1n34 n ASN 89 Ca -0.24 -3.29 0.00 0.00 -0.60 0.00 0.00 54.58 50.45 1n34 n ASN 89 Cb 0.57 -0.87 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 1n34 n ASN 89 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1n34 n PRO 90 N 1.61 0.57 -0.50 1.20 -0.04 -1.19 -0.80 135.00 135.86 1n34 n PRO 90 Ca 0.25 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.73 1n34 n PRO 90 Cb 0.37 -1.20 0.04 0.00 -0.04 0.00 0.00 33.50 32.67 1n34 n PRO 90 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1n34 n ASP 91 N 0.00 0.69 -0.92 3.54 5.68 -1.26 -4.82 116.55 119.46 1n34 n ASP 91 Ca 0.00 -2.32 0.02 0.00 -0.50 0.00 0.00 54.79 52.00 1n34 n ASP 91 Cb 0.10 -0.27 0.13 0.00 -1.14 0.00 0.00 41.12 39.93 1n34 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1n34 n TYR 92 N -0.32 0.65 -2.10 2.11 -0.00 0.02 -4.47 117.16 113.05 1n34 n TYR 92 Ca 0.05 -0.23 -0.37 0.00 -0.00 0.00 0.00 57.90 57.35 1n34 n TYR 92 Cb 0.73 -0.22 0.03 0.00 -0.00 0.00 0.00 39.34 39.88 1n34 n TYR 92 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 1n34 n ARG 93 N 0.20 3.08 0.01 2.98 1.85 -1.26 -4.12 116.66 119.39 1n34 n ARG 93 Ca 0.09 -3.82 0.12 0.00 -1.00 0.00 0.00 57.85 53.24 1n34 n ARG 93 Cb 0.53 -2.28 0.26 0.00 -1.05 0.00 0.00 32.46 29.93 1n34 n ARG 93 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1n34 n ALA 94 N -0.49 3.38 -2.68 2.89 0.00 -1.26 -4.20 120.51 118.14 1n34 n ALA 94 Ca 0.50 -0.32 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 1n34 n ALA 94 Cb 0.32 -1.15 0.05 0.00 0.00 0.00 0.00 19.45 18.67 1n34 n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n34 n LYS 95 N -1.58 0.67 0.02 0.00 4.76 -1.26 -4.98 118.16 115.78 1n34 n LYS 95 Ca 0.05 -1.24 0.00 0.00 -2.87 0.00 0.00 58.31 54.25 1n34 n LYS 95 Cb 0.35 -0.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 1n34 n LYS 95 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1n34 n LEU 96 N -0.54 0.38 -0.07 -0.35 7.94 -1.26 -4.71 117.00 118.39 1n34 n LEU 96 Ca -0.15 0.05 -0.12 0.00 -1.11 0.00 0.00 56.01 54.68 1n34 n LEU 96 Cb 0.74 -0.11 -0.05 0.00 0.53 0.00 0.00 43.42 44.53 1n34 n LEU 96 CO -0.10 -0.28 0.67 0.50 -1.11 0.00 0.00 177.39 177.07 1n34 h LYS 97 N 0.00 0.43 -0.04 1.96 3.64 -1.90 -1.92 116.57 118.74 1n34 h LYS 97 Ca 0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1n34 h LYS 97 Cb 0.62 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1n34 h LYS 97 CO 0.00 0.71 0.00 -2.30 -2.27 0.00 0.00 179.45 175.59 1n34 n PRO 98 N -4.56 0.13 -0.02 1.90 -0.02 -1.26 0.10 135.00 131.27 1n34 n PRO 98 Ca -0.05 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.41 1n34 n PRO 98 Cb 0.32 -1.02 -0.02 0.00 -0.02 0.00 0.00 33.50 32.76 1n34 n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1n34 n LEU 99 N -0.25 2.68 0.00 2.45 7.99 -0.89 -5.03 117.00 123.95 1n34 n LEU 99 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 1n34 n LEU 99 Cb 0.01 -0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.22 1n34 n LEU 99 CO 0.00 0.50 0.00 0.61 -1.51 0.00 0.00 177.39 176.99 1n34 n GLY 100 N 3.29 0.53 0.41 -0.72 0.00 0.28 -4.83 105.19 104.16 1n34 n GLY 100 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1n34 n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n34 n PHE 101 N -2.47 0.00 -0.38 1.61 3.01 -1.26 0.02 117.46 117.99 1n34 n PHE 101 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1n34 n PHE 101 Cb 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1n34 n PHE 101 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 1n34 n LEU 102 N 0.22 1.23 -4.24 4.37 -0.00 -1.26 -4.28 117.00 113.03 1n34 n LEU 102 Ca 0.00 -1.23 -0.43 0.00 -0.00 0.00 0.00 56.01 54.35 1n34 n LEU 102 Cb 0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.42 1n34 n LEU 102 CO 0.00 0.31 0.23 -0.89 -0.00 0.00 0.00 177.39 177.03 1n34 s THR 103 N -0.61 4.81 -0.47 1.47 2.01 0.10 -5.03 115.64 117.92 1n34 s THR 103 Ca 0.00 -2.45 -0.38 0.00 0.31 0.00 0.00 61.69 59.16 1n34 s THR 103 Cb 0.00 -4.04 -0.15 0.00 0.01 0.00 0.00 72.50 68.31 1n34 s THR 103 CO 0.00 -0.94 2.21 -1.14 -0.69 0.00 0.00 174.62 174.07 1n34 n ARG 104 N 4.05 0.53 -2.71 4.92 0.00 -1.26 -4.85 116.66 117.34 1n34 n ARG 104 Ca 0.07 0.13 -0.42 0.00 -0.00 0.00 0.00 57.85 57.63 1n34 n ARG 104 Cb 0.43 -2.00 -0.03 0.00 0.00 0.00 0.00 32.46 30.86 1n34 n ARG 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1n34 s ASP 105 N 7.02 7.22 -0.04 6.15 2.15 -1.26 -4.91 116.67 133.00 1n34 s ASP 105 Ca 1.16 1.49 0.04 0.00 0.43 0.00 0.00 52.55 55.67 1n34 s ASP 105 Cb -1.14 -2.55 0.18 0.00 -0.30 0.00 0.00 42.92 39.11 1n34 s ASP 105 CO 0.56 -0.44 0.90 0.00 -0.17 0.00 0.00 175.17 176.02 1n34 n ALA 106 N 5.04 2.70 -1.67 3.66 0.00 -1.26 -4.07 120.51 124.92 1n34 n ALA 106 Ca 0.08 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 1n34 n ALA 106 Cb 0.49 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 1n34 n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1n34 s ARG 107 N -1.53 3.44 0.00 0.00 0.52 -1.26 -4.90 118.95 115.22 1n34 s ARG 107 Ca 0.12 2.14 0.00 0.00 -0.52 0.00 0.00 55.73 57.48 1n34 s ARG 107 Cb 0.08 -4.29 0.00 0.00 0.52 0.00 0.00 34.95 31.26 1n34 s ARG 107 CO 0.05 -1.75 0.00 0.28 0.02 0.00 0.00 175.30 173.90 1n34 n VAL 108 N 7.07 0.00 -4.03 3.52 0.31 -1.26 -4.49 118.33 119.45 1n34 n VAL 108 Ca 0.26 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.28 1n34 n VAL 108 Cb 0.44 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.31 1n34 n VAL 108 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1n34 s VAL 109 N -0.39 4.77 -0.10 2.52 -7.23 -1.26 -5.10 120.40 113.61 1n34 s VAL 109 Ca 0.00 -0.58 -0.15 0.00 -1.81 0.00 0.00 61.98 59.43 1n34 s VAL 109 Cb 0.00 -3.27 -0.05 0.00 0.56 0.00 0.00 36.38 33.62 1n34 s VAL 109 CO 0.00 0.19 0.38 -1.61 -0.31 0.00 0.00 175.10 173.75 1n34 s GLU 110 N -2.23 4.17 0.40 4.82 8.01 -1.26 -5.06 118.70 127.54 1n34 s GLU 110 Ca 0.29 0.29 -0.26 0.00 0.01 0.00 0.00 54.97 55.29 1n34 s GLU 110 Cb -0.12 -3.37 -0.09 0.00 -4.31 0.00 0.00 34.13 26.24 1n34 s GLU 110 CO 0.21 0.35 1.24 -0.98 0.01 0.00 0.00 175.26 176.09 1n34 s ARG 111 N 0.07 4.04 -0.59 1.61 1.70 -1.26 -4.73 118.95 119.79 1n34 s ARG 111 Ca 0.21 2.01 -0.27 0.00 -0.47 0.00 0.00 55.73 57.22 1n34 s ARG 111 Cb -0.15 -2.75 -0.02 0.00 -0.57 0.00 0.00 34.95 31.46 1n34 s ARG 111 CO 0.08 -0.38 1.82 0.21 -1.08 0.00 0.00 175.30 175.95 1n34 s LYS 112 N -2.21 2.74 0.86 3.89 2.36 -1.26 -3.53 119.74 122.58 1n34 s LYS 112 Ca 0.56 0.65 -0.12 0.00 -2.55 0.00 0.00 55.97 54.52 1n34 s LYS 112 Cb -0.35 -4.35 0.11 0.00 -1.05 0.00 0.00 37.83 32.19 1n34 s LYS 112 CO 0.44 -2.60 1.10 0.15 1.55 0.00 0.00 175.35 175.99 1n34 s LYS 113 N 6.80 1.58 0.00 4.03 3.01 -1.26 -4.70 119.74 129.20 1n34 s LYS 113 Ca 0.67 0.69 0.00 0.00 -1.01 0.00 0.00 55.97 56.32 1n34 s LYS 113 Cb -0.13 -1.86 0.00 0.00 -1.01 0.00 0.00 37.83 34.83 1n34 s LYS 113 CO 0.22 -1.99 0.00 2.48 0.51 0.00 0.00 175.35 176.57 1n34 n TYR 114 N -3.69 -0.70 0.00 3.18 0.18 -1.26 -4.25 117.16 110.61 1n34 n TYR 114 Ca 0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.85 1n34 n TYR 114 Cb 0.56 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.52 1n34 n TYR 114 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1n34 n GLY 115 N 1.60 -0.01 0.00 -7.48 0.00 -1.26 -4.57 105.19 93.47 1n34 n GLY 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1n34 n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n34 n LYS 116 N 0.00 0.45 -0.00 1.61 5.02 -1.26 -4.74 118.16 119.24 1n34 n LYS 116 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1n34 n LYS 116 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1n34 n LYS 116 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1n34 n HIS 117 N -1.26 0.00 -2.78 2.13 8.25 0.29 -4.86 115.22 116.99 1n34 n HIS 117 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1n34 n HIS 117 Cb 0.00 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.10 1n34 n HIS 117 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1n34 s LYS 118 N -2.03 0.89 0.00 -0.41 1.02 -1.20 -4.92 119.74 113.09 1n34 s LYS 118 Ca -0.00 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1n34 s LYS 118 Cb 0.01 -0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 1n34 s LYS 118 CO 0.03 -1.11 0.00 0.00 -0.92 0.00 0.00 175.35 173.35 1n34 n ALA 119 N 3.00 0.00 0.00 5.17 0.00 -1.23 -2.11 120.51 125.34 1n34 n ALA 119 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1n34 n ALA 119 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1n34 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n34 n ARG 120 N -0.39 0.00 -1.52 0.00 1.74 -1.26 -4.68 116.66 110.55 1n34 n ARG 120 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 1n34 n ARG 120 Cb 0.00 -0.09 -0.15 0.00 -1.02 0.00 0.00 32.46 31.20 1n34 n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1n34 n ARG 121 N -2.15 0.25 -2.87 5.56 0.00 -0.90 -4.78 116.66 111.77 1n34 n ARG 121 Ca 0.00 -0.42 -0.41 0.00 -0.00 0.00 0.00 57.85 57.02 1n34 n ARG 121 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 32.46 30.14 1n34 n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1n34 s ALA 122 N 7.10 3.25 0.76 5.13 0.00 -1.26 0.10 121.76 136.84 1n34 s ALA 122 Ca 1.10 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 53.27 1n34 s ALA 122 Cb -0.49 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 19.54 1n34 s ALA 122 CO 0.33 -0.16 1.19 -1.25 0.00 0.00 0.00 175.76 175.87 1n34 s PRO 123 N 0.86 2.00 0.20 0.00 0.04 -1.26 -4.93 135.00 131.90 1n34 s PRO 123 Ca 0.45 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 1n34 s PRO 123 Cb -0.20 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1n34 s PRO 123 CO 0.23 -1.92 1.25 -0.65 0.04 0.00 0.00 177.00 175.95 1n34 s GLN 124 N -4.09 4.44 0.07 4.56 -0.21 -1.26 -5.06 119.66 118.11 1n34 s GLN 124 Ca 0.72 1.97 0.05 0.00 0.02 0.00 0.00 55.36 58.12 1n34 s GLN 124 Cb -0.27 -3.21 -0.03 0.00 1.00 0.00 0.00 33.01 30.50 1n34 s GLN 124 CO 0.48 -0.17 -0.15 1.52 -2.12 0.00 0.00 175.29 174.86 1n34 s TYR 125 N -0.03 1.25 0.13 0.91 -0.85 -1.26 -5.16 117.35 112.34 1n34 s TYR 125 Ca 0.54 -0.44 0.07 0.00 -0.52 0.00 0.00 57.07 56.72 1n34 s TYR 125 Cb -0.35 -0.71 -0.04 0.00 0.38 0.00 0.00 41.96 41.25 1n34 s TYR 125 CO 0.38 0.06 -0.16 -1.54 -1.52 0.00 0.00 175.55 172.77 1n34 s SER 126 N -1.64 2.26 -0.02 -0.18 1.04 -1.26 -5.01 113.70 108.89 1n34 s SER 126 Ca -0.01 -0.80 -0.02 0.00 0.48 0.00 0.00 55.95 55.60 1n34 s SER 126 Cb -0.10 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 65.93 1n34 s SER 126 CO 0.02 -0.08 0.05 0.29 0.98 0.00 0.00 173.24 174.50 1n34 n LYS 127 N 0.59 -4.85 0.00 4.02 4.01 -1.26 -5.37 118.16 115.30 1n34 n LYS 127 Ca -0.16 3.54 0.00 0.00 -0.51 0.00 0.00 58.31 61.18 1n34 n LYS 127 Cb 0.56 -4.58 0.00 0.00 -0.51 0.00 0.00 35.03 30.50 1n34 n LYS 127 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83