#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vna s GLU 2 N 0.00 0.76 0.03 1.64 2.02 -1.26 -1.00 118.70 120.88 1vna s GLU 2 Ca 0.00 -0.74 -0.29 0.00 0.02 0.00 0.00 54.97 53.96 1vna s GLU 2 Cb 0.00 0.31 0.10 0.00 0.10 0.00 0.00 34.13 34.65 1vna s GLU 2 CO 0.00 -0.23 1.19 0.20 0.02 0.00 0.00 175.26 176.44 1vna s GLY 3 N -2.37 -0.36 0.74 -1.39 0.00 -0.98 -4.98 107.32 97.97 1vna s GLY 3 Ca -0.01 0.55 -0.08 0.00 0.00 0.00 0.00 44.72 45.17 1vna s GLY 3 CO -0.06 0.09 1.07 -0.19 0.00 0.00 0.00 173.10 174.01 1vna s TYR 4 N -2.67 2.90 0.00 1.90 2.02 -1.24 -2.63 117.35 117.64 1vna s TYR 4 Ca 0.13 0.53 0.00 0.00 -0.37 0.00 0.00 57.07 57.36 1vna s TYR 4 Cb 0.03 -3.30 0.00 0.00 -0.40 0.00 0.00 41.96 38.29 1vna s TYR 4 CO -0.02 -1.54 0.00 1.28 -1.57 0.00 0.00 175.55 173.70 1vna n LEU 5 N -3.05 0.00 -3.64 -1.29 4.77 -1.00 -1.91 117.00 110.88 1vna n LEU 5 Ca 0.08 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1vna n LEU 5 Cb 0.61 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.68 1vna n LEU 5 CO 0.54 -0.15 0.82 0.54 -1.33 0.00 0.00 177.39 177.81 1vna s VAL 6 N 0.98 0.00 -0.40 4.08 0.11 -1.26 -2.54 120.40 121.37 1vna s VAL 6 Ca 0.00 -0.31 -0.28 0.00 -2.93 0.00 0.00 61.98 58.45 1vna s VAL 6 Cb 0.00 -1.61 -0.00 0.00 -1.53 0.00 0.00 36.38 33.24 1vna s VAL 6 CO 0.00 0.00 1.58 -0.54 -3.33 0.00 0.00 175.10 172.81 1vna s LYS 7 N -2.95 3.43 0.23 1.54 1.02 -0.33 -4.57 119.74 118.11 1vna s LYS 7 Ca 0.10 1.09 -0.17 0.00 0.02 0.00 0.00 55.97 57.02 1vna s LYS 7 Cb 0.00 -4.11 0.26 0.00 -0.52 0.00 0.00 37.83 33.46 1vna s LYS 7 CO -0.03 -1.75 1.54 1.17 -0.92 0.00 0.00 175.35 175.37 1vna n LYS 8 N 8.29 -0.22 -0.06 1.68 4.81 -1.26 -1.28 118.16 130.12 1vna n LYS 8 Ca 0.19 1.53 -0.02 0.00 -0.87 0.00 0.00 58.31 59.14 1vna n LYS 8 Cb 0.48 -2.27 -0.02 0.00 0.02 0.00 0.00 35.03 33.24 1vna n LYS 8 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1vna h SER 9 N 0.00 -0.35 0.00 3.14 4.64 -2.01 -3.45 113.55 115.52 1vna h SER 9 Ca 0.36 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1vna h SER 9 Cb 0.60 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1vna h SER 9 CO -0.99 -0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 174.02 1vna n ASP 10 N -3.31 0.00 0.00 4.97 5.68 -0.40 -5.15 116.55 118.33 1vna n ASP 10 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1vna n ASP 10 Cb 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1vna n ASP 10 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vna n GLY 11 N 0.00 1.34 0.00 6.12 0.00 -1.22 -4.96 105.19 106.47 1vna n GLY 11 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1vna n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vna n LYS 13 N 0.00 0.11 -2.91 0.00 4.01 -1.26 -1.19 118.16 116.92 1vna n LYS 13 Ca 0.00 0.05 -0.40 0.00 -0.51 0.00 0.00 58.31 57.45 1vna n LYS 13 Cb 0.00 -1.23 -0.06 0.00 -0.51 0.00 0.00 35.03 33.23 1vna n LYS 13 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 1vna s TYR 14 N -1.96 3.93 0.18 2.13 6.14 -1.05 -4.41 117.35 122.31 1vna s TYR 14 Ca 0.56 1.72 0.03 0.00 0.64 0.00 0.00 57.07 60.03 1vna s TYR 14 Cb -0.40 -2.84 -0.03 0.00 0.42 0.00 0.00 41.96 39.11 1vna s TYR 14 CO 0.67 0.49 0.31 0.34 0.64 0.00 0.00 175.55 178.00 1vna s ASP 15 N -1.12 6.31 0.00 4.32 -1.08 -1.25 -3.94 116.67 119.91 1vna s ASP 15 Ca 0.38 0.12 0.00 0.00 -0.52 0.00 0.00 52.55 52.53 1vna s ASP 15 Cb -0.24 -1.88 0.00 0.00 -1.46 0.00 0.00 42.92 39.34 1vna s ASP 15 CO 0.28 0.01 0.00 0.00 0.52 0.00 0.00 175.17 175.98 1vna n PHE 17 N 0.00 0.00 -4.25 0.00 7.35 -1.26 -4.96 117.46 114.34 1vna n PHE 17 Ca 0.00 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.38 1vna n PHE 17 Cb 0.00 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.74 1vna n PHE 17 CO 0.00 0.00 0.00 -0.46 -0.76 0.00 0.00 176.76 175.54 1vna s TRP 18 N -1.00 3.00 -0.68 -5.13 -0.00 -1.26 -5.05 118.94 108.82 1vna s TRP 18 Ca 0.00 0.01 -0.22 0.00 -0.00 0.00 0.00 56.10 55.90 1vna s TRP 18 Cb 0.00 -1.60 0.08 0.00 -0.00 0.00 0.00 33.47 31.95 1vna s TRP 18 CO 0.00 0.45 0.95 -0.51 -0.00 0.00 0.00 176.95 177.84 1vna s LEU 19 N -1.84 4.60 0.00 5.86 1.43 -1.26 -4.07 118.68 123.39 1vna s LEU 19 Ca 0.22 -1.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 1vna s LEU 19 Cb -0.11 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1vna s LEU 19 CO 0.13 -1.36 0.00 0.61 0.23 0.00 0.00 176.35 175.96 1vna n GLY 20 N 5.35 0.67 1.28 -3.19 0.00 -1.23 -4.93 105.19 103.13 1vna n GLY 20 Ca -0.02 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1vna n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vna n LYS 21 N 0.00 -0.52 0.00 1.61 4.81 -1.26 -4.91 118.16 117.89 1vna n LYS 21 Ca 0.00 -0.68 0.00 0.00 -0.87 0.00 0.00 58.31 56.76 1vna n LYS 21 Cb 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 35.03 34.59 1vna n LYS 21 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1vna n ASN 22 N -3.31 0.15 0.00 3.14 6.94 -1.26 -4.84 115.26 116.07 1vna n ASN 22 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1vna n ASN 22 Cb 0.19 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 1vna n ASN 22 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1vna n GLU 23 N 0.00 0.00 0.00 -3.83 4.07 -1.26 -1.16 120.64 118.46 1vna n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1vna n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1vna n GLU 23 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1vna n HIS 24 N -1.99 0.00 0.81 4.31 8.25 -1.26 -1.11 115.22 124.23 1vna n HIS 24 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 1vna n HIS 24 Cb 0.00 0.00 0.41 0.00 1.12 0.00 0.00 29.99 31.52 1vna n HIS 24 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vna h ASN 26 N 0.00 0.07 0.13 0.00 -1.24 -0.60 -3.04 115.58 110.90 1vna h ASN 26 Ca 0.00 -0.05 -0.31 0.00 0.71 0.00 0.00 56.30 56.65 1vna h ASN 26 Cb 0.09 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.11 1vna h ASN 26 CO 0.00 0.80 -1.58 0.74 -1.29 0.00 0.00 177.43 176.09 1vna h THR 27 N 0.04 0.94 -0.94 -3.57 2.02 -0.81 -2.99 112.91 107.60 1vna h THR 27 Ca -0.01 -2.41 0.25 0.00 0.77 0.00 0.00 66.41 65.01 1vna h THR 27 Cb 1.33 2.68 -0.05 0.00 -1.74 0.00 0.00 68.15 70.36 1vna h THR 27 CO 0.10 0.76 0.65 -0.08 0.37 0.00 0.00 175.52 177.32 1vna h GLU 28 N -0.17 0.15 0.16 6.66 4.22 -1.62 0.37 114.58 124.35 1vna h GLU 28 Ca -0.33 -0.01 -0.31 0.00 0.08 0.00 0.00 59.36 58.79 1vna h GLU 28 Cb 1.87 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 31.10 1vna h GLU 28 CO 0.08 0.10 -1.45 0.00 -2.18 0.00 0.00 179.01 175.56 1vna n LYS 30 N -3.54 0.64 0.00 0.00 5.02 0.10 -2.34 118.16 118.03 1vna n LYS 30 Ca -0.15 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1vna n LYS 30 Cb 1.05 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 1vna n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vna n ALA 31 N -1.07 0.00 1.25 7.82 0.00 0.51 -4.19 120.51 124.83 1vna n ALA 31 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.73 1vna n ALA 31 Cb 0.11 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.96 1vna n ALA 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1vna n LYS 32 N -1.28 0.77 -0.68 0.00 0.00 -1.26 -2.11 118.16 113.60 1vna n LYS 32 Ca 0.00 -0.43 0.08 0.00 -0.00 0.00 0.00 58.31 57.96 1vna n LYS 32 Cb 0.00 -1.49 0.36 0.00 -0.00 0.00 0.00 35.03 33.90 1vna n LYS 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1vna n ASN 33 N -0.74 4.89 0.17 -5.58 6.94 -1.26 -4.64 115.26 115.04 1vna n ASN 33 Ca 0.12 -2.57 0.00 0.00 -0.02 0.00 0.00 54.58 52.11 1vna n ASN 33 Cb 0.34 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 1vna n ASN 33 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vna n GLN 34 N 0.94 0.00 -3.42 -3.83 6.02 -1.24 -4.82 117.38 111.04 1vna n GLN 34 Ca 0.25 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 57.00 1vna n GLN 34 Cb 0.95 0.00 0.04 0.00 1.02 0.00 0.00 30.24 32.25 1vna n GLN 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vna n GLY 35 N -0.20 -0.52 0.00 1.08 0.00 -0.90 -4.38 105.19 100.28 1vna n GLY 35 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1vna n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vna n GLY 36 N -1.64 0.86 2.04 -0.02 0.00 -1.24 -4.75 105.19 100.44 1vna n GLY 36 Ca -0.03 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1vna n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vna n SER 37 N 0.00 -0.78 -4.64 1.61 3.41 -1.26 -4.92 113.62 107.04 1vna n SER 37 Ca 0.00 0.19 -0.35 0.00 -0.26 0.00 0.00 58.87 58.45 1vna n SER 37 Cb 0.00 1.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.88 1vna n SER 37 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1vna s TYR 38 N -2.00 3.24 0.08 7.33 1.51 -1.26 -5.07 117.35 121.17 1vna s TYR 38 Ca 0.00 0.07 -0.27 0.00 -1.01 0.00 0.00 57.07 55.86 1vna s TYR 38 Cb 0.00 -2.02 0.08 0.00 -0.11 0.00 0.00 41.96 39.91 1vna s TYR 38 CO 0.00 0.21 1.01 0.20 -1.11 0.00 0.00 175.55 175.86 1vna s GLY 39 N 0.12 -0.31 0.00 0.71 0.00 -1.26 -3.39 107.32 103.19 1vna s GLY 39 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.22 1vna s GLY 39 CO 0.01 0.11 0.00 1.58 0.00 0.00 0.00 173.10 174.80 1vna n TYR 40 N -0.41 0.00 -4.51 1.90 4.11 -1.05 -4.88 117.16 112.31 1vna n TYR 40 Ca -0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.58 1vna n TYR 40 Cb 0.61 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.79 1vna n TYR 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1vna s TYR 42 N 0.78 3.53 0.00 0.00 5.04 -0.56 -3.56 117.35 122.59 1vna s TYR 42 Ca -0.12 -2.22 0.00 0.00 -2.44 0.00 0.00 57.07 52.29 1vna s TYR 42 Cb -0.15 -3.51 0.00 0.00 0.35 0.00 0.00 41.96 38.65 1vna s TYR 42 CO 0.02 -0.94 0.00 0.00 -1.34 0.00 0.00 175.55 173.30 1vna n ALA 43 N 4.06 0.00 -1.59 3.97 0.00 -1.26 -3.36 120.51 122.33 1vna n ALA 43 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 1vna n ALA 43 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.85 1vna n ALA 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1vna n PHE 44 N 0.00 0.00 -4.17 0.00 3.72 -1.26 -4.83 117.46 110.93 1vna n PHE 44 Ca 0.00 -0.11 -0.19 0.00 -0.05 0.00 0.00 57.45 57.11 1vna n PHE 44 Cb 0.00 0.27 -0.16 0.00 -0.94 0.00 0.00 39.48 38.66 1vna n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vna s ALA 45 N 0.00 0.59 -0.31 4.37 0.00 -1.22 -2.37 121.76 122.83 1vna s ALA 45 Ca 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.59 1vna s ALA 45 Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1vna s ALA 45 CO 0.00 0.03 1.99 0.00 0.00 0.00 0.00 175.76 177.78 1vna s TRP 47 N 7.77 3.58 -0.02 0.00 -0.11 -0.63 -2.38 118.94 127.16 1vna s TRP 47 Ca 0.88 0.77 -0.04 0.00 1.22 0.00 0.00 56.10 58.93 1vna s TRP 47 Cb -0.26 -2.29 0.00 0.00 -1.50 0.00 0.00 33.47 29.42 1vna s TRP 47 CO 0.33 0.45 0.10 0.00 -4.62 0.00 0.00 176.95 173.21 1vna s GLU 49 N -0.62 1.89 0.00 0.00 8.01 -1.22 -2.32 118.70 124.44 1vna s GLU 49 Ca -0.07 -1.98 0.00 0.00 0.01 0.00 0.00 54.97 52.93 1vna s GLU 49 Cb -0.04 -1.71 0.00 0.00 -4.31 0.00 0.00 34.13 28.07 1vna s GLU 49 CO 0.00 0.08 0.00 0.41 0.01 0.00 0.00 175.26 175.76 1vna n GLY 50 N -0.87 2.31 3.30 -1.39 0.00 -0.17 -4.11 105.19 104.25 1vna n GLY 50 Ca -0.05 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1vna n GLY 50 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1vna n LEU 51 N 0.00 -2.82 -4.68 0.99 -0.00 -1.26 -4.43 117.00 104.80 1vna n LEU 51 Ca 0.00 0.79 -0.30 0.00 -0.00 0.00 0.00 56.01 56.49 1vna n LEU 51 Cb 0.00 -0.89 0.15 0.00 -0.00 0.00 0.00 43.42 42.68 1vna n LEU 51 CO 0.00 -4.23 0.66 -2.16 -0.00 0.00 0.00 177.39 171.66 1vna s PRO 52 N -1.05 1.10 0.39 1.47 0.05 -1.26 -4.37 135.00 131.33 1vna s PRO 52 Ca 0.59 1.13 0.20 0.00 0.05 0.00 0.00 61.00 62.97 1vna s PRO 52 Cb -0.61 -1.77 0.74 0.00 0.05 0.00 0.00 34.50 32.91 1vna s PRO 52 CO 0.63 -2.44 1.76 1.05 0.05 0.00 0.00 177.00 178.05 1vna h GLU 53 N -1.71 0.00 -0.35 4.56 4.11 -1.95 -2.88 114.58 116.37 1vna h GLU 53 Ca -0.48 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.91 1vna h GLU 53 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1vna h GLU 53 CO 0.49 0.34 0.04 0.66 0.07 0.00 0.00 179.01 180.62 1vna h SER 54 N 0.00 0.48 -2.63 3.06 4.64 -1.99 -3.44 113.55 113.68 1vna h SER 54 Ca -0.00 -0.08 -0.60 0.00 -0.47 0.00 0.00 61.79 60.64 1vna h SER 54 Cb 0.86 -0.12 0.11 0.00 -0.31 0.00 0.00 62.40 62.93 1vna h SER 54 CO 0.04 0.52 0.24 0.41 -0.87 0.00 0.00 176.83 177.17 1vna n THR 55 N -4.31 1.89 -1.56 2.95 -1.04 -1.09 -4.73 114.28 106.39 1vna n THR 55 Ca 0.02 -0.47 -0.20 0.00 -2.04 0.00 0.00 64.05 61.35 1vna n THR 55 Cb 0.21 -1.13 -0.06 0.00 -1.82 0.00 0.00 70.33 67.53 1vna n THR 55 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1vna n PRO 56 N 0.80 0.71 -3.74 -2.82 -0.02 -1.26 -4.88 135.00 123.79 1vna n PRO 56 Ca 0.09 -0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 60.86 1vna n PRO 56 Cb 0.32 -3.62 -0.12 0.00 -0.02 0.00 0.00 33.50 30.06 1vna n PRO 56 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1vna s THR 57 N 14.04 -0.03 0.67 3.45 -4.23 -1.26 -4.79 115.64 123.49 1vna s THR 57 Ca 0.95 0.11 -0.17 0.00 -1.18 0.00 0.00 61.69 61.40 1vna s THR 57 Cb -0.15 -0.40 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 1vna s THR 57 CO 0.14 0.04 0.74 -1.22 -0.54 0.00 0.00 174.62 173.79 1vna n TYR 58 N 3.95 -0.02 -2.11 3.99 4.02 -0.80 -3.91 117.16 122.27 1vna n TYR 58 Ca -0.22 0.40 -0.42 0.00 -0.01 0.00 0.00 57.90 57.64 1vna n TYR 58 Cb 0.54 -2.02 -0.03 0.00 -0.02 0.00 0.00 39.34 37.82 1vna n TYR 58 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1vna s PRO 59 N -2.81 4.28 0.93 -0.72 0.04 -1.26 -3.62 135.00 131.85 1vna s PRO 59 Ca 0.71 2.13 -0.12 0.00 0.04 0.00 0.00 61.00 63.76 1vna s PRO 59 Cb -0.38 -3.33 0.15 0.00 0.04 0.00 0.00 34.50 30.98 1vna s PRO 59 CO 0.53 -0.52 1.11 -0.51 0.04 0.00 0.00 177.00 177.64 1vna s LEU 60 N 1.52 1.92 0.16 -3.56 1.43 -1.25 -4.94 118.68 113.96 1vna s LEU 60 Ca 0.66 1.15 -0.19 0.00 -1.03 0.00 0.00 54.13 54.73 1vna s LEU 60 Cb -0.37 -3.46 0.07 0.00 0.03 0.00 0.00 46.19 42.46 1vna s LEU 60 CO 0.30 -2.75 1.66 -0.65 0.23 0.00 0.00 176.35 175.14 1vna h PRO 61 N -1.63 -0.06 0.00 1.29 0.11 -2.00 -3.45 132.00 126.25 1vna h PRO 61 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1vna h PRO 61 Cb 1.32 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1vna h PRO 61 CO 0.59 -0.04 0.00 -1.71 -0.21 0.00 0.00 178.00 176.63 1vna n ASN 62 N -5.32 0.00 -1.44 -2.05 2.85 -1.26 -5.16 115.26 102.88 1vna n ASN 62 Ca 0.01 0.00 0.19 0.00 -0.11 0.00 0.00 54.58 54.68 1vna n ASN 62 Cb 0.23 0.25 -0.05 0.00 1.24 0.00 0.00 39.78 41.45 1vna n ASN 62 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1vna n LYS 63 N -1.97 -2.94 -0.06 1.20 4.76 -1.26 -4.55 118.16 113.35 1vna n LYS 63 Ca 0.00 1.98 0.08 0.00 -2.87 0.00 0.00 58.31 57.50 1vna n LYS 63 Cb 0.00 -3.57 0.11 0.00 -1.84 0.00 0.00 35.03 29.73 1vna n LYS 63 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1vna n SER 64 N -4.25 2.26 -0.38 4.39 2.88 -1.26 -5.18 113.62 112.08 1vna n SER 64 Ca 0.00 -2.87 0.14 0.00 -1.33 0.00 0.00 58.87 54.82 1vna n SER 64 Cb 0.66 -0.35 0.61 0.00 -0.75 0.00 0.00 64.21 64.39 1vna n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81