#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hnu n SER 2 N 0.00 2.50 0.06 7.83 2.88 -1.26 -4.44 113.62 121.19 3hnu n SER 2 Ca 0.00 1.19 0.19 0.00 -1.33 0.00 0.00 58.87 58.92 3hnu n SER 2 Cb 0.00 -1.44 0.72 0.00 -0.75 0.00 0.00 64.21 62.74 3hnu n SER 2 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 3hnu h TYR 3 N 2.84 0.00 0.00 0.66 -0.00 -1.04 -2.15 116.97 117.29 3hnu h TYR 3 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.27 3hnu h TYR 3 Cb 1.29 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.02 3hnu h TYR 3 CO 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 178.16 178.63 3hnu h ALA 4 N 1.71 1.04 0.00 0.10 0.00 -1.89 -1.69 119.26 118.53 3hnu h ALA 4 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hnu h ALA 4 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hnu h ALA 4 CO -0.00 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.05 3hnu n ASP 5 N -3.20 0.61 -1.10 0.00 8.00 -0.81 -3.28 116.55 116.77 3hnu n ASP 5 Ca -0.01 0.64 0.02 0.00 0.71 0.00 0.00 54.79 56.15 3hnu n ASP 5 Cb 0.26 -0.77 0.01 0.00 -0.02 0.00 0.00 41.12 40.60 3hnu n ASP 5 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hnu n SER 6 N -2.16 0.49 -4.24 -2.24 3.41 -0.68 -5.09 113.62 103.11 3hnu n SER 6 Ca 0.03 -1.96 -0.17 0.00 -0.26 0.00 0.00 58.87 56.51 3hnu n SER 6 Cb 0.25 -0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 63.89 3hnu n SER 6 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hnu s SER 7 N -1.52 1.28 0.21 4.04 0.01 -0.91 -0.99 113.70 115.81 3hnu s SER 7 Ca 0.19 -1.43 -0.13 0.00 1.31 0.00 0.00 55.95 55.89 3hnu s SER 7 Cb 0.22 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.68 3hnu s SER 7 CO -0.10 -0.77 0.43 0.00 0.41 0.00 0.00 173.24 173.22 3hnu s ARG 8 N -3.98 1.38 -1.48 12.44 1.70 0.41 -4.89 118.95 124.53 3hnu s ARG 8 Ca 0.37 -1.11 -0.07 0.00 -0.47 0.00 0.00 55.73 54.46 3hnu s ARG 8 Cb 0.07 0.46 0.03 0.00 -0.57 0.00 0.00 34.95 34.93 3hnu s ARG 8 CO 0.14 -0.56 0.67 0.09 -1.08 0.00 0.00 175.30 174.56 3hnu n ASN 9 N -0.32 -5.58 -4.73 -2.89 3.02 -1.26 -1.36 115.26 102.14 3hnu n ASN 9 Ca -0.06 -0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 53.71 3hnu n ASN 9 Cb 0.62 -4.51 -0.03 0.00 -0.61 0.00 0.00 39.78 35.25 3hnu n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hnu s ALA 10 N -3.15 3.47 0.05 5.41 0.00 -1.26 -4.52 121.76 121.76 3hnu s ALA 10 Ca 0.38 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 53.32 3hnu s ALA 10 Cb -0.18 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 3hnu s ALA 10 CO 0.46 -0.46 -0.03 0.14 0.00 0.00 0.00 175.76 175.87 3hnu s VAL 11 N 0.46 0.24 -0.18 0.00 -7.23 0.43 -4.72 120.40 109.39 3hnu s VAL 11 Ca 0.57 -1.56 -0.08 0.00 -1.81 0.00 0.00 61.98 59.10 3hnu s VAL 11 Cb -0.33 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 3hnu s VAL 11 CO 0.34 -0.84 0.09 -0.22 -0.31 0.00 0.00 175.10 174.16 3hnu s LEU 12 N -2.50 4.00 0.00 1.32 2.96 -1.26 -0.86 118.68 122.34 3hnu s LEU 12 Ca 0.01 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.11 3hnu s LEU 12 Cb 0.02 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 3hnu s LEU 12 CO -0.07 0.20 0.09 0.35 -1.32 0.00 0.00 176.35 175.60 3hnu n THR 13 N 3.39 0.00 -3.44 3.68 -2.24 0.65 -4.86 114.28 111.45 3hnu n THR 13 Ca -0.17 -1.16 -0.20 0.00 -2.27 0.00 0.00 64.05 60.25 3hnu n THR 13 Cb 0.52 0.48 0.08 0.00 -2.10 0.00 0.00 70.33 69.31 3hnu n THR 13 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hnu n ASN 14 N -2.01 -4.45 -0.53 3.42 5.15 -1.26 -1.98 115.26 113.61 3hnu n ASN 14 Ca -0.00 -0.53 -0.06 0.00 -0.60 0.00 0.00 54.58 53.39 3hnu n ASN 14 Cb 0.30 -4.74 -0.01 0.00 -0.53 0.00 0.00 39.78 34.79 3hnu n ASN 14 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hnu n GLY 15 N -1.59 0.51 1.14 8.20 0.00 -1.26 -2.91 105.19 109.28 3hnu n GLY 15 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3hnu n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hnu n GLY 16 N -1.71 0.75 0.11 -0.02 0.00 -0.86 -4.95 105.19 98.50 3hnu n GLY 16 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 3hnu n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hnu n ARG 17 N -2.34 0.68 -4.57 1.61 1.74 -0.87 -4.90 116.66 108.00 3hnu n ARG 17 Ca 0.00 0.23 -0.33 0.00 -0.77 0.00 0.00 57.85 56.98 3hnu n ARG 17 Cb 0.00 -1.70 -0.16 0.00 -1.02 0.00 0.00 32.46 29.58 3hnu n ARG 17 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3hnu s THR 18 N -2.56 2.31 -0.14 0.55 2.01 -0.84 0.61 115.64 117.59 3hnu s THR 18 Ca -0.14 -0.89 -0.24 0.00 0.31 0.00 0.00 61.69 60.73 3hnu s THR 18 Cb 0.07 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 3hnu s THR 18 CO 0.78 0.53 0.75 -0.22 -0.69 0.00 0.00 174.62 175.78 3hnu s LEU 19 N 0.86 4.22 -0.05 4.42 2.96 -0.25 -0.26 118.68 130.58 3hnu s LEU 19 Ca -0.05 1.12 0.06 0.00 -0.22 0.00 0.00 54.13 55.04 3hnu s LEU 19 Cb -0.15 -3.13 -0.01 0.00 0.50 0.00 0.00 46.19 43.40 3hnu s LEU 19 CO -0.02 -0.28 -0.25 -0.60 -1.32 0.00 0.00 176.35 173.88 3hnu s ARG 20 N 1.63 2.46 0.24 1.98 3.52 -0.04 -0.75 118.95 127.99 3hnu s ARG 20 Ca 0.36 -0.91 -0.12 0.00 -0.13 0.00 0.00 55.73 54.93 3hnu s ARG 20 Cb -0.17 -2.13 -0.01 0.00 -1.56 0.00 0.00 34.95 31.08 3hnu s ARG 20 CO 0.14 0.41 0.46 0.00 -0.81 0.00 0.00 175.30 175.51 3hnu s ALA 21 N -0.24 -0.20 -0.23 6.12 0.00 -0.50 -0.43 121.76 126.28 3hnu s ALA 21 Ca -0.01 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 3hnu s ALA 21 Cb -0.13 1.07 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 3hnu s ALA 21 CO 0.03 -0.84 0.13 -1.21 0.00 0.00 0.00 175.76 173.87 3hnu s GLU 22 N -4.02 4.02 -0.14 0.00 2.02 -0.47 -0.91 118.70 119.21 3hnu s GLU 22 Ca 0.23 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.93 3hnu s GLU 22 Cb -0.00 -3.44 -0.00 0.00 0.10 0.00 0.00 34.13 30.79 3hnu s GLU 22 CO 0.09 0.10 -0.18 0.00 0.02 0.00 0.00 175.26 175.29 3hnu s ARG 24 N 0.63 4.72 0.40 0.00 3.52 -0.16 -0.72 118.95 127.34 3hnu s ARG 24 Ca -0.10 1.64 0.06 0.00 -0.13 0.00 0.00 55.73 57.20 3hnu s ARG 24 Cb -0.16 -3.25 0.06 0.00 -1.56 0.00 0.00 34.95 30.04 3hnu s ARG 24 CO 0.03 0.31 0.49 0.27 -0.81 0.00 0.00 175.30 175.58 3hnu n ASN 25 N 1.62 1.65 0.22 -2.12 0.23 0.30 -3.28 115.26 113.88 3hnu n ASN 25 Ca -0.01 -2.12 0.07 0.00 -0.53 0.00 0.00 54.58 51.99 3hnu n ASN 25 Cb 0.46 -0.23 0.52 0.00 -2.08 0.00 0.00 39.78 38.46 3hnu n ASN 25 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hnu h ALA 26 N 0.35 1.39 0.00 -2.53 0.00 -1.88 -0.18 119.26 116.41 3hnu h ALA 26 Ca -0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hnu h ALA 26 Cb 0.87 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hnu h ALA 26 CO 0.29 0.29 0.00 -0.44 0.00 0.00 0.00 179.25 179.40 3hnu h ASP 27 N 0.00 0.00 0.00 0.00 3.32 -1.98 -3.47 116.42 114.29 3hnu h ASP 27 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hnu h ASP 27 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3hnu h ASP 27 CO 0.03 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 3hnu n GLY 28 N 0.53 0.81 3.94 2.75 0.00 -0.08 -5.09 105.19 108.05 3hnu n GLY 28 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3hnu n GLY 28 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hnu s ASN 29 N -2.28 5.51 -0.16 1.61 0.01 -1.26 -4.81 114.94 113.56 3hnu s ASN 29 Ca 0.00 0.45 0.00 0.00 -0.71 0.00 0.00 52.86 52.61 3hnu s ASN 29 Cb 0.00 -1.46 0.00 0.00 0.41 0.00 0.00 41.25 40.20 3hnu s ASN 29 CO 0.00 -1.04 -0.16 0.26 -1.51 0.00 0.00 177.10 174.65 3hnu s TRP 30 N -2.87 2.78 -0.12 2.20 0.52 -1.26 -0.54 118.94 119.65 3hnu s TRP 30 Ca 0.54 -1.17 0.00 0.00 0.02 0.00 0.00 56.10 55.49 3hnu s TRP 30 Cb -0.10 -1.90 -0.02 0.00 -1.15 0.00 0.00 33.47 30.30 3hnu s TRP 30 CO 0.42 -0.55 -0.13 0.08 0.02 0.00 0.00 176.95 176.78 3hnu s VAL 31 N 0.95 3.03 -0.03 4.03 1.01 0.11 -4.82 120.40 124.67 3hnu s VAL 31 Ca -0.03 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 3hnu s VAL 31 Cb -0.15 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3hnu s VAL 31 CO -0.03 0.53 1.19 -0.89 0.00 0.00 0.00 175.10 175.90 3hnu s THR 32 N 0.26 4.25 0.00 3.92 2.01 -1.26 -0.31 115.64 124.51 3hnu s THR 32 Ca -0.09 1.58 0.02 0.00 0.31 0.00 0.00 61.69 63.51 3hnu s THR 32 Cb -0.16 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 3hnu s THR 32 CO 0.05 0.02 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.38 3hnu s SER 33 N 1.39 0.94 0.09 3.53 0.15 -0.09 -4.97 113.70 114.74 3hnu s SER 33 Ca 0.56 -0.20 0.09 0.00 0.70 0.00 0.00 55.95 57.10 3hnu s SER 33 Cb -0.25 -0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 63.94 3hnu s SER 33 CO 0.23 0.06 -0.25 -1.61 1.20 0.00 0.00 173.24 172.87 3hnu s GLU 34 N -0.40 1.42 -0.05 5.44 2.02 -1.26 -1.42 118.70 124.46 3hnu s GLU 34 Ca 0.01 -1.20 -0.01 0.00 0.02 0.00 0.00 54.97 53.79 3hnu s GLU 34 Cb -0.04 -1.75 0.03 0.00 0.10 0.00 0.00 34.13 32.47 3hnu s GLU 34 CO -0.00 0.43 0.04 -1.17 0.02 0.00 0.00 175.26 174.57 3hnu s LEU 35 N -1.72 0.41 -0.52 1.80 2.96 0.07 -4.83 118.68 116.85 3hnu s LEU 35 Ca 0.11 0.03 -0.28 0.00 -0.22 0.00 0.00 54.13 53.77 3hnu s LEU 35 Cb -0.10 -0.21 0.01 0.00 0.50 0.00 0.00 46.19 46.39 3hnu s LEU 35 CO 0.04 -0.21 1.43 -0.62 -1.32 0.00 0.00 176.35 175.67 3hnu s ASP 36 N 1.94 6.15 0.57 3.68 -1.08 -1.26 -1.09 116.67 125.58 3hnu s ASP 36 Ca 0.03 0.44 0.35 0.00 -0.52 0.00 0.00 52.55 52.84 3hnu s ASP 36 Cb -0.12 -2.54 1.68 0.00 -1.46 0.00 0.00 42.92 40.48 3hnu s ASP 36 CO -0.03 -1.66 2.12 -0.07 0.52 0.00 0.00 175.17 176.04 3hnu h LEU 37 N 13.00 0.00 -0.38 -1.34 3.38 -0.20 -1.48 115.31 128.30 3hnu h LEU 37 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3hnu h LEU 37 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hnu h LEU 37 CO 1.15 0.05 0.00 0.47 0.09 0.00 0.00 178.44 180.20 3hnu n ASP 38 N -3.26 0.43 0.06 -0.43 8.00 -1.25 -0.68 116.55 119.41 3hnu n ASP 38 Ca -0.01 0.60 0.13 0.00 0.71 0.00 0.00 54.79 56.22 3hnu n ASP 38 Cb 0.22 -0.69 0.48 0.00 -0.02 0.00 0.00 41.12 41.11 3hnu n ASP 38 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hnu n THR 39 N -1.96 0.31 -0.46 -3.53 -2.24 -0.56 -0.35 114.28 105.50 3hnu n THR 39 Ca 0.03 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3hnu n THR 39 Cb 0.23 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 3hnu n THR 39 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3hnu n ILE 40 N -1.91 0.00 -4.61 2.28 -5.35 -0.73 -4.72 119.36 104.33 3hnu n ILE 40 Ca 0.06 -0.02 -0.25 0.00 -0.27 0.00 0.00 62.75 62.26 3hnu n ILE 40 Cb 0.39 1.46 -0.17 0.00 -1.74 0.00 0.00 39.64 39.58 3hnu n ILE 40 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3hnu s ILE 41 N -0.02 1.22 0.48 7.28 1.01 0.14 -0.23 121.20 131.08 3hnu s ILE 41 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.18 3hnu s ILE 41 Cb 0.00 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 3hnu s ILE 41 CO 0.00 0.38 0.28 -0.83 0.00 0.00 0.00 174.94 174.77 3hnu s GLY 42 N 0.69 2.41 -0.35 6.18 0.00 0.01 -2.03 107.32 114.22 3hnu s GLY 42 Ca -0.14 -1.52 -0.05 0.00 0.00 0.00 0.00 44.72 43.01 3hnu s GLY 42 CO 0.04 -1.93 0.12 0.21 0.00 0.00 0.00 173.10 171.53 3hnu s ASN 43 N -4.09 5.27 -0.45 1.64 2.47 -1.26 -0.89 114.94 117.62 3hnu s ASN 43 Ca 0.35 -1.35 -0.10 0.00 0.42 0.00 0.00 52.86 52.19 3hnu s ASN 43 Cb 0.00 -1.85 0.10 0.00 -1.45 0.00 0.00 41.25 38.05 3hnu s ASN 43 CO 0.20 -0.38 0.32 0.21 -3.72 0.00 0.00 177.10 173.74 3hnu s ASN 44 N 1.54 5.71 -1.47 -4.21 3.84 0.28 -4.63 114.94 116.00 3hnu s ASN 44 Ca -0.00 -1.73 -0.06 0.00 0.21 0.00 0.00 52.86 51.28 3hnu s ASN 44 Cb -0.21 -2.01 0.05 0.00 -0.55 0.00 0.00 41.25 38.53 3hnu s ASN 44 CO 0.01 -0.64 0.64 -0.67 -2.79 0.00 0.00 177.10 173.66 3hnu n ASP 45 N 4.93 -1.87 0.00 -4.21 2.03 -1.26 -1.46 116.55 114.71 3hnu n ASP 45 Ca -0.09 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.29 3hnu n ASP 45 Cb 0.42 -3.33 0.00 0.00 -0.72 0.00 0.00 41.12 37.49 3hnu n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hnu n GLY 46 N -1.74 0.70 3.29 0.27 0.00 -1.19 -4.57 105.19 101.95 3hnu n GLY 46 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 3hnu n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hnu s HIS 47 N -2.37 2.00 0.36 1.61 3.76 -0.53 -4.73 115.29 115.37 3hnu s HIS 47 Ca 0.00 -0.39 -0.28 0.00 -0.15 0.00 0.00 55.06 54.24 3hnu s HIS 47 Cb 0.00 -1.17 -0.11 0.00 1.11 0.00 0.00 32.58 32.41 3hnu s HIS 47 CO 0.00 0.13 1.44 -0.06 -0.85 0.00 0.00 174.74 175.40 3hnu s PHE 48 N -0.86 2.73 -0.14 1.40 0.08 -1.26 -0.56 117.98 119.37 3hnu s PHE 48 Ca 0.09 1.22 -0.03 0.00 0.12 0.00 0.00 56.93 58.33 3hnu s PHE 48 Cb -0.09 -3.92 0.05 0.00 -0.57 0.00 0.00 43.02 38.48 3hnu s PHE 48 CO 0.02 -2.68 0.04 -1.14 -0.10 0.00 0.00 175.22 171.37 3hnu s GLN 49 N -1.92 0.41 0.32 0.44 0.74 -0.07 -4.82 119.66 114.76 3hnu s GLN 49 Ca 0.52 -0.13 -0.29 0.00 0.05 0.00 0.00 55.36 55.51 3hnu s GLN 49 Cb -0.45 -1.62 -0.11 0.00 1.10 0.00 0.00 33.01 31.94 3hnu s GLN 49 CO 0.59 -0.54 1.51 -1.58 -0.55 0.00 0.00 175.29 174.72 3hnu s TRP 50 N 1.99 2.76 0.00 1.67 0.52 -1.26 -0.81 118.94 123.81 3hnu s TRP 50 Ca 0.02 1.01 0.00 0.00 0.02 0.00 0.00 56.10 57.15 3hnu s TRP 50 Cb -0.15 -3.98 0.00 0.00 -1.15 0.00 0.00 33.47 28.18 3hnu s TRP 50 CO -0.07 -3.10 0.00 0.41 0.02 0.00 0.00 176.95 174.21 3hnu n GLY 51 N 1.45 1.55 1.21 0.98 0.00 0.68 -4.90 105.19 106.16 3hnu n GLY 51 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3hnu n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hnu n GLY 52 N -2.00 -1.30 3.12 -0.02 0.00 -0.90 -4.87 105.19 99.22 3hnu n GLY 52 Ca 0.00 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 3hnu n GLY 52 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hnu s GLN 53 N -3.91 0.62 -1.18 1.61 -2.07 -1.22 -2.14 119.66 111.36 3hnu s GLN 53 Ca 0.24 -0.80 -0.05 0.00 -1.82 0.00 0.00 55.36 52.94 3hnu s GLN 53 Cb -0.01 0.24 0.01 0.00 -1.09 0.00 0.00 33.01 32.16 3hnu s GLN 53 CO 0.17 -0.16 0.60 0.09 -1.32 0.00 0.00 175.29 174.66 3hnu n ASN 54 N 0.65 -5.23 -0.09 12.60 5.03 0.53 -4.27 115.26 124.48 3hnu n ASN 54 Ca -0.18 -0.28 0.21 0.00 0.87 0.00 0.00 54.58 55.20 3hnu n ASN 54 Cb 0.59 -4.02 0.65 0.00 -1.02 0.00 0.00 39.78 35.98 3hnu n ASN 54 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 3hnu h PHE 55 N -1.36 0.13 0.00 3.10 -0.00 -1.67 -2.17 116.94 114.98 3hnu h PHE 55 Ca -0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.53 3hnu h PHE 55 Cb 1.29 -0.04 -0.00 0.00 -0.00 0.00 0.00 35.95 37.19 3hnu h PHE 55 CO 0.41 0.05 -0.10 1.79 -0.00 0.00 0.00 178.31 180.46 3hnu h THR 56 N 0.11 0.38 0.00 0.88 1.35 -1.89 -2.81 112.91 110.93 3hnu h THR 56 Ca 0.33 -0.55 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 3hnu h THR 56 Cb 1.13 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3hnu h THR 56 CO -0.04 0.10 -0.09 -0.33 -0.25 0.00 0.00 175.52 174.90 3hnu h GLU 57 N 0.00 0.00 -0.28 4.72 5.08 -1.78 -2.73 114.58 119.59 3hnu h GLU 57 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 3hnu h GLU 57 Cb 0.39 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.35 3hnu h GLU 57 CO 0.01 0.09 -0.84 0.25 -1.00 0.00 0.00 179.01 177.52 3hnu n THR 58 N -3.41 1.57 -4.33 1.13 -2.24 -1.06 -5.05 114.28 100.88 3hnu n THR 58 Ca -0.01 -2.89 -0.23 0.00 -2.27 0.00 0.00 64.05 58.65 3hnu n THR 58 Cb 0.25 0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 68.51 3hnu n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hnu s ALA 59 N -2.68 1.60 0.23 6.98 0.00 -1.03 -1.80 121.76 125.06 3hnu s ALA 59 Ca 0.38 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 51.29 3hnu s ALA 59 Cb 0.37 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 3hnu s ALA 59 CO -0.06 0.31 -0.10 -1.21 0.00 0.00 0.00 175.76 174.70 3hnu s GLU 60 N -1.67 1.41 -1.27 0.00 2.02 0.06 -4.91 118.70 114.34 3hnu s GLU 60 Ca 0.04 -1.67 -0.02 0.00 0.02 0.00 0.00 54.97 53.35 3hnu s GLU 60 Cb -0.10 -1.10 -0.01 0.00 0.10 0.00 0.00 34.13 33.03 3hnu s GLU 60 CO 0.03 0.12 0.75 -0.25 0.02 0.00 0.00 175.26 175.92 3hnu n ASP 61 N -0.46 -1.88 -4.69 -0.19 8.00 -1.26 -0.33 116.55 115.74 3hnu n ASP 61 Ca -0.07 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.21 3hnu n ASP 61 Cb 0.62 -4.19 -0.03 0.00 -0.02 0.00 0.00 41.12 37.50 3hnu n ASP 61 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hnu s ILE 62 N -3.61 4.86 0.18 0.53 1.01 -1.26 -4.12 121.20 118.79 3hnu s ILE 62 Ca 0.06 1.87 -0.14 0.00 0.00 0.00 0.00 60.65 62.44 3hnu s ILE 62 Cb -0.02 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.23 3hnu s ILE 62 CO 0.80 0.07 0.42 0.00 0.00 0.00 0.00 174.94 176.23 3hnu s ARG 63 N 1.71 1.26 -0.00 2.79 3.03 -0.22 -4.93 118.95 122.58 3hnu s ARG 63 Ca 0.45 -0.97 0.00 0.00 2.03 0.00 0.00 55.73 57.25 3hnu s ARG 63 Cb -0.18 0.46 0.00 0.00 -1.03 0.00 0.00 34.95 34.20 3hnu s ARG 63 CO 0.18 -0.50 -0.01 0.12 -1.13 0.00 0.00 175.30 173.96 3hnu s PHE 64 N -3.90 0.10 -0.14 5.89 5.36 -1.26 -0.62 117.98 123.40 3hnu s PHE 64 Ca 0.11 -0.01 0.01 0.00 -0.96 0.00 0.00 56.93 56.08 3hnu s PHE 64 Cb 0.01 -0.07 0.02 0.00 -0.34 0.00 0.00 43.02 42.63 3hnu s PHE 64 CO -0.03 -0.01 -0.17 -1.58 -1.46 0.00 0.00 175.22 171.98 3hnu s HIS 65 N 0.02 2.35 0.07 10.12 5.65 -0.32 -4.91 115.29 128.27 3hnu s HIS 65 Ca -0.00 -1.27 0.31 0.00 0.25 0.00 0.00 55.06 54.35 3hnu s HIS 65 Cb -0.01 -1.67 1.20 0.00 -1.18 0.00 0.00 32.58 30.92 3hnu s HIS 65 CO -0.00 -0.65 1.93 -1.00 -0.65 0.00 0.00 174.74 174.37 3hnu h PRO 66 N 7.75 0.00 -1.21 2.88 0.13 -1.84 -0.39 132.00 139.32 3hnu h PRO 66 Ca -0.37 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.37 3hnu h PRO 66 Cb 1.16 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.95 3hnu h PRO 66 CO 0.55 0.04 -0.99 1.63 -0.23 0.00 0.00 178.00 179.00 3hnu n LYS 67 N -3.15 1.05 -2.74 0.86 5.02 -1.21 -3.24 118.16 114.75 3hnu n LYS 67 Ca 0.01 -2.96 -0.40 0.00 -2.02 0.00 0.00 58.31 52.94 3hnu n LYS 67 Cb 0.35 -1.31 -0.05 0.00 -0.02 0.00 0.00 35.03 33.99 3hnu n LYS 67 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3hnu s GLU 68 N -1.91 4.80 0.81 1.97 2.12 1.00 -4.41 118.70 123.08 3hnu s GLU 68 Ca 0.32 1.48 0.00 0.00 0.36 0.00 0.00 54.97 57.13 3hnu s GLU 68 Cb 0.37 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.45 3hnu s GLU 68 CO -0.04 0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.50 3hnu n GLY 69 N 1.75 -2.01 0.20 -1.50 0.00 -1.26 -1.61 105.19 100.75 3hnu n GLY 69 Ca -0.01 -1.40 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 3hnu n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hnu h ALA 70 N -0.19 1.16 0.00 4.61 0.00 -2.01 -1.16 119.26 121.67 3hnu h ALA 70 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hnu h ALA 70 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hnu h ALA 70 CO 0.00 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.81 3hnu n ALA 71 N -2.47 2.13 -3.72 0.00 0.00 -1.26 -4.96 120.51 110.22 3hnu n ALA 71 Ca -0.01 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.05 3hnu n ALA 71 Cb 0.46 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.54 3hnu n ALA 71 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hnu n GLU 72 N -1.43 -1.11 -4.19 0.00 1.02 -0.44 -4.96 120.64 109.53 3hnu n GLU 72 Ca 0.08 0.60 -0.27 0.00 -0.02 0.00 0.00 57.16 57.55 3hnu n GLU 72 Cb 0.25 -3.42 -0.08 0.00 -0.02 0.00 0.00 31.44 28.18 3hnu n GLU 72 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3hnu s GLN 73 N -5.58 2.44 -0.75 3.49 -1.52 -0.64 -4.50 119.66 112.60 3hnu s GLN 73 Ca 0.27 -1.07 -0.25 0.00 -1.95 0.00 0.00 55.36 52.36 3hnu s GLN 73 Cb -0.12 -2.39 0.05 0.00 -0.22 0.00 0.00 33.01 30.33 3hnu s GLN 73 CO 0.88 0.47 1.21 -1.25 -0.25 0.00 0.00 175.29 176.35 3hnu s PRO 74 N -2.88 3.22 -0.21 2.91 0.04 -1.20 -0.00 135.00 136.88 3hnu s PRO 74 Ca 0.27 -0.54 -0.05 0.00 0.04 0.00 0.00 61.00 60.73 3hnu s PRO 74 Cb -0.10 -4.34 -0.02 0.00 0.04 0.00 0.00 34.50 30.09 3hnu s PRO 74 CO 0.19 -2.06 -0.01 0.42 0.04 0.00 0.00 177.00 175.58 3hnu s ILE 75 N 5.12 3.73 -0.19 0.56 -1.09 -0.16 -0.74 121.20 128.44 3hnu s ILE 75 Ca 0.33 -0.38 -0.12 0.00 -2.23 0.00 0.00 60.65 58.24 3hnu s ILE 75 Cb -0.09 -2.69 -0.05 0.00 -1.58 0.00 0.00 42.46 38.04 3hnu s ILE 75 CO 0.10 0.42 0.23 -0.22 -1.23 0.00 0.00 174.94 174.24 3hnu s LEU 76 N 1.24 4.21 0.07 2.97 2.96 -0.30 -1.17 118.68 128.66 3hnu s LEU 76 Ca 0.03 0.36 0.09 0.00 -0.22 0.00 0.00 54.13 54.39 3hnu s LEU 76 Cb -0.15 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 3hnu s LEU 76 CO 0.00 0.11 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.78 3hnu s ARG 77 N 0.59 1.41 0.13 1.98 0.52 0.21 -0.84 118.95 122.94 3hnu s ARG 77 Ca 0.13 -1.10 -0.24 0.00 -0.52 0.00 0.00 55.73 54.00 3hnu s ARG 77 Cb -0.12 -1.64 0.08 0.00 0.52 0.00 0.00 34.95 33.79 3hnu s ARG 77 CO 0.02 0.41 0.65 0.00 0.02 0.00 0.00 175.30 176.40 3hnu s ALA 78 N -0.93 -1.64 -0.26 2.13 0.00 -0.77 -1.06 121.76 119.23 3hnu s ALA 78 Ca 0.09 0.58 -0.20 0.00 0.00 0.00 0.00 51.96 52.44 3hnu s ALA 78 Cb -0.10 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 3hnu s ALA 78 CO 0.03 -0.76 0.60 1.03 0.00 0.00 0.00 175.76 176.66 3hnu s ARG 79 N -3.64 4.10 -0.09 0.00 0.52 0.55 -0.67 118.95 119.71 3hnu s ARG 79 Ca 0.02 0.48 -0.01 0.00 -0.52 0.00 0.00 55.73 55.70 3hnu s ARG 79 Cb -0.01 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 3hnu s ARG 79 CO -0.12 -0.40 -0.05 -0.51 0.02 0.00 0.00 175.30 174.24 3hnu s LEU 80 N 2.45 3.27 -0.09 2.53 1.43 -0.32 -0.76 118.68 127.19 3hnu s LEU 80 Ca 0.25 -0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 53.07 3hnu s LEU 80 Cb -0.16 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3hnu s LEU 80 CO 0.09 0.32 0.83 -0.60 0.23 0.00 0.00 176.35 177.22 3hnu s ARG 81 N -0.53 4.42 0.84 1.70 3.52 -0.75 -1.51 118.95 126.64 3hnu s ARG 81 Ca 0.08 1.09 -0.10 0.00 -0.13 0.00 0.00 55.73 56.67 3hnu s ARG 81 Cb -0.12 -3.50 0.14 0.00 -1.56 0.00 0.00 34.95 29.92 3hnu s ARG 81 CO 0.02 -0.12 1.17 0.16 -0.81 0.00 0.00 175.30 175.72 3hnu s ASP 82 N 0.99 3.87 0.07 -2.12 1.47 0.40 -3.14 116.67 118.21 3hnu s ASP 82 Ca 0.42 0.22 0.17 0.00 1.18 0.00 0.00 52.55 54.54 3hnu s ASP 82 Cb -0.18 -0.50 0.73 0.00 -0.34 0.00 0.00 42.92 42.62 3hnu s ASP 82 CO 0.19 -2.23 1.54 0.00 0.68 0.00 0.00 175.17 175.35 3hnu n ASN 84 N -1.70 1.90 0.00 0.00 3.02 -1.26 -4.96 115.26 112.27 3hnu n ASN 84 Ca 0.03 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.84 3hnu n ASN 84 Cb 0.19 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3hnu n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hnu n GLY 85 N 1.18 0.55 3.85 7.41 0.00 -0.19 -5.04 105.19 112.95 3hnu n GLY 85 Ca 0.17 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 3hnu n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hnu s GLU 86 N -0.65 3.33 0.17 1.61 2.02 -1.26 -4.81 118.70 119.11 3hnu s GLU 86 Ca 0.00 -0.26 -0.15 0.00 0.02 0.00 0.00 54.97 54.57 3hnu s GLU 86 Cb 0.00 -3.07 -0.07 0.00 0.10 0.00 0.00 34.13 31.09 3hnu s GLU 86 CO 0.00 0.72 0.59 -0.06 0.02 0.00 0.00 175.26 176.53 3hnu s PHE 87 N -1.11 3.60 0.00 1.61 0.40 -1.26 -0.45 117.98 120.77 3hnu s PHE 87 Ca 0.19 1.12 0.02 0.00 -0.60 0.00 0.00 56.93 57.66 3hnu s PHE 87 Cb -0.12 -2.42 -0.01 0.00 0.51 0.00 0.00 43.02 40.99 3hnu s PHE 87 CO 0.09 0.40 -0.05 -1.01 0.70 0.00 0.00 175.22 175.35 3hnu s HIS 88 N -1.50 0.45 0.05 0.36 3.76 -0.57 -4.93 115.29 112.92 3hnu s HIS 88 Ca 0.39 -0.12 -0.33 0.00 -0.15 0.00 0.00 55.06 54.85 3hnu s HIS 88 Cb -0.15 -0.29 -0.12 0.00 1.11 0.00 0.00 32.58 33.13 3hnu s HIS 88 CO 0.19 -0.02 1.76 -0.25 -0.85 0.00 0.00 174.74 175.58 3hnu n ASP 89 N 2.82 3.45 -4.23 1.40 8.00 -1.26 -1.17 116.55 125.55 3hnu n ASP 89 Ca -0.14 1.01 -0.13 0.00 0.71 0.00 0.00 54.79 56.25 3hnu n ASP 89 Cb 0.58 -1.43 -0.10 0.00 -0.02 0.00 0.00 41.12 40.15 3hnu n ASP 89 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3hnu s ARG 90 N 2.64 1.10 0.02 -1.24 1.81 0.15 -4.95 118.95 118.48 3hnu s ARG 90 Ca 0.85 -1.53 -0.04 0.00 -1.72 0.00 0.00 55.73 53.29 3hnu s ARG 90 Cb -0.64 -0.19 -0.01 0.00 -0.45 0.00 0.00 34.95 33.66 3hnu s ARG 90 CO 0.43 -0.16 0.06 0.16 -0.68 0.00 0.00 175.30 175.11 3hnu s ASP 91 N -3.16 0.15 -0.05 0.23 1.47 -1.26 -1.85 116.67 112.19 3hnu s ASP 91 Ca 0.25 -0.39 -0.04 0.00 1.18 0.00 0.00 52.55 53.55 3hnu s ASP 91 Cb 0.06 0.16 0.02 0.00 -0.34 0.00 0.00 42.92 42.82 3hnu s ASP 91 CO 0.04 -0.36 0.13 0.54 0.68 0.00 0.00 175.17 176.20 3hnu s VAL 92 N -1.62 -0.01 -0.22 2.11 0.11 -0.02 -4.87 120.40 115.87 3hnu s VAL 92 Ca -0.14 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.74 3hnu s VAL 92 Cb -0.08 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 3hnu s VAL 92 CO -0.00 0.02 0.68 0.21 -3.33 0.00 0.00 175.10 172.67 3hnu s ASN 93 N 0.31 6.70 -0.00 3.54 3.84 -1.26 -1.15 114.94 126.91 3hnu s ASN 93 Ca -0.02 0.85 0.01 0.00 0.21 0.00 0.00 52.86 53.91 3hnu s ASN 93 Cb -0.03 -2.37 0.03 0.00 -0.55 0.00 0.00 41.25 38.32 3hnu s ASN 93 CO -0.01 -0.36 0.85 0.18 -2.79 0.00 0.00 177.10 174.97 3hnu n LEU 94 N 5.47 0.51 0.00 3.21 4.77 0.08 -4.03 117.00 127.01 3hnu n LEU 94 Ca 0.01 -0.25 0.09 0.00 -0.03 0.00 0.00 56.01 55.82 3hnu n LEU 94 Cb 0.49 -0.19 0.50 0.00 -2.33 0.00 0.00 43.42 41.89 3hnu n LEU 94 CO 0.44 0.12 0.73 -0.46 -1.33 0.00 0.00 177.39 176.89 3hnu n ASN 95 N -0.27 0.00 0.26 -1.43 0.23 -1.26 -1.82 115.26 110.97 3hnu n ASN 95 Ca 0.01 -0.44 0.13 0.00 -0.53 0.00 0.00 54.58 53.75 3hnu n ASN 95 Cb 0.11 -0.05 0.69 0.00 -2.08 0.00 0.00 39.78 38.45 3hnu n ASN 95 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3hnu h ARG 96 N 0.00 0.00 -6.46 -3.83 2.47 -1.95 -3.35 114.38 101.27 3hnu h ARG 96 Ca 0.00 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.19 3hnu h ARG 96 Cb 0.03 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 3hnu h ARG 96 CO 0.00 0.13 0.34 0.42 0.56 0.00 0.00 179.97 181.42 3hnu s ILE 97 N -3.99 4.70 0.25 2.04 1.01 -0.76 -4.76 121.20 119.69 3hnu s ILE 97 Ca -0.02 2.01 0.08 0.00 0.00 0.00 0.00 60.65 62.72 3hnu s ILE 97 Cb 0.12 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3hnu s ILE 97 CO 0.58 0.25 0.15 -1.10 0.00 0.00 0.00 174.94 174.82 3hnu s GLN 98 N 0.48 2.78 -0.45 2.79 -0.21 0.58 -0.53 119.66 125.10 3hnu s GLN 98 Ca 0.48 -1.13 -0.13 0.00 0.02 0.00 0.00 55.36 54.60 3hnu s GLN 98 Cb -0.22 -2.48 0.07 0.00 1.00 0.00 0.00 33.01 31.38 3hnu s GLN 98 CO 0.28 0.40 0.34 1.21 -2.12 0.00 0.00 175.29 175.39 3hnu s ASN 99 N -3.78 5.98 -0.67 5.90 2.47 -1.26 -1.15 114.94 122.42 3hnu s ASN 99 Ca 0.32 -1.32 -0.15 0.00 0.42 0.00 0.00 52.86 52.14 3hnu s ASN 99 Cb -0.08 -2.12 0.17 0.00 -1.45 0.00 0.00 41.25 37.78 3hnu s ASN 99 CO 0.24 -0.58 0.62 -0.69 -3.72 0.00 0.00 177.10 172.97 3hnu s VAL 100 N 1.58 5.36 -1.49 -5.21 1.01 0.16 -4.67 120.40 117.15 3hnu s VAL 100 Ca 0.04 -1.98 -0.07 0.00 0.00 0.00 0.00 61.98 59.96 3hnu s VAL 100 Cb -0.23 -4.38 0.06 0.00 0.00 0.00 0.00 36.38 31.83 3hnu s VAL 100 CO 0.06 -0.94 0.69 -3.20 0.00 0.00 0.00 175.10 171.70 3hnu n ASN 101 N 4.62 -2.20 0.00 3.32 5.15 -1.26 -1.66 115.26 123.23 3hnu n ASN 101 Ca -0.01 -0.92 0.00 0.00 -0.60 0.00 0.00 54.58 53.05 3hnu n ASN 101 Cb 0.43 -3.37 0.00 0.00 -0.53 0.00 0.00 39.78 36.31 3hnu n ASN 101 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hnu n GLY 102 N -1.71 0.61 3.08 8.20 0.00 -1.20 -4.69 105.19 109.49 3hnu n GLY 102 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 3hnu n GLY 102 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hnu s ARG 103 N -0.97 1.77 -0.15 1.61 3.52 -0.66 -4.64 118.95 119.42 3hnu s ARG 103 Ca 0.00 -0.52 -0.29 0.00 -0.13 0.00 0.00 55.73 54.78 3hnu s ARG 103 Cb 0.00 -1.49 -0.03 0.00 -1.56 0.00 0.00 34.95 31.87 3hnu s ARG 103 CO 0.00 0.14 1.51 -0.51 -0.81 0.00 0.00 175.30 175.63 3hnu s LEU 104 N 0.32 4.13 0.05 -0.88 1.43 -1.26 -0.66 118.68 121.81 3hnu s LEU 104 Ca -0.09 1.85 0.04 0.00 -1.03 0.00 0.00 54.13 54.90 3hnu s LEU 104 Cb -0.13 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 3hnu s LEU 104 CO 0.03 -0.98 -0.12 0.68 0.23 0.00 0.00 176.35 176.19 3hnu s VAL 105 N 4.24 0.96 -2.86 -1.59 -7.23 -0.30 -4.83 120.40 108.78 3hnu s VAL 105 Ca 0.66 -1.12 0.25 0.00 -1.81 0.00 0.00 61.98 59.97 3hnu s VAL 105 Cb -0.27 -0.92 0.29 0.00 0.56 0.00 0.00 36.38 36.04 3hnu s VAL 105 CO 0.25 -0.18 1.39 0.33 -0.31 0.00 0.00 175.10 176.58