#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nen s ASN 4 N 0.00 6.77 0.39 6.43 3.84 -1.26 -4.92 114.94 126.18 1nen s ASN 4 Ca 0.00 2.38 0.05 0.00 0.21 0.00 0.00 52.86 55.50 1nen s ASN 4 Cb 0.00 -2.58 0.77 0.00 -0.55 0.00 0.00 41.25 38.89 1nen s ASN 4 CO 0.00 -0.71 2.04 0.00 -2.79 0.00 0.00 177.10 175.64 1nen h ALA 5 N 6.97 1.65 0.10 1.71 0.00 -1.99 -2.83 119.26 124.86 1nen h ALA 5 Ca -0.42 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 1nen h ALA 5 Cb 1.21 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1nen h ALA 5 CO 0.88 0.32 -1.17 0.66 0.00 0.00 0.00 179.25 179.95 1nen h SER 6 N 0.68 0.36 -3.31 0.00 4.64 -1.98 -3.45 113.55 110.48 1nen h SER 6 Ca 0.19 -0.37 -0.53 0.00 -0.47 0.00 0.00 61.79 60.61 1nen h SER 6 Cb -0.07 -0.12 0.06 0.00 -0.31 0.00 0.00 62.40 61.97 1nen h SER 6 CO -0.04 1.27 0.81 0.00 -0.87 0.00 0.00 176.83 178.00 1nen s ALA 7 N -2.73 3.68 0.04 5.18 0.00 -1.07 -4.92 121.76 121.94 1nen s ALA 7 Ca -0.03 1.41 -0.27 0.00 0.00 0.00 0.00 51.96 53.07 1nen s ALA 7 Cb 0.08 -3.59 -0.17 0.00 0.00 0.00 0.00 23.12 19.44 1nen s ALA 7 CO 0.87 -0.82 1.43 1.25 0.00 0.00 0.00 175.76 178.49 1nen h LEU 8 N 5.14 -0.37-10.00 0.00 6.46 -1.88 -3.45 115.31 111.22 1nen h LEU 8 Ca -0.46 -0.11 -0.56 0.00 -0.12 0.00 0.00 57.88 56.64 1nen h LEU 8 Cb 1.22 0.10 0.14 0.00 -0.73 0.00 0.00 40.66 41.39 1nen h LEU 8 CO 0.79 -0.11 0.55 0.61 -0.62 0.00 0.00 178.44 179.66 1nen n GLY 9 N -0.72 0.65 0.26 3.75 0.00 -1.26 -4.90 105.19 102.96 1nen n GLY 9 Ca -0.10 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 1nen n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nen h ARG 10 N 1.41 0.59 0.00 1.61 3.08 -1.93 -3.44 114.38 115.71 1nen h ARG 10 Ca -0.50 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.23 1nen h ARG 10 Cb 1.31 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 1nen h ARG 10 CO 0.57 0.73 -0.07 0.27 -1.07 0.00 0.00 179.97 180.40 1nen n ASN 11 N -4.16 -0.54 0.47 7.04 0.23 -1.26 -4.43 115.26 112.61 1nen n ASN 11 Ca 0.01 -1.78 -0.20 0.00 -0.53 0.00 0.00 54.58 52.08 1nen n ASN 11 Cb 0.37 1.02 -0.10 0.00 -2.08 0.00 0.00 39.78 38.99 1nen n ASN 11 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1nen h GLY 12 N 0.81 -1.36 -0.32 4.83 0.00 -2.00 -2.80 103.07 102.21 1nen h GLY 12 Ca -0.11 0.53 0.29 0.00 0.00 0.00 0.00 47.33 48.04 1nen h GLY 12 CO 0.15 -0.48 0.65 -2.08 0.00 0.00 0.00 176.54 174.78 1nen h VAL 13 N -1.26 0.44 -0.17 4.60 2.07 -1.99 0.25 116.25 120.20 1nen h VAL 13 Ca -0.12 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1nen h VAL 13 Cb 0.99 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1nen h VAL 13 CO 0.16 0.07 0.11 -0.74 0.02 0.00 0.00 177.57 177.19 1nen h HIS 14 N 0.40 0.21 -0.57 1.57 6.17 -1.92 -1.43 115.15 119.58 1nen h HIS 14 Ca 0.66 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.73 1nen h HIS 14 Cb 1.57 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 31.40 1nen h HIS 14 CO -0.01 0.14 0.29 -0.44 0.71 0.00 0.00 177.93 178.62 1nen h ASP 15 N 0.22 0.74 -0.05 3.26 3.32 -0.33 -0.83 116.42 122.75 1nen h ASP 15 Ca 0.06 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1nen h ASP 15 Cb -0.02 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 1nen h ASP 15 CO -0.01 0.64 -0.30 0.15 -1.72 0.00 0.00 179.24 178.00 1nen h PHE 16 N 0.78 -0.80 0.54 4.55 3.57 -0.68 -2.06 116.94 122.83 1nen h PHE 16 Ca 0.20 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1nen h PHE 16 Cb 0.09 0.36 0.01 0.00 2.79 0.00 0.00 35.95 39.20 1nen h PHE 16 CO -0.01 -0.38 -0.26 0.82 -2.23 0.00 0.00 178.31 176.25 1nen h ILE 17 N -0.41 0.47 -1.00 1.41 2.04 -1.08 -2.39 117.51 116.55 1nen h ILE 17 Ca 0.08 -0.05 0.20 0.00 1.00 0.00 0.00 64.86 66.09 1nen h ILE 17 Cb 0.52 0.49 -0.10 0.00 -0.74 0.00 0.00 36.82 36.99 1nen h ILE 17 CO -0.29 0.01 0.61 -0.07 0.00 0.00 0.00 178.15 178.42 1nen h LEU 18 N -0.75 0.71 -0.13 1.44 3.38 -1.07 0.99 115.31 119.88 1nen h LEU 18 Ca -0.07 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1nen h LEU 18 Cb 0.57 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1nen h LEU 18 CO 0.12 0.24 -0.04 0.58 0.09 0.00 0.00 178.44 179.44 1nen h VAL 19 N 0.69 1.29 -0.31 1.22 2.07 -1.23 -2.43 116.25 117.55 1nen h VAL 19 Ca 0.57 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 1nen h VAL 19 Cb 0.99 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1nen h VAL 19 CO -0.36 0.29 -0.06 0.03 0.02 0.00 0.00 177.57 177.49 1nen h ARG 20 N -0.06 0.50 -0.06 1.57 -0.00 -0.81 -0.19 114.38 115.34 1nen h ARG 20 Ca 0.03 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.98 59.36 1nen h ARG 20 Cb 0.47 -0.06 -0.00 0.00 0.00 0.00 0.00 29.97 30.37 1nen h ARG 20 CO 0.01 0.57 -0.08 0.00 0.00 0.00 0.00 179.97 180.48 1nen h ALA 21 N 1.47 0.08 -0.19 0.04 0.00 -0.81 -2.76 119.26 117.10 1nen h ALA 21 Ca 0.09 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1nen h ALA 21 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1nen h ALA 21 CO 0.02 -0.09 -0.23 1.79 0.00 0.00 0.00 179.25 180.74 1nen h THR 22 N -0.32 1.24 0.05 0.00 1.35 -1.41 -1.94 112.91 111.88 1nen h THR 22 Ca 0.01 -1.14 0.01 0.00 -0.55 0.00 0.00 66.41 64.74 1nen h THR 22 Cb 0.62 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 1nen h THR 22 CO 0.02 0.35 -0.14 0.00 -0.25 0.00 0.00 175.52 175.51 1nen h ALA 23 N 1.45 -0.20 0.34 6.62 0.00 -1.00 0.19 119.26 126.66 1nen h ALA 23 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nen h ALA 23 Cb 0.58 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1nen h ALA 23 CO 0.04 -0.64 -0.35 0.82 0.00 0.00 0.00 179.25 179.12 1nen h ILE 24 N -0.26 0.28 -1.00 0.00 2.04 -1.20 0.93 117.51 118.31 1nen h ILE 24 Ca 0.03 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.99 1nen h ILE 24 Cb 0.29 0.28 -0.08 0.00 -0.74 0.00 0.00 36.82 36.57 1nen h ILE 24 CO -0.10 0.00 0.63 0.58 0.00 0.00 0.00 178.15 179.27 1nen h VAL 25 N -0.72 0.98 -0.11 1.67 2.07 -1.20 -1.28 116.25 117.67 1nen h VAL 25 Ca -0.02 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 1nen h VAL 25 Cb 0.65 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1nen h VAL 25 CO -0.07 0.19 -0.46 -0.07 0.02 0.00 0.00 177.57 177.18 1nen h LEU 26 N 1.06 0.28 -0.41 2.57 3.38 -0.16 -2.41 115.31 119.62 1nen h LEU 26 Ca 0.47 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.23 1nen h LEU 26 Cb 0.36 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1nen h LEU 26 CO -0.23 0.70 -0.07 0.74 0.09 0.00 0.00 178.44 179.68 1nen h THR 27 N 0.21 1.27 0.74 0.22 2.02 0.30 -1.23 112.91 116.44 1nen h THR 27 Ca 0.01 -1.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.02 1nen h THR 27 Cb 0.90 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1nen h THR 27 CO 0.07 0.38 -0.45 -0.07 0.37 0.00 0.00 175.52 175.82 1nen h LEU 28 N 0.58 -1.14 -0.86 2.58 3.38 -1.24 -1.52 115.31 117.09 1nen h LEU 28 Ca 0.11 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.31 1nen h LEU 28 Cb 0.58 0.33 -0.16 0.00 0.09 0.00 0.00 40.66 41.50 1nen h LEU 28 CO 0.03 -0.70 -0.21 0.22 0.09 0.00 0.00 178.44 177.88 1nen h TYR 29 N -1.12 -0.44 0.20 1.13 3.20 -1.40 0.19 116.97 118.74 1nen h TYR 29 Ca -0.10 0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.85 1nen h TYR 29 Cb 0.89 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 1nen h TYR 29 CO -0.08 -0.37 -0.23 0.82 -1.64 0.00 0.00 178.16 176.66 1nen h ILE 30 N 0.00 0.49 -0.60 1.81 2.04 -1.07 0.89 117.51 121.07 1nen h ILE 30 Ca 0.42 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.40 1nen h ILE 30 Cb 0.64 0.49 -0.10 0.00 -0.74 0.00 0.00 36.82 37.12 1nen h ILE 30 CO -0.88 0.00 0.04 0.40 0.00 0.00 0.00 178.15 177.71 1nen h ILE 31 N -0.48 0.55 -0.39 -0.67 2.04 0.06 0.38 117.51 118.99 1nen h ILE 31 Ca 0.00 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1nen h ILE 31 Cb 0.46 0.37 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 1nen h ILE 31 CO -0.07 0.03 -0.15 0.22 0.00 0.00 0.00 178.15 178.18 1nen h TYR 32 N 0.16 -0.36 -0.27 1.37 3.20 0.56 0.44 116.97 122.08 1nen h TYR 32 Ca 0.32 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 62.10 1nen h TYR 32 Cb 0.50 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1nen h TYR 32 CO -0.32 -0.23 -0.34 0.52 -1.64 0.00 0.00 178.16 176.15 1nen h MET 33 N -0.07 0.60 0.21 1.82 2.86 0.27 -2.81 114.93 117.81 1nen h MET 33 Ca 0.19 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1nen h MET 33 Cb 0.37 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1nen h MET 33 CO -0.44 0.86 -0.10 0.28 1.06 0.00 0.00 176.91 178.57 1nen h VAL 34 N 0.51 0.86 -1.02 -2.22 2.07 0.56 -2.70 116.25 114.30 1nen h VAL 34 Ca 0.05 -0.72 0.28 0.00 0.82 0.00 0.00 66.70 67.14 1nen h VAL 34 Cb 0.83 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 1nen h VAL 34 CO 0.07 0.15 0.71 1.23 0.02 0.00 0.00 177.57 179.75 1nen h GLY 35 N -0.67 0.37 0.42 2.17 0.00 -0.14 -0.52 103.07 104.71 1nen h GLY 35 Ca -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1nen h GLY 35 CO 0.05 -0.03 -0.01 -2.75 0.00 0.00 0.00 176.54 173.79 1nen h PHE 36 N 0.13 -0.03 -0.11 5.60 3.57 -1.36 -3.13 116.94 121.61 1nen h PHE 36 Ca 0.51 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.98 1nen h PHE 36 Cb 1.78 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.52 1nen h PHE 36 CO -0.00 0.52 -0.08 0.74 -2.23 0.00 0.00 178.31 177.26 1nen h PHE 37 N -0.61 0.16 -0.19 0.41 0.04 -0.83 -1.47 116.94 114.45 1nen h PHE 37 Ca -0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1nen h PHE 37 Cb 0.57 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1nen h PHE 37 CO 0.12 0.25 0.00 0.00 -0.60 0.00 0.00 178.31 178.08 1nen n ALA 38 N -2.50 2.48 -1.81 2.45 0.00 -0.41 -2.83 120.51 117.89 1nen n ALA 38 Ca -0.01 -0.35 0.04 0.00 0.00 0.00 0.00 53.44 53.11 1nen n ALA 38 Cb 0.21 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.71 1nen n ALA 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nen n THR 39 N 0.07 0.67 -0.06 0.00 -1.04 -0.58 -4.86 114.28 108.47 1nen n THR 39 Ca 0.08 -1.01 -0.14 0.00 -2.04 0.00 0.00 64.05 60.94 1nen n THR 39 Cb 0.18 0.33 -0.05 0.00 -1.82 0.00 0.00 70.33 68.97 1nen n THR 39 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1nen n SER 40 N -0.38 1.01 0.00 8.00 7.64 -1.05 -5.02 113.62 123.82 1nen n SER 40 Ca 0.07 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1nen n SER 40 Cb 0.76 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1nen n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nen n GLY 41 N 2.19 1.97 3.60 0.23 0.00 -1.26 -4.50 105.19 107.42 1nen n GLY 41 Ca -0.25 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1nen n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nen s GLU 42 N 0.00 3.86 -0.40 1.61 8.01 -1.26 -5.01 118.70 125.51 1nen s GLU 42 Ca 0.00 0.52 -0.24 0.00 0.01 0.00 0.00 54.97 55.25 1nen s GLU 42 Cb 0.00 -3.78 0.02 0.00 -4.31 0.00 0.00 34.13 26.06 1nen s GLU 42 CO 0.00 -0.82 0.86 -1.17 0.01 0.00 0.00 175.26 174.14 1nen s LEU 43 N 3.19 4.08 0.31 1.80 2.96 -1.26 -5.05 118.68 124.70 1nen s LEU 43 Ca 0.34 0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 54.47 1nen s LEU 43 Cb -0.13 -3.13 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 1nen s LEU 43 CO 0.16 -0.88 0.60 -0.89 -1.32 0.00 0.00 176.35 174.02 1nen s THR 44 N 3.41 4.97 0.45 3.68 2.01 -1.26 -4.94 115.64 123.95 1nen s THR 44 Ca 0.34 0.19 0.12 0.00 0.31 0.00 0.00 61.69 62.66 1nen s THR 44 Cb -0.12 -3.73 0.30 0.00 0.01 0.00 0.00 72.50 68.96 1nen s THR 44 CO 0.21 -0.36 2.05 0.22 -0.69 0.00 0.00 174.62 176.05 1nen h TYR 45 N 1.62 0.36 -0.33 4.92 3.20 -1.99 0.36 116.97 125.11 1nen h TYR 45 Ca -0.48 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.28 1nen h TYR 45 Cb 1.19 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1nen h TYR 45 CO 0.58 0.20 -0.31 0.93 -1.64 0.00 0.00 178.16 177.93 1nen h GLU 46 N 0.37 0.70 -0.08 1.82 4.39 -1.99 -1.85 114.58 117.94 1nen h GLU 46 Ca 0.17 -0.32 -0.23 0.00 0.34 0.00 0.00 59.36 59.32 1nen h GLU 46 Cb 0.22 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1nen h GLU 46 CO -0.04 0.92 -0.86 0.28 -1.16 0.00 0.00 179.01 178.15 1nen h VAL 47 N 0.60 1.29 0.85 3.13 2.07 -1.63 -2.13 116.25 120.42 1nen h VAL 47 Ca 0.07 -2.08 -0.04 0.00 0.82 0.00 0.00 66.70 65.47 1nen h VAL 47 Cb 0.82 2.19 0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1nen h VAL 47 CO 0.07 0.65 -0.41 -0.25 0.02 0.00 0.00 177.57 177.65 1nen h TRP 48 N 0.42 -1.06 0.00 1.57 -0.00 -0.91 -1.12 115.95 114.85 1nen h TRP 48 Ca -0.08 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.77 1nen h TRP 48 Cb 1.51 0.35 -0.00 0.00 -0.00 0.00 0.00 29.16 31.01 1nen h TRP 48 CO 0.10 -0.66 -0.05 0.97 -0.00 0.00 0.00 178.44 178.80 1nen h ILE 49 N -1.18 0.84 -0.29 2.65 2.10 -1.46 -1.43 117.51 118.75 1nen h ILE 49 Ca -0.12 -0.20 -0.11 0.00 1.08 0.00 0.00 64.86 65.51 1nen h ILE 49 Cb 0.87 1.11 -0.01 0.00 -1.09 0.00 0.00 36.82 37.70 1nen h ILE 49 CO 0.19 0.05 -0.29 1.23 -1.08 0.00 0.00 178.15 178.26 1nen h GLY 50 N 0.22 0.64 1.90 8.18 0.00 -1.10 0.12 103.07 113.02 1nen h GLY 50 Ca -0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 1nen h GLY 50 CO 0.01 0.51 -0.42 -2.75 0.00 0.00 0.00 176.54 173.89 1nen h PHE 51 N 0.51 0.13 0.00 5.60 3.57 -0.10 -3.25 116.94 123.40 1nen h PHE 51 Ca 0.07 -0.03 -0.27 0.00 3.53 0.00 0.00 57.97 61.26 1nen h PHE 51 Cb 0.75 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.42 1nen h PHE 51 CO 0.03 0.51 -1.92 1.19 -2.23 0.00 0.00 178.31 175.89 1nen n PHE 52 N -4.03 0.54 0.10 0.41 3.01 -1.06 -3.85 117.46 112.58 1nen n PHE 52 Ca -0.02 0.19 0.01 0.00 1.01 0.00 0.00 57.45 58.64 1nen n PHE 52 Cb 0.46 -1.04 0.06 0.00 -0.01 0.00 0.00 39.48 38.95 1nen n PHE 52 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nen n ALA 53 N -2.57 1.23 -2.54 4.37 0.00 0.40 -4.25 120.51 117.15 1nen n ALA 53 Ca -0.20 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 1nen n ALA 53 Cb 1.00 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 1nen n ALA 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nen s SER 54 N -2.76 6.96 0.31 0.00 0.15 -1.25 -4.92 113.70 112.20 1nen s SER 54 Ca 0.02 1.41 0.03 0.00 0.70 0.00 0.00 55.95 58.10 1nen s SER 54 Cb 0.02 -2.54 0.79 0.00 -1.71 0.00 0.00 66.02 62.57 1nen s SER 54 CO 0.04 -0.79 1.57 0.00 1.20 0.00 0.00 173.24 175.26 1nen h ALA 55 N 8.06 1.22 0.30 5.45 0.00 -1.93 0.38 119.26 132.73 1nen h ALA 55 Ca -0.23 0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nen h ALA 55 Cb 1.08 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1nen h ALA 55 CO 0.99 -0.59 -0.18 0.35 0.00 0.00 0.00 179.25 179.82 1nen h PHE 56 N 0.00 -0.48 -0.49 0.00 3.57 -1.93 -0.60 116.94 117.00 1nen h PHE 56 Ca 0.62 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.10 1nen h PHE 56 Cb 1.29 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.18 1nen h PHE 56 CO -0.49 -0.29 0.26 1.15 -2.23 0.00 0.00 178.31 176.71 1nen h THR 57 N -0.46 1.18 0.21 4.41 2.02 -0.61 -0.67 112.91 118.98 1nen h THR 57 Ca -0.03 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1nen h THR 57 Cb 0.39 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1nen h THR 57 CO 0.03 0.19 -0.37 0.11 0.37 0.00 0.00 175.52 175.85 1nen h LYS 58 N 0.65 -0.63 -0.42 6.66 1.57 -0.76 0.26 116.57 123.89 1nen h LYS 58 Ca 0.17 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1nen h LYS 58 Cb 0.08 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1nen h LYS 58 CO -0.03 -0.42 0.28 0.28 -0.57 0.00 0.00 179.45 179.00 1nen h VAL 59 N -0.66 1.02 -0.02 0.50 2.07 -0.94 -1.27 116.25 116.97 1nen h VAL 59 Ca 0.01 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 1nen h VAL 59 Cb 0.65 0.54 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1nen h VAL 59 CO -0.16 0.08 -0.46 0.15 0.02 0.00 0.00 177.57 177.20 1nen h PHE 60 N 0.44 0.49 -0.63 1.57 3.04 -0.67 -2.37 116.94 118.81 1nen h PHE 60 Ca 0.17 -0.26 0.07 0.00 3.98 0.00 0.00 57.97 61.94 1nen h PHE 60 Cb 0.15 -0.06 -0.06 0.00 2.56 0.00 0.00 35.95 38.54 1nen h PHE 60 CO -0.00 1.05 0.32 1.15 -2.02 0.00 0.00 178.31 178.81 1nen h THR 61 N -0.21 0.91 0.00 4.41 2.02 -0.62 -0.36 112.91 119.05 1nen h THR 61 Ca -0.05 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 1nen h THR 61 Cb 1.17 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1nen h THR 61 CO 0.09 0.11 -0.44 -0.07 0.37 0.00 0.00 175.52 175.58 1nen h LEU 62 N 0.58 0.00 -0.77 2.58 3.38 -1.27 -1.85 115.31 117.97 1nen h LEU 62 Ca 0.29 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.13 1nen h LEU 62 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1nen h LEU 62 CO -0.21 0.44 -0.60 0.25 0.09 0.00 0.00 178.44 178.41 1nen h LEU 63 N 0.00 0.07 0.40 1.67 5.85 -0.77 -1.76 115.31 120.77 1nen h LEU 63 Ca -0.00 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1nen h LEU 63 Cb 0.90 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1nen h LEU 63 CO 0.06 0.65 -0.19 0.00 -0.34 0.00 0.00 178.44 178.61 1nen h ALA 64 N 1.35 -0.54 -0.72 1.25 0.00 -0.80 -0.64 119.26 119.16 1nen h ALA 64 Ca -0.01 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.90 1nen h ALA 64 Cb 1.06 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 1nen h ALA 64 CO 0.08 -0.54 0.13 -0.07 0.00 0.00 0.00 179.25 178.85 1nen h LEU 65 N -1.07 -0.08 -0.96 0.00 3.38 -1.36 0.53 115.31 115.75 1nen h LEU 65 Ca -0.05 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1nen h LEU 65 Cb 0.50 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1nen h LEU 65 CO 0.09 -0.07 0.22 0.15 0.09 0.00 0.00 178.44 178.92 1nen h PHE 66 N 0.22 1.00 -0.33 1.13 3.57 -1.34 -1.49 116.94 119.70 1nen h PHE 66 Ca 0.40 -0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.71 1nen h PHE 66 Cb 0.69 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1nen h PHE 66 CO -0.30 0.79 -0.27 0.77 -2.23 0.00 0.00 178.31 177.07 1nen h SER 67 N 0.95 0.68 -0.78 0.41 0.02 0.14 -2.92 113.55 112.04 1nen h SER 67 Ca 0.22 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1nen h SER 67 Cb 0.24 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1nen h SER 67 CO -0.01 0.92 0.52 0.40 -1.14 0.00 0.00 176.83 177.51 1nen h ILE 68 N 0.57 1.20 0.14 3.27 2.04 0.69 -0.14 117.51 125.29 1nen h ILE 68 Ca 0.08 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1nen h ILE 68 Cb 0.75 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1nen h ILE 68 CO 0.06 0.19 -0.49 0.25 0.00 0.00 0.00 178.15 178.16 1nen h LEU 69 N 1.06 -1.47 -0.10 1.44 5.85 -1.11 0.66 115.31 121.64 1nen h LEU 69 Ca 0.29 0.15 0.04 0.00 0.84 0.00 0.00 57.88 59.20 1nen h LEU 69 Cb -0.12 0.54 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1nen h LEU 69 CO -0.06 -0.53 -0.18 0.40 -0.34 0.00 0.00 178.44 177.73 1nen h ILE 70 N -0.72 0.54 0.54 4.05 2.04 -1.44 -1.16 117.51 121.36 1nen h ILE 70 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1nen h ILE 70 Cb 0.71 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1nen h ILE 70 CO -0.25 0.00 -0.26 -0.74 0.00 0.00 0.00 178.15 176.90 1nen h HIS 71 N -0.25 -0.67 0.00 1.37 2.76 -0.76 -2.58 115.15 115.03 1nen h HIS 71 Ca 0.09 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1nen h HIS 71 Cb 0.37 0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 1nen h HIS 71 CO -0.28 -0.34 -0.02 0.00 -1.30 0.00 0.00 177.93 175.99 1nen h ALA 72 N -0.72 1.87 0.50 5.26 0.00 0.28 0.25 119.26 126.71 1nen h ALA 72 Ca -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1nen h ALA 72 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1nen h ALA 72 CO 0.12 0.03 -0.24 2.35 0.00 0.00 0.00 179.25 181.51 1nen h TRP 73 N 0.00 -0.63 -0.68 0.00 2.91 -1.17 0.13 115.95 116.52 1nen h TRP 73 Ca -0.00 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.04 1nen h TRP 73 Cb 0.04 0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 28.86 1nen h TRP 73 CO 0.00 -0.30 0.41 0.82 -1.03 0.00 0.00 178.44 178.34 1nen h ILE 74 N -0.95 1.07 0.98 2.65 2.04 -1.17 -1.03 117.51 121.10 1nen h ILE 74 Ca -0.07 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 1nen h ILE 74 Cb 0.61 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1nen h ILE 74 CO 0.11 0.15 -0.47 1.23 0.00 0.00 0.00 178.15 179.17 1nen h GLY 75 N 0.80 -1.37 1.53 5.37 0.00 -0.85 -1.09 103.07 107.46 1nen h GLY 75 Ca 0.28 0.51 0.04 0.00 0.00 0.00 0.00 47.33 48.16 1nen h GLY 75 CO -0.12 -0.50 0.23 -0.33 0.00 0.00 0.00 176.54 175.82 1nen h MET 76 N -1.35 0.28 0.31 4.80 2.86 -0.73 -1.73 114.93 119.36 1nen h MET 76 Ca -0.13 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1nen h MET 76 Cb 1.01 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1nen h MET 76 CO 0.22 0.18 -0.15 2.35 1.06 0.00 0.00 176.91 180.57 1nen h TRP 77 N 0.29 -0.39 -0.84 -0.22 7.01 -0.93 -1.26 115.95 119.61 1nen h TRP 77 Ca 0.14 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.27 1nen h TRP 77 Cb 0.21 0.13 -0.09 0.00 -2.10 0.00 0.00 29.16 27.31 1nen h TRP 77 CO -0.00 -0.20 0.44 1.96 -2.79 0.00 0.00 178.44 177.85 1nen h GLN 78 N -0.48 0.63 0.09 2.65 4.20 -0.30 -1.49 115.11 120.41 1nen h GLN 78 Ca -0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1nen h GLN 78 Cb 0.36 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1nen h GLN 78 CO 0.07 0.42 -0.04 0.28 -0.67 0.00 0.00 178.83 178.89 1nen h VAL 79 N 0.65 0.98 -0.16 -0.54 2.07 -1.18 -2.68 116.25 115.40 1nen h VAL 79 Ca 0.45 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.75 1nen h VAL 79 Cb 0.59 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1nen h VAL 79 CO -0.34 0.06 0.11 -0.07 0.02 0.00 0.00 177.57 177.36 1nen h LEU 80 N -0.24 0.01 -1.14 2.57 3.38 -0.72 0.02 115.31 119.18 1nen h LEU 80 Ca -0.01 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1nen h LEU 80 Cb 0.20 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1nen h LEU 80 CO 0.02 0.00 -0.17 0.74 0.09 0.00 0.00 178.44 179.13 1nen h THR 81 N 0.01 0.41 0.13 0.22 2.02 -0.96 -1.50 112.91 113.24 1nen h THR 81 Ca 0.07 -0.99 -0.34 0.00 0.77 0.00 0.00 66.41 65.92 1nen h THR 81 Cb 0.29 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1nen h THR 81 CO -0.00 0.16 -1.83 0.44 0.37 0.00 0.00 175.52 174.66 1nen h ASP 82 N 0.00 0.43 0.00 4.18 3.32 -0.79 -3.44 116.42 120.12 1nen h ASP 82 Ca -0.00 -0.91 -0.32 0.00 0.02 0.00 0.00 57.03 55.82 1nen h ASP 82 Cb 0.71 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.06 1nen h ASP 82 CO 0.02 1.80 -2.20 -1.22 -1.72 0.00 0.00 179.24 175.92 1nen n TYR 83 N -3.62 0.00 -2.91 4.55 4.01 -0.83 -4.81 117.16 113.54 1nen n TYR 83 Ca -0.30 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.01 1nen n TYR 83 Cb 1.01 -0.82 -0.03 0.00 -0.31 0.00 0.00 39.34 39.20 1nen n TYR 83 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1nen s VAL 84 N -2.42 4.68 0.19 -0.72 1.01 -0.57 -4.86 120.40 117.70 1nen s VAL 84 Ca -0.27 -1.49 0.08 0.00 0.00 0.00 0.00 61.98 60.30 1nen s VAL 84 Cb 0.07 -4.78 -0.13 0.00 0.00 0.00 0.00 36.38 31.54 1nen s VAL 84 CO 0.50 -1.52 1.42 0.11 0.00 0.00 0.00 175.10 175.62 1nen h LYS 85 N 8.91 0.02 -6.35 2.72 1.79 -1.87 -3.43 116.57 118.36 1nen h LYS 85 Ca 0.14 -0.03 -0.57 0.00 -2.18 0.00 0.00 60.65 58.01 1nen h LYS 85 Cb 1.03 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.65 1nen h LYS 85 CO 1.12 0.85 1.16 -2.14 -1.08 0.00 0.00 179.45 179.36 1nen s PRO 86 N -3.12 3.57 0.07 3.15 0.02 -1.26 -4.92 135.00 132.50 1nen s PRO 86 Ca -0.00 1.36 -0.13 0.00 0.02 0.00 0.00 61.00 62.25 1nen s PRO 86 Cb 0.11 -4.09 -0.03 0.00 0.02 0.00 0.00 34.50 30.51 1nen s PRO 86 CO 0.80 -1.57 1.23 1.25 -0.33 0.00 0.00 177.00 178.38 1nen h LEU 87 N 12.53 -0.92 -0.84 -5.54 5.85 -2.00 -1.83 115.31 122.56 1nen h LEU 87 Ca -0.32 0.14 0.18 0.00 0.84 0.00 0.00 57.88 58.72 1nen h LEU 87 Cb 1.14 0.40 -0.16 0.00 0.37 0.00 0.00 40.66 42.42 1nen h LEU 87 CO 1.04 -0.10 -0.16 0.00 -0.34 0.00 0.00 178.44 178.88 1nen h ALA 88 N -0.38 0.64 -0.06 1.25 0.00 -1.98 -0.76 119.26 117.98 1nen h ALA 88 Ca 0.07 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1nen h ALA 88 Cb 0.18 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1nen h ALA 88 CO -0.39 -0.42 0.03 1.25 0.00 0.00 0.00 179.25 179.72 1nen h LEU 89 N 0.01 0.07 -0.84 0.00 5.85 -1.80 -2.71 115.31 115.91 1nen h LEU 89 Ca 0.42 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 59.06 1nen h LEU 89 Cb 0.68 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1nen h LEU 89 CO -0.84 0.16 0.55 -0.09 -0.34 0.00 0.00 178.44 177.87 1nen h ARG 90 N -0.02 1.05 -0.60 1.25 2.43 -0.40 -2.17 114.38 115.93 1nen h ARG 90 Ca 0.02 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1nen h ARG 90 Cb 0.10 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1nen h ARG 90 CO -0.00 0.69 0.22 -0.07 -1.51 0.00 0.00 179.97 179.30 1nen h LEU 91 N 1.08 0.85 -0.30 3.80 3.38 -1.17 -0.80 115.31 122.15 1nen h LEU 91 Ca 0.32 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1nen h LEU 91 Cb -0.04 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 1nen h LEU 91 CO -0.10 0.80 -0.08 -0.03 0.09 0.00 0.00 178.44 179.13 1nen h MET 92 N 0.84 -0.00 0.14 1.13 4.05 -1.11 0.03 114.93 120.01 1nen h MET 92 Ca 0.20 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1nen h MET 92 Cb 0.24 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1nen h MET 92 CO -0.01 -0.00 -0.12 -0.07 0.23 0.00 0.00 176.91 176.93 1nen h LEU 93 N -0.00 -0.32 -0.72 3.39 3.38 -0.98 0.12 115.31 120.17 1nen h LEU 93 Ca 0.14 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.26 1nen h LEU 93 Cb 0.22 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1nen h LEU 93 CO -0.31 -0.19 0.33 1.56 0.09 0.00 0.00 178.44 179.91 1nen h GLN 94 N -0.28 0.51 -0.27 1.13 4.20 -0.87 0.49 115.11 120.02 1nen h GLN 94 Ca -0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1nen h GLN 94 Cb 0.26 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1nen h GLN 94 CO -0.02 0.34 0.16 1.25 -0.67 0.00 0.00 178.83 179.89 1nen h LEU 95 N 0.52 0.33 0.23 1.46 5.85 -0.39 0.29 115.31 123.60 1nen h LEU 95 Ca 0.38 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1nen h LEU 95 Cb 0.48 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1nen h LEU 95 CO -0.33 0.28 -0.11 0.58 -0.34 0.00 0.00 178.44 178.52 1nen h VAL 96 N 0.34 0.78 -0.11 1.05 2.07 0.37 -2.06 116.25 118.70 1nen h VAL 96 Ca 0.10 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1nen h VAL 96 Cb 0.01 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1nen h VAL 96 CO -0.02 0.01 -0.11 0.40 0.02 0.00 0.00 177.57 177.87 1nen h ILE 97 N -0.32 0.69 -0.42 4.57 2.04 0.28 -1.05 117.51 123.29 1nen h ILE 97 Ca -0.03 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 1nen h ILE 97 Cb 0.25 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1nen h ILE 97 CO 0.05 0.00 -0.01 0.58 0.00 0.00 0.00 178.15 178.77 1nen h VAL 98 N -0.14 1.23 -0.48 1.67 2.07 -0.44 -0.33 116.25 119.84 1nen h VAL 98 Ca 0.08 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1nen h VAL 98 Cb 0.25 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1nen h VAL 98 CO -0.19 0.33 0.16 0.58 0.02 0.00 0.00 177.57 178.46 1nen h VAL 99 N 0.65 1.22 -0.20 2.57 2.07 -1.10 -0.73 116.25 120.74 1nen h VAL 99 Ca 0.13 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1nen h VAL 99 Cb 0.42 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1nen h VAL 99 CO 0.02 0.27 -0.04 0.00 0.02 0.00 0.00 177.57 177.84 1nen h ALA 100 N 1.01 0.14 -0.57 1.67 0.00 -0.51 0.16 119.26 121.16 1nen h ALA 100 Ca 0.16 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1nen h ALA 100 Cb 0.26 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1nen h ALA 100 CO -0.01 -0.47 0.37 -0.07 0.00 0.00 0.00 179.25 179.08 1nen h LEU 101 N 0.01 0.67 -1.00 0.00 3.38 -0.84 0.18 115.31 117.71 1nen h LEU 101 Ca 0.09 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1nen h LEU 101 Cb 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1nen h LEU 101 CO -0.20 0.49 0.27 0.58 0.09 0.00 0.00 178.44 179.67 1nen h VAL 102 N 0.78 1.23 -0.20 1.22 2.07 -0.49 -2.29 116.25 118.57 1nen h VAL 102 Ca 0.21 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.90 1nen h VAL 102 Cb -0.08 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1nen h VAL 102 CO -0.04 0.29 -0.29 0.58 0.02 0.00 0.00 177.57 178.13 1nen h VAL 103 N 0.97 1.27 0.02 2.57 2.07 0.06 -1.07 116.25 122.14 1nen h VAL 103 Ca 0.23 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.46 1nen h VAL 103 Cb 0.19 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1nen h VAL 103 CO -0.02 0.41 -0.17 1.88 0.02 0.00 0.00 177.57 179.69 1nen h TYR 104 N 0.34 -0.44 -0.66 1.57 0.05 -0.44 0.29 116.97 117.70 1nen h TYR 104 Ca 0.05 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 1nen h TYR 104 Cb 0.69 0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.59 1nen h TYR 104 CO 0.02 -0.24 0.29 0.28 -1.05 0.00 0.00 178.16 177.45 1nen h VAL 105 N -0.29 1.23 -0.50 -2.88 2.07 -1.19 -0.13 116.25 114.57 1nen h VAL 105 Ca 0.05 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 1nen h VAL 105 Cb 0.34 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1nen h VAL 105 CO -0.15 0.28 -0.09 0.40 0.02 0.00 0.00 177.57 178.03 1nen h ILE 106 N 0.92 1.27 -0.34 4.57 2.04 -0.82 -1.88 117.51 123.27 1nen h ILE 106 Ca 0.22 -1.23 -0.09 0.00 1.00 0.00 0.00 64.86 64.77 1nen h ILE 106 Cb 0.17 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1nen h ILE 106 CO -0.02 0.43 -0.15 0.22 0.00 0.00 0.00 178.15 178.63 1nen h TYR 107 N 0.81 0.66 -0.36 1.37 3.20 -0.29 -1.89 116.97 120.47 1nen h TYR 107 Ca 0.13 -0.12 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1nen h TYR 107 Cb 0.65 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1nen h TYR 107 CO 0.05 0.73 0.14 0.78 -1.64 0.00 0.00 178.16 178.21 1nen h GLY 108 N 0.97 0.46 1.00 1.82 0.00 -0.52 0.16 103.07 106.97 1nen h GLY 108 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1nen h GLY 108 CO 0.04 0.05 -0.13 0.74 0.00 0.00 0.00 176.54 177.24 1nen h PHE 109 N 0.30 -0.33 -0.71 5.60 -1.00 -1.08 -0.46 116.94 119.26 1nen h PHE 109 Ca 0.16 -0.01 0.12 0.00 2.81 0.00 0.00 57.97 61.05 1nen h PHE 109 Cb 0.11 0.11 -0.09 0.00 3.61 0.00 0.00 35.95 39.70 1nen h PHE 109 CO -0.13 -0.20 0.29 0.28 -1.61 0.00 0.00 178.31 176.94 1nen h VAL 110 N -0.35 0.71 -0.20 -0.55 2.07 -0.70 -0.96 116.25 116.27 1nen h VAL 110 Ca -0.03 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1nen h VAL 110 Cb 0.27 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1nen h VAL 110 CO 0.06 0.08 0.01 0.58 0.02 0.00 0.00 177.57 178.32 1nen h VAL 111 N 0.46 1.25 0.31 2.57 2.07 -0.58 -3.03 116.25 119.30 1nen h VAL 111 Ca 0.38 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1nen h VAL 111 Cb 0.53 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1nen h VAL 111 CO -0.36 0.26 -0.15 0.58 0.02 0.00 0.00 177.57 177.92 1nen h VAL 112 N 0.12 0.71 0.00 2.57 2.07 -0.43 -2.82 116.25 118.47 1nen h VAL 112 Ca 0.06 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1nen h VAL 112 Cb 0.38 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1nen h VAL 112 CO 0.01 0.03 -0.00 4.11 0.02 0.00 0.00 177.57 181.74 1nen h TRP 113 N -0.50 0.00 0.00 1.57 0.09 -1.31 -1.97 115.95 113.83 1nen h TRP 113 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.94 1nen h TRP 113 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.61 1nen h TRP 113 CO -0.04 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.91 1nen n GLY 114 N -0.40 -0.99 0.27 11.11 0.00 -1.07 -5.12 105.19 108.99 1nen n GLY 114 Ca -0.01 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.85 1nen n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70