#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ccz n ASN -3 N 0.00 0.00 0.00 2.55 3.02 -1.26 -5.06 115.26 114.51 2ccz n ASN -3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2ccz n ASN -3 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2ccz n ASN -3 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2ccz n SER -2 N 0.00 0.00 -0.05 6.41 3.41 -1.26 -4.41 113.62 117.72 2ccz n SER -2 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2ccz n SER -2 Cb 0.00 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 2ccz n SER -2 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 2ccz h LEU -1 N 0.00 -0.97 -8.20 1.04 -0.00 -2.11 -3.41 115.31 101.66 2ccz h LEU -1 Ca 0.00 0.16 -0.31 0.00 -0.00 0.00 0.00 57.88 57.73 2ccz h LEU -1 Cb 0.00 0.44 -0.06 0.00 -0.00 0.00 0.00 40.66 41.04 2ccz h LEU -1 CO 0.00 -0.33 1.36 1.15 -0.00 0.00 0.00 178.44 180.63 2ccz n MET 1 N -5.40 0.33 -4.21 0.17 -0.00 -1.26 -4.95 117.12 101.80 2ccz n MET 1 Ca -0.01 -0.23 -0.23 0.00 -0.00 0.00 0.00 57.70 57.23 2ccz n MET 1 Cb 0.32 -2.26 -0.17 0.00 -0.00 0.00 0.00 33.22 31.11 2ccz n MET 1 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2ccz s THR 2 N 8.13 0.77 -0.31 3.17 -1.32 -1.26 -4.94 115.64 119.87 2ccz s THR 2 Ca 1.17 -0.23 -0.00 0.00 -1.21 0.00 0.00 61.69 61.42 2ccz s THR 2 Cb -0.63 -0.77 0.10 0.00 -1.51 0.00 0.00 72.50 69.69 2ccz s THR 2 CO 0.37 0.29 0.09 0.20 -2.21 0.00 0.00 174.62 173.36 2ccz s ASN 3 N 1.06 4.10 -0.11 8.08 -0.87 -1.26 -5.10 114.94 120.84 2ccz s ASN 3 Ca -0.08 -1.68 -0.02 0.00 -1.57 0.00 0.00 52.86 49.51 2ccz s ASN 3 Cb -0.14 -0.95 0.04 0.00 -0.02 0.00 0.00 41.25 40.18 2ccz s ASN 3 CO -0.01 -0.41 0.01 -0.13 -2.57 0.00 0.00 177.10 174.00 2ccz s ARG 4 N 1.54 0.62 -0.07 -0.60 1.81 -1.26 -4.18 118.95 116.81 2ccz s ARG 4 Ca 0.10 -0.05 0.02 0.00 -1.72 0.00 0.00 55.73 54.08 2ccz s ARG 4 Cb -0.17 -1.32 -0.02 0.00 -0.45 0.00 0.00 34.95 32.98 2ccz s ARG 4 CO -0.23 -0.41 -0.13 -1.17 -0.68 0.00 0.00 175.30 172.68 2ccz s LEU 5 N 1.94 2.80 -0.46 2.53 1.98 0.95 -4.97 118.68 123.47 2ccz s LEU 5 Ca 0.03 -0.19 0.03 0.00 -2.89 0.00 0.00 54.13 51.11 2ccz s LEU 5 Cb -0.14 -1.59 0.13 0.00 0.66 0.00 0.00 46.19 45.26 2ccz s LEU 5 CO -0.06 0.31 0.24 -0.69 -1.89 0.00 0.00 176.35 174.26 2ccz s VAL 6 N -0.53 1.74 0.11 1.68 1.01 -1.26 -1.33 120.40 121.81 2ccz s VAL 6 Ca 0.07 -2.73 0.00 0.00 0.00 0.00 0.00 61.98 59.32 2ccz s VAL 6 Cb -0.12 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2ccz s VAL 6 CO 0.02 -0.86 0.26 -0.22 0.00 0.00 0.00 175.10 174.30 2ccz s LEU 7 N 0.22 4.33 0.17 3.92 2.96 -0.33 -4.91 118.68 125.03 2ccz s LEU 7 Ca 0.17 0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.39 2ccz s LEU 7 Cb -0.25 -3.00 -0.05 0.00 0.50 0.00 0.00 46.19 43.40 2ccz s LEU 7 CO -0.00 0.10 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.17 2ccz s SER 8 N -2.77 1.40 0.00 3.68 1.04 -1.26 0.03 113.70 115.83 2ccz s SER 8 Ca 0.36 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2ccz s SER 8 Cb -0.12 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2ccz s SER 8 CO 0.28 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2ccz n GLY 9 N -0.24 -0.35 3.42 7.32 0.00 -1.00 -4.25 105.19 110.09 2ccz n GLY 9 Ca -0.08 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 2ccz n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ccz s THR 10 N -2.72 4.22 -0.26 2.61 2.01 -0.63 -2.30 115.64 118.57 2ccz s THR 10 Ca 0.00 -0.26 -0.32 0.00 0.31 0.00 0.00 61.69 61.42 2ccz s THR 10 Cb 0.00 -3.00 -0.08 0.00 0.01 0.00 0.00 72.50 69.43 2ccz s THR 10 CO 0.00 0.31 2.17 0.52 -0.69 0.00 0.00 174.62 176.93 2ccz n VAL 11 N 4.91 0.31 0.00 3.82 0.31 -0.10 -2.21 118.33 125.36 2ccz n VAL 11 Ca -0.16 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2ccz n VAL 11 Cb 0.51 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 2ccz n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ccz s ARG 13 N -0.47 1.81 3.47 0.00 1.70 -1.24 -4.56 118.95 119.66 2ccz s ARG 13 Ca 0.00 -1.39 0.00 0.00 -0.47 0.00 0.00 55.73 53.87 2ccz s ARG 13 Cb 0.00 -2.44 0.00 0.00 -0.57 0.00 0.00 34.95 31.94 2ccz s ARG 13 CO 0.00 -1.32 0.00 0.00 -1.08 0.00 0.00 175.30 172.90 2ccz n ALA 14 N -2.67 0.00 -2.28 7.88 0.00 -1.26 -3.74 120.51 118.45 2ccz n ALA 14 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 2ccz n ALA 14 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 2ccz n ALA 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ccz s PRO 15 N 0.00 4.65 -0.34 0.00 0.04 -1.26 -3.73 135.00 134.36 2ccz s PRO 15 Ca 0.00 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.21 2ccz s PRO 15 Cb 0.00 -3.37 -0.00 0.00 0.04 0.00 0.00 34.50 31.17 2ccz s PRO 15 CO 0.00 0.25 0.53 -0.51 0.04 0.00 0.00 177.00 177.31 2ccz s LEU 16 N -0.07 4.30 -0.42 -3.56 1.02 0.90 -4.88 118.68 115.98 2ccz s LEU 16 Ca 0.44 0.05 -0.11 0.00 0.02 0.00 0.00 54.13 54.53 2ccz s LEU 16 Cb -0.23 -2.62 0.06 0.00 0.02 0.00 0.00 46.19 43.42 2ccz s LEU 16 CO 0.28 -0.48 0.28 -0.60 0.02 0.00 0.00 176.35 175.85 2ccz s ARG 17 N 2.43 2.75 0.15 1.70 3.52 -1.26 -0.81 118.95 127.44 2ccz s ARG 17 Ca 0.20 -1.33 0.07 0.00 -0.13 0.00 0.00 55.73 54.54 2ccz s ARG 17 Cb -0.15 -3.85 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 2ccz s ARG 17 CO 0.13 -0.90 -0.16 0.21 -0.81 0.00 0.00 175.30 173.77 2ccz s LYS 18 N 1.51 1.18 -0.16 5.12 2.47 0.17 -4.93 119.74 125.10 2ccz s LYS 18 Ca 0.03 -1.36 -0.03 0.00 -1.56 0.00 0.00 55.97 53.04 2ccz s LYS 18 Cb -0.22 -1.14 -0.03 0.00 -1.46 0.00 0.00 37.83 34.99 2ccz s LYS 18 CO 0.04 0.22 -0.04 0.54 0.16 0.00 0.00 175.35 176.27 2ccz s VAL 19 N -2.20 3.81 0.11 4.02 0.11 -1.26 0.35 120.40 125.33 2ccz s VAL 19 Ca 0.14 -0.38 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 2ccz s VAL 19 Cb -0.05 -2.67 -0.04 0.00 -1.53 0.00 0.00 36.38 32.10 2ccz s VAL 19 CO 0.05 0.49 0.23 -0.44 -3.33 0.00 0.00 175.10 172.10 2ccz s SER 20 N 0.43 6.26 0.00 3.54 0.01 -0.78 -4.94 113.70 118.22 2ccz s SER 20 Ca -0.04 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.41 2ccz s SER 20 Cb -0.14 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.20 2ccz s SER 20 CO 0.03 0.11 0.06 -2.65 0.41 0.00 0.00 173.24 171.20 2ccz n PRO 21 N -0.12 0.00 -0.00 12.44 -0.02 -1.26 0.25 135.00 146.30 2ccz n PRO 21 Ca -0.06 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.52 2ccz n PRO 21 Cb 0.53 -1.48 -0.13 0.00 -0.02 0.00 0.00 33.50 32.39 2ccz n PRO 21 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2ccz n SER 22 N -0.54 0.45 0.00 2.55 7.64 -1.26 -5.01 113.62 117.44 2ccz n SER 22 Ca 0.00 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.47 2ccz n SER 22 Cb 0.00 1.50 0.00 0.00 -1.01 0.00 0.00 64.21 64.70 2ccz n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ccz n GLY 23 N 1.36 2.91 3.81 0.23 0.00 0.14 -5.11 105.19 108.52 2ccz n GLY 23 Ca -0.00 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 2ccz n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ccz s ILE 24 N -0.07 4.04 0.27 -0.61 -5.25 -1.26 -4.78 121.20 113.54 2ccz s ILE 24 Ca 0.00 1.24 -0.26 0.00 -0.99 0.00 0.00 60.65 60.64 2ccz s ILE 24 Cb 0.00 -3.51 -0.09 0.00 2.95 0.00 0.00 42.46 41.80 2ccz s ILE 24 CO 0.00 -0.31 0.89 -2.84 -1.79 0.00 0.00 174.94 170.88 2ccz s PRO 25 N -3.32 4.59 -0.04 0.37 0.02 -1.26 -1.86 135.00 133.50 2ccz s PRO 25 Ca 0.65 1.27 0.03 0.00 0.02 0.00 0.00 61.00 62.96 2ccz s PRO 25 Cb -0.13 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.41 2ccz s PRO 25 CO 0.19 0.39 -0.11 -1.01 -0.33 0.00 0.00 177.00 176.13 2ccz s HIS 26 N -1.45 1.18 -0.17 6.54 3.76 1.07 -2.28 115.29 123.94 2ccz s HIS 26 Ca 0.45 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 55.04 2ccz s HIS 26 Cb -0.20 -0.84 0.03 0.00 1.11 0.00 0.00 32.58 32.68 2ccz s HIS 26 CO 0.25 -0.14 -0.11 0.00 -0.85 0.00 0.00 174.74 173.90 2ccz s GLN 28 N 1.49 2.17 0.37 0.00 -0.44 0.01 0.20 119.66 123.46 2ccz s GLN 28 Ca 0.02 -0.89 -0.10 0.00 -2.50 0.00 0.00 55.36 51.89 2ccz s GLN 28 Cb -0.14 -2.10 0.03 0.00 -1.64 0.00 0.00 33.01 29.16 2ccz s GLN 28 CO -0.09 0.57 0.66 -0.59 0.50 0.00 0.00 175.29 176.34 2ccz s PHE 29 N -0.64 0.53 -0.08 1.67 -0.12 -0.53 -0.07 117.98 118.75 2ccz s PHE 29 Ca 0.10 -1.02 0.03 0.00 -0.05 0.00 0.00 56.93 55.99 2ccz s PHE 29 Cb -0.10 0.45 0.01 0.00 -0.63 0.00 0.00 43.02 42.75 2ccz s PHE 29 CO -0.01 -1.40 -0.17 0.54 -0.05 0.00 0.00 175.22 174.14 2ccz s VAL 30 N -2.58 1.51 -0.19 -2.49 0.11 -1.24 -0.22 120.40 115.29 2ccz s VAL 30 Ca 0.22 -0.69 -0.09 0.00 -2.93 0.00 0.00 61.98 58.49 2ccz s VAL 30 Cb -0.03 -1.34 -0.04 0.00 -1.53 0.00 0.00 36.38 33.43 2ccz s VAL 30 CO 0.15 0.44 0.09 -0.22 -3.33 0.00 0.00 175.10 172.24 2ccz s LEU 31 N 0.58 3.97 -0.37 2.54 2.96 -1.00 -0.28 118.68 127.08 2ccz s LEU 31 Ca -0.15 0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 2ccz s LEU 31 Cb -0.16 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.54 2ccz s LEU 31 CO 0.05 0.16 0.18 -0.70 -1.32 0.00 0.00 176.35 174.72 2ccz s GLU 32 N 0.45 2.71 0.19 1.98 2.12 -0.94 -1.58 118.70 123.64 2ccz s GLU 32 Ca 0.05 -1.18 -0.06 0.00 0.36 0.00 0.00 54.97 54.15 2ccz s GLU 32 Cb -0.12 -3.65 -0.06 0.00 0.26 0.00 0.00 34.13 30.56 2ccz s GLU 32 CO -0.00 -0.73 0.45 -1.58 -0.54 0.00 0.00 175.26 172.85 2ccz s HIS 33 N 1.48 3.46 -0.29 5.30 5.65 -0.19 -1.60 115.29 129.10 2ccz s HIS 33 Ca 0.01 0.64 -0.12 0.00 0.25 0.00 0.00 55.06 55.83 2ccz s HIS 33 Cb -0.20 -2.07 0.12 0.00 -1.18 0.00 0.00 32.58 29.25 2ccz s HIS 33 CO 0.05 0.35 0.71 0.50 -0.65 0.00 0.00 174.74 175.70 2ccz s ARG 34 N -2.87 0.57 0.19 2.88 6.06 -1.24 -2.17 118.95 122.36 2ccz s ARG 34 Ca 0.43 1.28 -0.24 0.00 -2.50 0.00 0.00 55.73 54.70 2ccz s ARG 34 Cb -0.12 0.60 0.05 0.00 0.06 0.00 0.00 34.95 35.55 2ccz s ARG 34 CO 0.25 -0.17 0.88 -1.54 -2.50 0.00 0.00 175.30 172.22 2ccz s SER 35 N 2.45 -0.21 -0.05 -2.12 1.04 0.18 -4.97 113.70 110.00 2ccz s SER 35 Ca -0.07 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 55.96 2ccz s SER 35 Cb -0.09 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.58 2ccz s SER 35 CO -0.19 -1.02 -0.20 -0.69 0.98 0.00 0.00 173.24 172.11 2ccz s VAL 36 N -3.47 1.70 0.15 5.02 1.01 -1.26 0.20 120.40 123.75 2ccz s VAL 36 Ca 0.12 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 2ccz s VAL 36 Cb -0.03 -1.46 0.08 0.00 0.00 0.00 0.00 36.38 34.98 2ccz s VAL 36 CO 0.03 0.48 1.06 0.00 0.00 0.00 0.00 175.10 176.67 2ccz s GLN 37 N 0.02 1.17 0.00 2.72 -2.07 -0.13 -4.97 119.66 116.40 2ccz s GLN 37 Ca -0.06 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 52.75 2ccz s GLN 37 Cb -0.13 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 2ccz s GLN 37 CO 0.03 -0.55 0.00 -1.91 -1.32 0.00 0.00 175.29 171.55 2ccz n GLU 38 N -0.66 0.00 0.00 9.60 2.13 -1.26 -1.43 120.64 129.02 2ccz n GLU 38 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2ccz n GLU 38 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 2ccz n GLU 38 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2ccz n GLU 39 N -1.34 0.00 0.00 5.31 0.28 -1.26 -4.39 120.64 119.24 2ccz n GLU 39 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2ccz n GLU 39 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2ccz n GLU 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ccz n ALA 40 N 0.00 0.00 -2.53 -1.84 0.00 -1.26 -4.87 120.51 110.00 2ccz n ALA 40 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2ccz n ALA 40 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 2ccz n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ccz n GLY 41 N 1.78 1.21 3.69 0.00 0.00 -1.26 -5.04 105.19 105.56 2ccz n GLY 41 Ca 0.00 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 2ccz n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ccz s PHE 42 N -0.64 3.36 -0.33 1.61 2.99 -1.26 -5.06 117.98 118.64 2ccz s PHE 42 Ca 0.33 0.30 -0.21 0.00 0.00 0.00 0.00 56.93 57.35 2ccz s PHE 42 Cb 0.38 -2.25 -0.00 0.00 0.00 0.00 0.00 43.02 41.15 2ccz s PHE 42 CO -0.15 0.14 0.66 -1.01 -0.00 0.00 0.00 175.22 174.87 2ccz s HIS 43 N 0.82 3.17 0.15 0.36 3.76 -1.26 -4.21 115.29 118.08 2ccz s HIS 43 Ca 0.09 0.49 0.11 0.00 -0.15 0.00 0.00 55.06 55.60 2ccz s HIS 43 Cb -0.13 -3.12 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 2ccz s HIS 43 CO 0.03 -0.58 -0.24 0.50 -0.85 0.00 0.00 174.74 173.59 2ccz s ARG 44 N 2.74 1.51 0.12 1.40 6.06 -0.51 -4.98 118.95 125.28 2ccz s ARG 44 Ca 0.26 -1.39 0.07 0.00 -2.50 0.00 0.00 55.73 52.17 2ccz s ARG 44 Cb -0.14 -1.91 -0.04 0.00 0.06 0.00 0.00 34.95 32.91 2ccz s ARG 44 CO 0.14 0.44 -0.08 -1.14 -2.50 0.00 0.00 175.30 172.16 2ccz s GLN 45 N -2.30 2.21 -0.05 5.12 0.74 -1.26 -0.95 119.66 123.16 2ccz s GLN 45 Ca 0.17 -1.03 0.03 0.00 0.05 0.00 0.00 55.36 54.58 2ccz s GLN 45 Cb -0.09 -2.33 0.01 0.00 1.10 0.00 0.00 33.01 31.69 2ccz s GLN 45 CO 0.08 0.50 -0.12 0.00 -0.55 0.00 0.00 175.29 175.20 2ccz s ALA 46 N -1.32 1.16 -0.03 1.58 0.00 0.53 -4.92 121.76 118.75 2ccz s ALA 46 Ca 0.23 -0.41 -0.10 0.00 0.00 0.00 0.00 51.96 51.67 2ccz s ALA 46 Cb -0.11 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.55 2ccz s ALA 46 CO 0.15 0.14 0.23 1.67 0.00 0.00 0.00 175.76 177.95 2ccz s TRP 47 N 0.46 -0.13 -0.30 0.00 1.48 -1.26 0.47 118.94 119.66 2ccz s TRP 47 Ca -0.10 0.25 -0.18 0.00 -1.06 0.00 0.00 56.10 55.01 2ccz s TRP 47 Cb -0.13 0.04 0.21 0.00 -1.16 0.00 0.00 33.47 32.44 2ccz s TRP 47 CO 0.02 -0.28 1.34 0.00 -4.06 0.00 0.00 176.95 173.97 2ccz s GLN 49 N 0.77 3.15 -0.43 0.00 -0.21 -1.26 -1.02 119.66 120.67 2ccz s GLN 49 Ca -0.04 -2.58 -0.28 0.00 0.02 0.00 0.00 55.36 52.47 2ccz s GLN 49 Cb -0.03 -4.10 0.03 0.00 1.00 0.00 0.00 33.01 29.91 2ccz s GLN 49 CO -0.11 -1.24 1.08 1.41 -2.12 0.00 0.00 175.29 174.32 2ccz s MET 50 N -0.10 3.80 0.16 2.91 1.75 -0.61 -4.80 119.30 122.40 2ccz s MET 50 Ca 0.19 0.65 -0.31 0.00 -1.25 0.00 0.00 55.69 54.96 2ccz s MET 50 Cb -0.14 -3.86 -0.10 0.00 2.84 0.00 0.00 34.83 33.56 2ccz s MET 50 CO -0.07 -1.21 1.70 -2.14 -0.65 0.00 0.00 175.02 172.65 2ccz s PRO 51 N 4.11 4.16 0.01 4.11 0.02 -1.26 -2.39 135.00 143.76 2ccz s PRO 51 Ca 0.45 2.50 0.06 0.00 0.02 0.00 0.00 61.00 64.04 2ccz s PRO 51 Cb -0.09 -3.30 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 2ccz s PRO 51 CO 0.26 -0.73 -0.19 0.08 -0.33 0.00 0.00 177.00 176.09 2ccz s VAL 52 N 1.77 2.69 -0.01 3.83 1.01 0.69 -1.21 120.40 129.17 2ccz s VAL 52 Ca 0.75 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 61.72 2ccz s VAL 52 Cb -0.46 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2ccz s VAL 52 CO 0.33 0.45 -0.17 -0.51 0.00 0.00 0.00 175.10 175.19 2ccz s ILE 53 N -0.81 1.37 -0.32 2.22 2.07 -0.47 -1.45 121.20 123.81 2ccz s ILE 53 Ca 0.13 -0.74 0.03 0.00 -1.41 0.00 0.00 60.65 58.66 2ccz s ILE 53 Cb -0.10 -1.14 0.09 0.00 0.13 0.00 0.00 42.46 41.44 2ccz s ILE 53 CO 0.03 0.39 0.02 -0.69 -1.91 0.00 0.00 174.94 172.77 2ccz s VAL 54 N -0.41 2.10 -0.18 4.00 1.01 0.13 -1.46 120.40 125.59 2ccz s VAL 54 Ca 0.07 -2.07 -0.06 0.00 0.00 0.00 0.00 61.98 59.91 2ccz s VAL 54 Cb -0.07 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2ccz s VAL 54 CO -0.01 -0.47 0.03 -0.55 0.00 0.00 0.00 175.10 174.11 2ccz s SER 55 N 1.03 5.37 0.00 3.32 0.15 -1.26 -1.37 113.70 120.93 2ccz s SER 55 Ca 0.06 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2ccz s SER 55 Cb -0.19 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 2ccz s SER 55 CO -0.09 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2ccz n GLY 56 N 3.60 2.86 0.18 9.45 0.00 -0.97 -4.84 105.19 115.47 2ccz n GLY 56 Ca -0.17 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 2ccz n GLY 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2ccz h HIS 57 N 0.00 0.66 -0.79 1.61 3.86 -1.96 -3.23 115.15 115.30 2ccz h HIS 57 Ca 0.00 -0.17 0.19 0.00 -1.16 0.00 0.00 60.37 59.23 2ccz h HIS 57 Cb 0.00 -0.15 -0.14 0.00 1.06 0.00 0.00 27.41 28.18 2ccz h HIS 57 CO 0.00 0.83 0.05 1.49 0.86 0.00 0.00 177.93 181.16 2ccz h GLU 58 N 0.30 0.12 -0.01 2.45 4.81 -1.99 -2.80 114.58 117.46 2ccz h GLU 58 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2ccz h GLU 58 Cb 0.67 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2ccz h GLU 58 CO 0.04 0.08 -0.57 0.09 -0.73 0.00 0.00 179.01 177.92 2ccz n ASN 59 N -5.33 1.47 0.05 1.04 5.03 -1.25 -4.33 115.26 111.94 2ccz n ASN 59 Ca 0.16 -1.17 0.10 0.00 0.87 0.00 0.00 54.58 54.53 2ccz n ASN 59 Cb 0.53 0.53 0.41 0.00 -1.02 0.00 0.00 39.78 40.23 2ccz n ASN 59 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 2ccz n GLN 60 N -0.62 0.08 0.00 3.52 -0.06 -1.05 -3.54 117.38 115.70 2ccz n GLN 60 Ca 0.08 0.26 0.00 0.00 -2.00 0.00 0.00 57.00 55.34 2ccz n GLN 60 Cb 0.40 -1.63 0.00 0.00 -4.06 0.00 0.00 30.24 24.95 2ccz n GLN 60 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2ccz n ALA 61 N -1.60 -0.22 0.23 1.69 0.00 -1.26 -3.24 120.51 116.10 2ccz n ALA 61 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2ccz n ALA 61 Cb 0.23 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.15 2ccz n ALA 61 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2ccz h ILE 62 N 0.00 0.05 -0.31 0.00 3.07 -0.44 -2.86 117.51 117.01 2ccz h ILE 62 Ca 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.39 2ccz h ILE 62 Cb 0.00 0.34 -0.01 0.00 -0.27 0.00 0.00 36.82 36.87 2ccz h ILE 62 CO 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 178.15 177.21 2ccz h THR 63 N 0.00 1.20 0.00 0.16 1.03 -1.60 -3.14 112.91 110.56 2ccz h THR 63 Ca 0.09 -0.62 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 2ccz h THR 63 Cb 1.50 1.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.60 2ccz h THR 63 CO -0.00 0.21 0.00 1.41 -0.01 0.00 0.00 175.52 177.13 2ccz n HIS 64 N -4.70 0.00 0.23 0.00 8.25 -1.08 -0.86 115.22 117.06 2ccz n HIS 64 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 2ccz n HIS 64 Cb 0.16 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.22 2ccz n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2ccz n SER 65 N -0.26 1.08 -4.74 0.41 2.88 -1.19 -5.01 113.62 106.80 2ccz n SER 65 Ca 0.00 -0.49 -0.35 0.00 -1.33 0.00 0.00 58.87 56.69 2ccz n SER 65 Cb 0.00 1.08 -0.08 0.00 -0.75 0.00 0.00 64.21 64.46 2ccz n SER 65 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2ccz s ILE 66 N -1.83 5.22 0.26 2.46 -5.25 -0.04 -5.04 121.20 116.99 2ccz s ILE 66 Ca 0.01 0.12 0.02 0.00 -0.99 0.00 0.00 60.65 59.81 2ccz s ILE 66 Cb 0.05 -3.34 -0.04 0.00 2.95 0.00 0.00 42.46 42.07 2ccz s ILE 66 CO 0.27 0.50 0.14 -0.89 -1.79 0.00 0.00 174.94 173.17 2ccz s THR 67 N -0.04 0.30 0.11 8.37 2.01 -1.26 -4.57 115.64 120.55 2ccz s THR 67 Ca 0.09 -2.00 -0.36 0.00 0.31 0.00 0.00 61.69 59.73 2ccz s THR 67 Cb -0.12 -2.55 -0.16 0.00 0.01 0.00 0.00 72.50 69.68 2ccz s THR 67 CO 0.00 0.00 1.40 0.52 -0.69 0.00 0.00 174.62 175.85 2ccz n VAL 68 N -0.46 0.01 0.00 3.82 0.31 -1.24 -0.14 118.33 120.63 2ccz n VAL 68 Ca 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2ccz n VAL 68 Cb 0.66 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 2ccz n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ccz n GLY 69 N 2.74 3.42 3.71 2.92 0.00 0.49 -4.98 105.19 113.48 2ccz n GLY 69 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2ccz n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ccz s SER 70 N -0.87 6.49 -0.17 1.61 0.15 0.80 -4.63 113.70 117.09 2ccz s SER 70 Ca 0.00 2.70 -0.11 0.00 0.70 0.00 0.00 55.95 59.24 2ccz s SER 70 Cb 0.00 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 2ccz s SER 70 CO 0.00 -0.92 0.21 0.00 1.20 0.00 0.00 173.24 173.73 2ccz s ARG 71 N 1.73 4.14 0.21 5.44 1.70 -1.26 -0.93 118.95 129.99 2ccz s ARG 71 Ca 0.74 -0.06 -0.15 0.00 -0.47 0.00 0.00 55.73 55.79 2ccz s ARG 71 Cb -0.45 -3.39 0.01 0.00 -0.57 0.00 0.00 34.95 30.54 2ccz s ARG 71 CO 0.33 0.33 0.49 0.96 -1.08 0.00 0.00 175.30 176.33 2ccz s ILE 72 N 0.22 0.02 -0.03 4.99 -5.25 -0.97 -2.66 121.20 117.52 2ccz s ILE 72 Ca 0.13 -1.08 0.06 0.00 -0.99 0.00 0.00 60.65 58.77 2ccz s ILE 72 Cb -0.12 -1.84 -0.01 0.00 2.95 0.00 0.00 42.46 43.43 2ccz s ILE 72 CO 0.02 -0.10 -0.22 -0.89 -1.79 0.00 0.00 174.94 171.95 2ccz s THR 73 N -3.93 1.78 0.05 8.37 2.01 0.54 -2.39 115.64 122.07 2ccz s THR 73 Ca 0.14 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.25 2ccz s THR 73 Cb -0.01 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 2ccz s THR 73 CO 0.02 0.50 -0.15 0.54 -0.69 0.00 0.00 174.62 174.84 2ccz s VAL 74 N -0.39 1.18 -0.05 3.82 0.11 0.10 -1.01 120.40 124.17 2ccz s VAL 74 Ca 0.05 -1.13 0.03 0.00 -2.93 0.00 0.00 61.98 57.99 2ccz s VAL 74 Cb -0.10 -1.09 0.01 0.00 -1.53 0.00 0.00 36.38 33.67 2ccz s VAL 74 CO 0.00 -0.05 -0.12 -1.58 -3.33 0.00 0.00 175.10 170.02 2ccz s GLN 75 N -1.36 1.45 0.00 1.54 -0.44 -0.31 -1.19 119.66 119.35 2ccz s GLN 75 Ca 0.01 -0.39 0.00 0.00 -2.50 0.00 0.00 55.36 52.48 2ccz s GLN 75 Cb -0.09 -1.25 0.00 0.00 -1.64 0.00 0.00 33.01 30.03 2ccz s GLN 75 CO 0.02 0.08 0.00 0.41 0.50 0.00 0.00 175.29 176.30 2ccz n GLY 76 N 3.57 -1.13 3.76 2.59 0.00 -0.44 -0.24 105.19 113.30 2ccz n GLY 76 Ca -0.21 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 2ccz n GLY 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ccz s PHE 77 N -3.00 3.14 -0.24 1.61 -0.71 -0.96 -0.03 117.98 117.80 2ccz s PHE 77 Ca 0.00 0.04 -0.11 0.00 -1.04 0.00 0.00 56.93 55.82 2ccz s PHE 77 Cb 0.00 -1.58 -0.05 0.00 -1.21 0.00 0.00 43.02 40.18 2ccz s PHE 77 CO 0.00 0.51 0.16 0.42 -1.34 0.00 0.00 175.22 174.98 2ccz s ILE 78 N -1.46 5.36 0.34 -4.49 1.01 -1.26 0.22 121.20 120.92 2ccz s ILE 78 Ca 0.29 0.19 0.06 0.00 0.00 0.00 0.00 60.65 61.19 2ccz s ILE 78 Cb -0.12 -3.50 -0.07 0.00 0.01 0.00 0.00 42.46 38.79 2ccz s ILE 78 CO 0.22 0.35 -0.00 -0.55 0.00 0.00 0.00 174.94 174.95 2ccz s SER 79 N 1.03 3.09 -0.22 3.58 0.15 -0.72 -4.96 113.70 115.66 2ccz s SER 79 Ca 0.08 -1.31 -0.05 0.00 0.70 0.00 0.00 55.95 55.38 2ccz s SER 79 Cb -0.13 -0.23 0.08 0.00 -1.71 0.00 0.00 66.02 64.02 2ccz s SER 79 CO 0.04 -0.44 0.11 0.00 1.20 0.00 0.00 173.24 174.15 2ccz s HIS 81 N 2.13 2.04 0.93 0.00 3.76 -0.66 -4.76 115.29 118.73 2ccz s HIS 81 Ca 0.05 -0.24 -0.11 0.00 -0.15 0.00 0.00 55.06 54.61 2ccz s HIS 81 Cb -0.16 -2.80 0.15 0.00 1.11 0.00 0.00 32.58 30.88 2ccz s HIS 81 CO -0.21 -1.32 1.09 0.15 -0.85 0.00 0.00 174.74 173.59 2ccz s LYS 82 N -4.94 0.96 0.00 1.40 -0.14 -1.22 0.55 119.74 116.36 2ccz s LYS 82 Ca 0.62 0.93 0.00 0.00 -1.36 0.00 0.00 55.97 56.16 2ccz s LYS 82 Cb -0.07 -1.77 0.00 0.00 -1.68 0.00 0.00 37.83 34.31 2ccz s LYS 82 CO 0.41 -2.47 0.00 0.00 -0.76 0.00 0.00 175.35 172.53 2ccz n ALA 83 N -4.06 0.00 0.71 5.17 0.00 0.11 -4.55 120.51 117.89 2ccz n ALA 83 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.63 2ccz n ALA 83 Cb 0.55 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.23 2ccz n ALA 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2ccz n LYS 84 N 0.00 2.29 0.10 0.00 0.00 -1.26 -4.79 118.16 114.50 2ccz n LYS 84 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 58.31 56.38 2ccz n LYS 84 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.55 2ccz n LYS 84 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2ccz n ASN 85 N 1.20 -1.77 -4.69 3.14 0.23 -1.26 -5.10 115.26 107.01 2ccz n ASN 85 Ca 0.17 0.49 -0.42 0.00 -0.53 0.00 0.00 54.58 54.29 2ccz n ASN 85 Cb 0.55 1.86 -0.03 0.00 -2.08 0.00 0.00 39.78 40.09 2ccz n ASN 85 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2ccz s GLY 86 N -1.62 2.10 0.00 4.83 0.00 -1.26 -4.99 107.32 106.38 2ccz s GLY 86 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.35 2ccz s GLY 86 CO 0.00 2.21 0.25 1.04 0.00 0.00 0.00 173.10 176.60 2ccz n LEU 87 N 5.19 0.00 -4.63 0.66 4.77 -1.26 -2.80 117.00 118.93 2ccz n LEU 87 Ca 0.11 0.25 -0.38 0.00 -0.03 0.00 0.00 56.01 55.96 2ccz n LEU 87 Cb 0.46 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 2ccz n LEU 87 CO 0.55 0.00 -0.05 -0.94 -1.33 0.00 0.00 177.39 175.62 2ccz s SER 88 N -2.66 6.19 0.10 -1.43 1.04 -1.25 0.06 113.70 115.75 2ccz s SER 88 Ca 0.00 0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.66 2ccz s SER 88 Cb 0.00 -2.16 -0.04 0.00 0.10 0.00 0.00 66.02 63.92 2ccz s SER 88 CO 0.00 -0.07 0.17 -0.75 0.98 0.00 0.00 173.24 173.57 2ccz s LYS 89 N 1.61 3.17 -0.06 4.02 2.20 0.19 -4.92 119.74 125.95 2ccz s LYS 89 Ca 0.12 -0.63 0.04 0.00 -0.36 0.00 0.00 55.97 55.14 2ccz s LYS 89 Cb -0.15 -2.86 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 2ccz s LYS 89 CO 0.08 0.55 -0.18 1.41 -0.36 0.00 0.00 175.35 176.86 2ccz s MET 90 N -2.74 2.62 -0.08 4.03 -2.45 -1.26 -1.65 119.30 117.78 2ccz s MET 90 Ca 0.32 -0.77 -0.04 0.00 -1.25 0.00 0.00 55.69 53.95 2ccz s MET 90 Cb -0.12 -2.33 0.04 0.00 1.25 0.00 0.00 34.83 33.67 2ccz s MET 90 CO 0.25 0.49 0.19 0.14 1.05 0.00 0.00 175.02 177.14 2ccz s VAL 91 N -0.40 -0.04 -0.22 10.11 -7.23 -0.88 -4.18 120.40 117.56 2ccz s VAL 91 Ca 0.04 0.15 -0.19 0.00 -1.81 0.00 0.00 61.98 60.17 2ccz s VAL 91 Cb -0.12 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.49 2ccz s VAL 91 CO 0.02 0.06 0.53 -0.22 -0.31 0.00 0.00 175.10 175.18 2ccz s LEU 92 N 1.07 4.11 -0.43 1.32 1.98 -0.35 -1.75 118.68 124.64 2ccz s LEU 92 Ca -0.08 0.65 -0.20 0.00 -2.89 0.00 0.00 54.13 51.61 2ccz s LEU 92 Cb -0.10 -2.72 0.02 0.00 0.66 0.00 0.00 46.19 44.05 2ccz s LEU 92 CO -0.06 -0.23 0.60 -1.00 -1.89 0.00 0.00 176.35 173.77 2ccz s HIS 93 N 1.91 3.09 -0.05 5.38 3.76 0.13 -1.37 115.29 128.15 2ccz s HIS 93 Ca 0.24 -0.08 -0.30 0.00 -0.15 0.00 0.00 55.06 54.77 2ccz s HIS 93 Cb -0.15 -3.24 -0.04 0.00 1.11 0.00 0.00 32.58 30.26 2ccz s HIS 93 CO 0.09 -0.81 1.27 0.00 -0.85 0.00 0.00 174.74 174.45 2ccz s ALA 94 N 2.67 3.54 -1.46 -1.40 0.00 -0.54 -2.26 121.76 122.32 2ccz s ALA 94 Ca 0.21 0.68 0.14 0.00 0.00 0.00 0.00 51.96 52.99 2ccz s ALA 94 Cb -0.15 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.45 2ccz s ALA 94 CO 0.18 -0.86 0.84 0.39 0.00 0.00 0.00 175.76 176.30 2ccz n GLU 95 N 5.44 1.58 -3.61 0.00 1.02 0.67 -4.58 120.64 121.16 2ccz n GLU 95 Ca 0.12 -0.94 -0.03 0.00 -0.02 0.00 0.00 57.16 56.29 2ccz n GLU 95 Cb 0.45 -1.23 -0.06 0.00 -0.02 0.00 0.00 31.44 30.58 2ccz n GLU 95 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2ccz s GLN 96 N -1.56 0.53 0.35 3.49 0.74 -0.98 -5.00 119.66 117.22 2ccz s GLN 96 Ca 0.13 1.03 0.08 0.00 0.05 0.00 0.00 55.36 56.66 2ccz s GLN 96 Cb 0.12 0.31 -0.04 0.00 1.10 0.00 0.00 33.01 34.50 2ccz s GLN 96 CO 0.30 -0.13 0.17 0.42 -0.55 0.00 0.00 175.29 175.50 2ccz s ILE 97 N 1.92 2.96 -0.26 -2.34 1.01 -1.26 -1.16 121.20 122.07 2ccz s ILE 97 Ca -0.08 -1.65 -0.05 0.00 0.00 0.00 0.00 60.65 58.87 2ccz s ILE 97 Cb -0.06 -3.00 0.14 0.00 0.01 0.00 0.00 42.46 39.55 2ccz s ILE 97 CO -0.18 -0.15 0.49 -0.70 0.00 0.00 0.00 174.94 174.40 2ccz s GLU 98 N -3.88 0.44 -0.43 2.79 2.12 -0.18 -4.97 118.70 114.59 2ccz s GLU 98 Ca 0.39 0.94 -0.25 0.00 0.36 0.00 0.00 54.97 56.41 2ccz s GLU 98 Cb -0.02 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.62 2ccz s GLU 98 CO 0.23 -0.46 0.91 -0.51 -0.54 0.00 0.00 175.26 174.89 2ccz s LEU 99 N 2.71 4.02 0.00 2.70 1.43 -1.26 -0.34 118.68 127.94 2ccz s LEU 99 Ca 0.08 0.24 0.18 0.00 -1.03 0.00 0.00 54.13 53.60 2ccz s LEU 99 Cb -0.14 -3.19 0.93 0.00 0.03 0.00 0.00 46.19 43.82 2ccz s LEU 99 CO -0.17 -0.98 1.53 2.30 0.23 0.00 0.00 176.35 179.26 2ccz n ILE 100 N 6.26 0.40 -0.18 -0.59 -6.64 -1.09 -1.67 119.36 115.85 2ccz n ILE 100 Ca 0.06 0.10 -0.10 0.00 -1.77 0.00 0.00 62.75 61.04 2ccz n ILE 100 Cb 0.48 -0.81 0.01 0.00 -1.44 0.00 0.00 39.64 37.89 2ccz n ILE 100 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 2ccz h ASP 101 N 0.00 1.03 1.34 7.28 5.19 -1.90 -0.93 116.42 128.42 2ccz h ASP 101 Ca 0.00 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 2ccz h ASP 101 Cb 0.14 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.37 2ccz h ASP 101 CO 0.00 1.15 0.00 0.28 -3.12 0.00 0.00 179.24 177.55 2ccz h SER 102 N 0.91 0.00 0.13 6.45 0.02 -1.71 0.12 113.55 119.47 2ccz h SER 102 Ca 0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2ccz h SER 102 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2ccz h SER 102 CO 0.05 0.00 -0.06 0.58 -1.14 0.00 0.00 176.83 176.26 2ccz h VAL 103 N 0.00 1.03 -0.20 2.27 2.07 -1.18 -0.58 116.25 119.66 2ccz h VAL 103 Ca 0.00 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.46 2ccz h VAL 103 Cb 0.67 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2ccz h VAL 103 CO 0.00 0.24 0.07 0.44 0.02 0.00 0.00 177.57 178.34 2ccz h ASP 104 N -0.73 0.08 -0.68 0.57 3.45 -1.18 -0.07 116.42 117.85 2ccz h ASP 104 Ca -0.02 0.02 0.20 0.00 0.43 0.00 0.00 57.03 57.66 2ccz h ASP 104 Cb 0.53 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 39.28 2ccz h ASP 104 CO 0.03 0.08 0.49 0.11 -1.57 0.00 0.00 179.24 178.38 2ccz h LYS 105 N 0.17 0.00 0.00 3.56 1.57 -0.76 -0.06 116.57 121.05 2ccz h LYS 105 Ca 0.08 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.58 2ccz h LYS 105 Cb 0.05 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 2ccz h LYS 105 CO -0.09 0.00 -1.66 1.25 -0.57 0.00 0.00 179.45 178.38 2ccz h LEU 106 N 0.00 0.00 -0.45 2.94 5.85 0.04 -3.21 115.31 120.47 2ccz h LEU 106 Ca 0.32 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.87 2ccz h LEU 106 Cb 1.30 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 2ccz h LEU 106 CO -0.00 1.00 -0.65 0.00 -0.34 0.00 0.00 178.44 178.44 2ccz h ALA 107 N 1.00 0.63 0.04 1.25 0.00 -0.16 -3.19 119.26 118.84 2ccz h ALA 107 Ca -0.27 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 2ccz h ALA 107 Cb 2.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2ccz h ALA 107 CO 0.08 0.72 -0.02 0.00 0.00 0.00 0.00 179.25 180.03 2ccz h ALA 108 N 0.94 -0.06 0.00 0.00 0.00 -1.18 -1.97 119.26 116.98 2ccz h ALA 108 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ccz h ALA 108 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2ccz h ALA 108 CO 0.12 -0.38 0.05 0.00 0.00 0.00 0.00 179.25 179.04 2ccz h ALA 109 N 0.57 1.04 0.01 0.00 0.00 -1.63 0.37 119.26 119.61 2ccz h ALA 109 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2ccz h ALA 109 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2ccz h ALA 109 CO 0.01 -0.04 -1.25 -0.07 0.00 0.00 0.00 179.25 177.90 2ccz h LEU 110 N 0.00 0.02 -2.01 0.00 -0.00 -1.50 -3.17 115.31 108.65 2ccz h LEU 110 Ca 0.00 -0.55 -0.02 0.00 -0.00 0.00 0.00 57.88 57.31 2ccz h LEU 110 Cb 0.10 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 40.75 2ccz h LEU 110 CO 0.00 1.49 -0.09 -0.33 -0.00 0.00 0.00 178.44 179.51 2ccz h GLU 111 N -0.94 0.00 0.00 1.13 4.39 -0.39 -3.29 114.58 115.48 2ccz h GLU 111 Ca -0.34 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.33 2ccz h GLU 111 Cb 1.33 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.93 2ccz h GLU 111 CO -0.19 0.09 -0.50 0.72 -1.16 0.00 0.00 179.01 177.97 2ccz n HIS 112 N -3.57 0.00 -2.42 4.33 8.25 0.11 -4.90 115.22 117.03 2ccz n HIS 112 Ca -0.02 -1.22 -0.40 0.00 -0.26 0.00 0.00 57.72 55.82 2ccz n HIS 112 Cb 0.22 -0.21 0.02 0.00 1.12 0.00 0.00 29.99 31.14 2ccz n HIS 112 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ccz n HIS 113 N -0.89 2.92 0.00 4.41 1.44 -1.20 -4.96 115.22 116.94 2ccz n HIS 113 Ca 0.16 -2.57 0.00 0.00 -2.01 0.00 0.00 57.72 53.30 2ccz n HIS 113 Cb 0.75 -1.13 0.00 0.00 0.12 0.00 0.00 29.99 29.73 2ccz n HIS 113 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2ccz n HIS 114 N -0.24 0.00 0.00 -1.40 -0.00 -1.26 -5.09 115.22 107.23 2ccz n HIS 114 Ca 0.48 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.66 2ccz n HIS 114 Cb 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 2ccz n HIS 114 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38