#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jic s ILE 3 N 0.00 1.60 0.53 12.58 -4.36 -0.79 -5.00 121.20 125.76 2jic s ILE 3 Ca 0.00 -2.05 -0.01 0.00 -0.26 0.00 0.00 60.65 58.33 2jic s ILE 3 Cb 0.00 -2.72 0.02 0.00 1.25 0.00 0.00 42.46 41.00 2jic s ILE 3 CO 0.00 -0.11 0.78 -1.10 0.24 0.00 0.00 174.94 174.75 2jic s GLN 4 N -3.78 2.79 0.35 0.37 -1.52 -1.26 -4.50 119.66 112.10 2jic s GLN 4 Ca 0.34 -0.48 -0.27 0.00 -1.95 0.00 0.00 55.36 53.00 2jic s GLN 4 Cb 0.07 -2.45 -0.12 0.00 -0.22 0.00 0.00 33.01 30.29 2jic s GLN 4 CO 0.15 -0.58 1.10 -2.30 -0.25 0.00 0.00 175.29 173.42 2jic n PRO 5 N -2.33 1.61 -3.34 2.91 -0.02 -1.26 -4.89 135.00 127.68 2jic n PRO 5 Ca 0.05 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2jic n PRO 5 Cb 0.59 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2jic n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jic n GLY 6 N 1.05 -1.62 3.27 -1.23 0.00 0.57 -4.99 105.19 102.24 2jic n GLY 6 Ca 0.08 -1.39 -0.15 0.00 0.00 0.00 0.00 46.02 44.56 2jic n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jic s THR 7 N -2.36 1.28 -1.94 2.61 -4.23 -1.26 -1.13 115.64 108.61 2jic s THR 7 Ca 0.00 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 2jic s THR 7 Cb 0.00 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2jic s THR 7 CO 0.00 -0.72 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 2jic n GLY 8 N -0.23 -0.55 3.06 3.99 0.00 -0.92 -5.00 105.19 105.53 2jic n GLY 8 Ca -0.10 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 2jic n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jic s TYR 9 N -3.13 1.09 -0.08 1.61 2.02 -1.26 -1.03 117.35 116.56 2jic s TYR 9 Ca 0.00 -0.23 -0.03 0.00 -0.37 0.00 0.00 57.07 56.44 2jic s TYR 9 Cb 0.00 -0.72 0.04 0.00 -0.40 0.00 0.00 41.96 40.88 2jic s TYR 9 CO 0.00 -0.05 0.16 1.21 -1.57 0.00 0.00 175.55 175.30 2jic s ASN 10 N -0.15 0.57 -1.52 2.29 2.47 0.81 -4.90 114.94 114.50 2jic s ASN 10 Ca 0.02 0.32 -0.13 0.00 0.42 0.00 0.00 52.86 53.49 2jic s ASN 10 Cb -0.06 0.25 0.09 0.00 -1.45 0.00 0.00 41.25 40.08 2jic s ASN 10 CO -0.00 -0.22 0.88 0.59 -3.72 0.00 0.00 177.10 174.62 2jic n ASN 11 N 5.08 -4.60 0.00 -4.21 3.02 -1.26 -1.64 115.26 111.65 2jic n ASN 11 Ca -0.09 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 2jic n ASN 11 Cb 0.50 -3.70 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 2jic n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jic n GLY 12 N -1.58 0.76 3.25 7.41 0.00 -1.26 -4.58 105.19 109.19 2jic n GLY 12 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 2jic n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jic s TYR 13 N -2.97 1.83 0.48 1.61 2.02 -0.65 -5.04 117.35 114.63 2jic s TYR 13 Ca 0.00 -0.38 -0.20 0.00 -0.37 0.00 0.00 57.07 56.12 2jic s TYR 13 Cb 0.00 -1.09 -0.09 0.00 -0.40 0.00 0.00 41.96 40.38 2jic s TYR 13 CO 0.00 0.09 1.01 0.12 -1.57 0.00 0.00 175.55 175.21 2jic s PHE 14 N -0.81 3.10 0.03 2.71 5.36 -0.32 -0.13 117.98 127.92 2jic s PHE 14 Ca 0.08 1.58 -0.02 0.00 -0.96 0.00 0.00 56.93 57.61 2jic s PHE 14 Cb -0.09 -3.00 -0.02 0.00 -0.34 0.00 0.00 43.02 39.58 2jic s PHE 14 CO 0.02 -0.63 0.01 1.52 -1.46 0.00 0.00 175.22 174.67 2jic s TYR 15 N -2.08 0.28 -0.05 10.12 -0.85 -0.20 -0.19 117.35 124.38 2jic s TYR 15 Ca 0.65 -0.59 -0.02 0.00 -0.52 0.00 0.00 57.07 56.59 2jic s TYR 15 Cb -0.14 -0.21 0.04 0.00 0.38 0.00 0.00 41.96 42.03 2jic s TYR 15 CO 0.19 -0.26 0.11 0.45 -1.52 0.00 0.00 175.55 174.52 2jic s SER 16 N -1.83 -0.01 -0.08 -0.18 0.15 -0.63 -2.17 113.70 108.94 2jic s SER 16 Ca -0.10 0.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 2jic s SER 16 Cb -0.05 0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.41 2jic s SER 16 CO -0.03 -0.15 -0.01 -0.47 1.20 0.00 0.00 173.24 173.78 2jic s TYR 17 N 1.21 0.83 0.02 3.44 5.04 -0.28 -1.17 117.35 126.44 2jic s TYR 17 Ca -0.08 -0.30 0.03 0.00 -2.44 0.00 0.00 57.07 54.28 2jic s TYR 17 Cb -0.12 -0.89 -0.02 0.00 0.35 0.00 0.00 41.96 41.29 2jic s TYR 17 CO -0.05 -0.37 -0.10 -0.46 -1.34 0.00 0.00 175.55 173.23 2jic s TRP 18 N 1.92 0.85 0.14 4.97 -0.00 0.43 -0.32 118.94 126.93 2jic s TRP 18 Ca 0.05 -0.30 -0.08 0.00 -0.00 0.00 0.00 56.10 55.77 2jic s TRP 18 Cb -0.12 -0.52 -0.01 0.00 -0.00 0.00 0.00 33.47 32.81 2jic s TRP 18 CO -0.06 -0.01 0.22 0.54 -0.00 0.00 0.00 176.95 177.64 2jic s ASN 19 N -0.88 0.11 0.00 5.86 2.20 -1.26 -0.50 114.94 120.47 2jic s ASN 19 Ca -0.01 -0.87 0.12 0.00 -0.94 0.00 0.00 52.86 51.16 2jic s ASN 19 Cb -0.06 0.39 0.42 0.00 -2.00 0.00 0.00 41.25 40.00 2jic s ASN 19 CO 0.00 -0.82 1.32 -0.90 -2.94 0.00 0.00 177.10 173.76 2jic n ASP 20 N -0.15 1.35 0.00 3.54 5.68 -0.28 -4.88 116.55 121.80 2jic n ASP 20 Ca -0.09 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 2jic n ASP 20 Cb 0.63 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 2jic n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jic n GLY 21 N 0.96 2.10 3.78 6.12 0.00 -1.26 -4.99 105.19 111.89 2jic n GLY 21 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2jic n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jic s HIS 22 N -2.48 3.63 0.00 1.61 3.76 -1.26 -5.05 115.29 115.49 2jic s HIS 22 Ca 0.00 1.76 0.00 0.00 -0.15 0.00 0.00 55.06 56.67 2jic s HIS 22 Cb 0.00 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.72 2jic s HIS 22 CO 0.00 0.06 0.00 0.41 -0.85 0.00 0.00 174.74 174.36 2jic n GLY 23 N 0.56 0.30 0.95 -2.22 0.00 -1.26 -4.55 105.19 98.97 2jic n GLY 23 Ca 0.02 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2jic n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jic n GLY 24 N 5.00 0.73 3.35 -0.02 0.00 -1.26 -4.16 105.19 108.83 2jic n GLY 24 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2jic n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jic s VAL 25 N -2.46 2.74 -0.22 1.61 1.01 -1.26 -0.18 120.40 121.64 2jic s VAL 25 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2jic s VAL 25 Cb 0.00 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.33 2jic s VAL 25 CO 0.00 0.55 -0.08 -0.89 0.00 0.00 0.00 175.10 174.68 2jic s THR 26 N 0.08 1.63 -0.16 3.92 2.01 -0.20 -5.01 115.64 117.90 2jic s THR 26 Ca -0.07 -1.16 -0.05 0.00 0.31 0.00 0.00 61.69 60.72 2jic s THR 26 Cb -0.15 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 2jic s THR 26 CO 0.05 0.02 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.52 2jic s TYR 27 N 1.37 3.08 -0.05 4.92 5.04 -1.26 -1.66 117.35 128.79 2jic s TYR 27 Ca -0.04 -0.21 0.02 0.00 -2.44 0.00 0.00 57.07 54.40 2jic s TYR 27 Cb -0.18 -1.99 0.01 0.00 0.35 0.00 0.00 41.96 40.15 2jic s TYR 27 CO -0.07 0.00 -0.10 0.99 -1.34 0.00 0.00 175.55 175.03 2jic s THR 28 N 0.38 0.97 -0.04 4.34 2.01 0.15 -1.89 115.64 121.56 2jic s THR 28 Ca -0.02 -0.40 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 2jic s THR 28 Cb -0.14 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 2jic s THR 28 CO 0.02 0.31 0.49 0.20 -0.69 0.00 0.00 174.62 174.95 2jic s ASN 29 N 0.57 6.82 0.00 3.53 0.01 -1.26 -0.76 114.94 123.85 2jic s ASN 29 Ca -0.11 0.97 0.00 0.00 -0.71 0.00 0.00 52.86 53.01 2jic s ASN 29 Cb -0.14 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.22 2jic s ASN 29 CO 0.02 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 2jic n GLY 30 N 2.49 4.01 3.72 0.66 0.00 0.58 -4.70 105.19 111.95 2jic n GLY 30 Ca -0.10 -2.19 -0.36 0.00 0.00 0.00 0.00 46.02 43.38 2jic n GLY 30 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jic s PRO 31 N -1.83 2.24 4.57 1.61 0.02 -1.26 -4.34 135.00 136.02 2jic s PRO 31 Ca 0.00 1.96 0.00 0.00 0.02 0.00 0.00 61.00 62.98 2jic s PRO 31 Cb 0.00 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.70 2jic s PRO 31 CO 0.00 -1.81 0.00 0.41 -0.33 0.00 0.00 177.00 175.27 2jic n GLY 32 N 0.75 3.19 1.67 0.52 0.00 -1.26 -1.36 105.19 108.70 2jic n GLY 32 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 2jic n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jic n GLY 33 N 0.00 2.97 3.86 -0.02 0.00 -1.26 -4.67 105.19 106.07 2jic n GLY 33 Ca 0.00 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 2jic n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jic s GLN 34 N -2.40 3.86 0.03 1.61 -0.44 -0.46 -0.78 119.66 121.07 2jic s GLN 34 Ca 0.42 0.33 -0.19 0.00 -2.50 0.00 0.00 55.36 53.42 2jic s GLN 34 Cb 0.33 -2.81 0.04 0.00 -1.64 0.00 0.00 33.01 28.93 2jic s GLN 34 CO 0.11 0.41 0.43 -0.59 0.50 0.00 0.00 175.29 176.15 2jic s PHE 35 N -1.63 -0.30 0.03 1.67 -0.12 -0.28 -0.31 117.98 117.05 2jic s PHE 35 Ca 0.42 0.33 0.01 0.00 -0.05 0.00 0.00 56.93 57.64 2jic s PHE 35 Cb -0.13 0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.46 2jic s PHE 35 CO 0.20 -0.55 -0.06 -1.54 -0.05 0.00 0.00 175.22 173.22 2jic s SER 36 N -1.84 0.59 -0.02 1.98 1.04 0.06 -0.98 113.70 114.53 2jic s SER 36 Ca -0.07 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 2jic s SER 36 Cb -0.01 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.19 2jic s SER 36 CO -0.00 -0.25 0.04 0.54 0.98 0.00 0.00 173.24 174.55 2jic s VAL 37 N -1.43 -0.04 -0.09 5.02 0.11 0.09 -0.68 120.40 123.37 2jic s VAL 37 Ca -0.12 0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 2jic s VAL 37 Cb -0.10 -0.09 0.02 0.00 -1.53 0.00 0.00 36.38 34.68 2jic s VAL 37 CO -0.00 0.06 -0.12 0.21 -3.33 0.00 0.00 175.10 171.92 2jic s ASN 38 N 0.81 2.12 0.01 3.54 3.04 -0.67 -0.82 114.94 122.98 2jic s ASN 38 Ca -0.07 -0.35 0.02 0.00 0.04 0.00 0.00 52.86 52.51 2jic s ASN 38 Cb -0.09 -0.93 -0.01 0.00 -1.54 0.00 0.00 41.25 38.68 2jic s ASN 38 CO -0.03 -0.01 -0.08 -1.66 -3.04 0.00 0.00 177.10 172.29 2jic s TRP 39 N 1.05 0.66 -0.20 0.43 -2.14 -0.08 -1.03 118.94 117.64 2jic s TRP 39 Ca -0.07 -0.22 -0.01 0.00 2.66 0.00 0.00 56.10 58.46 2jic s TRP 39 Cb -0.15 -0.41 0.06 0.00 -3.10 0.00 0.00 33.47 29.87 2jic s TRP 39 CO -0.01 -0.02 -0.01 -1.12 -2.66 0.00 0.00 176.95 173.12 2jic s SER 40 N -0.57 3.18 -1.21 -2.66 0.01 0.75 -0.80 113.70 112.40 2jic s SER 40 Ca -0.00 -0.89 -0.18 0.00 1.31 0.00 0.00 55.95 56.18 2jic s SER 40 Cb -0.05 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.33 2jic s SER 40 CO 0.00 -0.26 0.70 0.59 0.41 0.00 0.00 173.24 174.68 2jic n ASN 41 N 4.89 -4.06 -3.54 2.44 5.03 -0.76 -4.48 115.26 114.78 2jic n ASN 41 Ca -0.10 -1.06 -0.22 0.00 0.87 0.00 0.00 54.58 54.07 2jic n ASN 41 Cb 0.46 -3.07 0.15 0.00 -1.02 0.00 0.00 39.78 36.30 2jic n ASN 41 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2jic n SER 42 N -2.67 0.21 0.00 6.41 3.41 -0.48 -4.72 113.62 115.78 2jic n SER 42 Ca -0.14 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.02 2jic n SER 42 Cb 0.61 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2jic n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jic n GLY 43 N -1.64 1.81 3.76 5.00 0.00 -1.26 -3.24 105.19 109.62 2jic n GLY 43 Ca 0.13 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 2jic n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jic s ASN 44 N -0.34 6.33 0.05 1.61 2.47 -1.26 -1.14 114.94 122.66 2jic s ASN 44 Ca 0.00 0.38 -0.15 0.00 0.42 0.00 0.00 52.86 53.51 2jic s ASN 44 Cb 0.00 -2.12 0.02 0.00 -1.45 0.00 0.00 41.25 37.71 2jic s ASN 44 CO 0.00 0.21 0.33 0.72 -3.72 0.00 0.00 177.10 174.64 2jic s PHE 45 N 0.06 -0.13 -0.10 0.43 -0.12 -0.59 -1.13 117.98 116.41 2jic s PHE 45 Ca 0.12 -0.02 -0.04 0.00 -0.05 0.00 0.00 56.93 56.94 2jic s PHE 45 Cb -0.12 0.13 0.05 0.00 -0.63 0.00 0.00 43.02 42.45 2jic s PHE 45 CO 0.01 -0.54 0.21 0.08 -0.05 0.00 0.00 175.22 174.93 2jic s VAL 46 N -2.73 -0.18 -0.07 -2.49 1.01 0.34 -1.45 120.40 114.84 2jic s VAL 46 Ca -0.04 0.23 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 2jic s VAL 46 Cb -0.00 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 36.06 2jic s VAL 46 CO -0.04 0.10 0.34 -0.83 0.00 0.00 0.00 175.10 174.66 2jic s GLY 47 N 1.73 -0.21 0.00 4.51 0.00 -0.71 -0.43 107.32 112.21 2jic s GLY 47 Ca -0.04 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.34 2jic s GLY 47 CO -0.07 0.48 0.00 0.61 0.00 0.00 0.00 173.10 174.12 2jic n GLY 48 N 2.02 -1.48 3.42 0.20 0.00 -0.32 -0.95 105.19 108.09 2jic n GLY 48 Ca -0.18 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.50 2jic n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jic s LYS 49 N -1.96 1.51 0.00 1.61 1.02 -1.11 -1.60 119.74 119.21 2jic s LYS 49 Ca 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.50 2jic s LYS 49 Cb 0.00 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 2jic s LYS 49 CO 0.00 0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.25 2jic n GLY 50 N 0.36 -0.35 3.09 -3.33 0.00 0.74 -1.12 105.19 104.58 2jic n GLY 50 Ca -0.13 0.38 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 2jic n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jic s TRP 51 N 0.00 0.78 -0.22 1.61 0.51 0.58 -1.17 118.94 121.03 2jic s TRP 51 Ca 0.00 -0.57 -0.04 0.00 -2.12 0.00 0.00 56.10 53.37 2jic s TRP 51 Cb 0.00 -0.46 0.08 0.00 -0.81 0.00 0.00 33.47 32.28 2jic s TRP 51 CO 0.00 -0.08 0.12 -1.14 -0.51 0.00 0.00 176.95 175.34 2jic s GLN 52 N -2.01 0.12 0.57 4.98 2.00 -1.26 -1.09 119.66 122.97 2jic s GLN 52 Ca -0.05 -0.25 -0.02 0.00 -2.00 0.00 0.00 55.36 53.04 2jic s GLN 52 Cb -0.07 -1.50 0.03 0.00 0.80 0.00 0.00 33.01 32.26 2jic s GLN 52 CO -0.00 -0.82 0.83 -1.25 -0.50 0.00 0.00 175.29 173.55 2jic s PRO 53 N 2.14 2.67 0.55 1.67 0.04 -1.26 -5.04 135.00 135.77 2jic s PRO 53 Ca 0.05 -0.44 -0.06 0.00 0.04 0.00 0.00 61.00 60.59 2jic s PRO 53 Cb -0.16 -2.39 0.12 0.00 0.04 0.00 0.00 34.50 32.11 2jic s PRO 53 CO -0.21 -0.72 0.75 0.41 0.04 0.00 0.00 177.00 177.27 2jic n GLY 54 N -2.45 -0.45 3.37 0.56 0.00 0.07 -4.86 105.19 101.43 2jic n GLY 54 Ca 0.06 -1.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.06 2jic n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jic s THR 55 N -2.41 0.75 -2.06 2.61 -4.23 -1.26 -4.78 115.64 104.26 2jic s THR 55 Ca 0.45 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.13 2jic s THR 55 Cb -0.02 -2.67 0.45 0.00 1.34 0.00 0.00 72.50 71.60 2jic s THR 55 CO 0.31 0.00 1.39 0.29 -0.54 0.00 0.00 174.62 176.07 2jic n LYS 56 N -0.56 2.17 -0.20 3.99 5.02 -1.26 -4.07 118.16 123.24 2jic n LYS 56 Ca -0.01 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 2jic n LYS 56 Cb 0.66 -1.41 0.01 0.00 -0.02 0.00 0.00 35.03 34.27 2jic n LYS 56 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jic n ASN 57 N 0.97 0.21 -4.76 4.39 3.02 -1.26 -3.87 115.26 113.96 2jic n ASN 57 Ca 0.17 -1.53 -0.41 0.00 -0.03 0.00 0.00 54.58 52.78 2jic n ASN 57 Cb 0.43 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 2jic n ASN 57 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2jic s LYS 58 N -0.17 4.41 -0.34 3.52 2.20 -1.26 -4.72 119.74 123.38 2jic s LYS 58 Ca 0.01 2.11 -0.09 0.00 -0.36 0.00 0.00 55.97 57.64 2jic s LYS 58 Cb 0.01 -3.12 0.02 0.00 -1.51 0.00 0.00 37.83 33.23 2jic s LYS 58 CO 0.00 -0.14 0.15 0.08 -0.36 0.00 0.00 175.35 175.08 2jic s VAL 59 N -0.81 4.35 -0.22 4.02 1.01 -1.26 -1.87 120.40 125.62 2jic s VAL 59 Ca 0.50 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 2jic s VAL 59 Cb -0.38 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2jic s VAL 59 CO 0.47 -0.08 0.14 -0.63 0.00 0.00 0.00 175.10 175.00 2jic s ILE 60 N 1.54 5.27 -0.09 2.22 1.01 -0.11 -4.92 121.20 126.12 2jic s ILE 60 Ca 0.02 0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 2jic s ILE 60 Cb -0.18 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2jic s ILE 60 CO 0.05 0.38 0.05 0.20 0.00 0.00 0.00 174.94 175.63 2jic s ASN 61 N 0.81 5.64 -0.01 3.58 0.01 -0.19 -0.29 114.94 124.50 2jic s ASN 61 Ca 0.07 0.25 -0.15 0.00 -0.71 0.00 0.00 52.86 52.33 2jic s ASN 61 Cb -0.13 -1.68 0.02 0.00 0.41 0.00 0.00 41.25 39.88 2jic s ASN 61 CO 0.02 0.38 0.31 0.72 -1.51 0.00 0.00 177.10 177.02 2jic s PHE 62 N -0.95 -0.17 -0.08 2.20 -0.12 -0.46 -1.43 117.98 116.98 2jic s PHE 62 Ca 0.14 0.22 -0.28 0.00 -0.05 0.00 0.00 56.93 56.97 2jic s PHE 62 Cb -0.12 0.09 0.06 0.00 -0.63 0.00 0.00 43.02 42.43 2jic s PHE 62 CO 0.04 -0.40 0.64 -1.54 -0.05 0.00 0.00 175.22 173.90 2jic s SER 63 N -1.42 -0.62 0.00 1.98 1.04 -0.95 -0.45 113.70 113.28 2jic s SER 63 Ca -0.13 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2jic s SER 63 Cb -0.05 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2jic s SER 63 CO 0.03 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2jic n GLY 64 N 1.26 -0.80 3.40 7.32 0.00 -1.05 -0.94 105.19 114.37 2jic n GLY 64 Ca -0.18 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 2jic n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jic s SER 65 N -4.00 3.89 -0.17 1.61 1.04 -0.14 -4.71 113.70 111.22 2jic s SER 65 Ca 0.00 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.10 2jic s SER 65 Cb 0.00 -1.23 0.06 0.00 0.10 0.00 0.00 66.02 64.95 2jic s SER 65 CO 0.00 0.24 0.04 -0.47 0.98 0.00 0.00 173.24 174.04 2jic s TYR 66 N -0.13 0.79 -0.59 5.02 5.04 -1.26 -1.20 117.35 125.02 2jic s TYR 66 Ca -0.02 -0.65 0.04 0.00 -2.44 0.00 0.00 57.07 54.01 2jic s TYR 66 Cb -0.14 -0.92 0.17 0.00 0.35 0.00 0.00 41.96 41.42 2jic s TYR 66 CO 0.04 -0.55 0.42 1.21 -1.34 0.00 0.00 175.55 175.32 2jic s ASN 67 N 1.94 3.70 0.30 4.32 2.47 0.29 -5.02 114.94 122.93 2jic s ASN 67 Ca 0.00 -3.50 -0.22 0.00 0.42 0.00 0.00 52.86 49.56 2jic s ASN 67 Cb -0.16 -1.23 -0.09 0.00 -1.45 0.00 0.00 41.25 38.31 2jic s ASN 67 CO -0.08 -0.13 0.85 -2.16 -3.72 0.00 0.00 177.10 171.87 2jic s PRO 68 N -0.83 4.38 -0.58 0.43 0.04 -1.26 -1.84 135.00 135.34 2jic s PRO 68 Ca 0.26 1.10 0.06 0.00 0.04 0.00 0.00 61.00 62.46 2jic s PRO 68 Cb -0.04 -2.73 0.23 0.00 0.04 0.00 0.00 34.50 32.00 2jic s PRO 68 CO -0.16 0.27 0.63 0.09 0.04 0.00 0.00 177.00 177.87 2jic n ASN 69 N 0.40 2.53 0.00 6.66 5.03 0.11 -4.95 115.26 125.04 2jic n ASN 69 Ca 0.01 -3.16 0.00 0.00 0.87 0.00 0.00 54.58 52.30 2jic n ASN 69 Cb 0.51 -0.67 0.00 0.00 -1.02 0.00 0.00 39.78 38.60 2jic n ASN 69 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jic n GLY 70 N 1.28 0.62 3.64 7.41 0.00 -1.26 -2.55 105.19 114.33 2jic n GLY 70 Ca 0.26 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 2jic n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jic n ASN 71 N 0.39 3.76 -3.52 1.61 4.13 -1.23 -4.03 115.26 116.37 2jic n ASN 71 Ca 0.00 0.70 -0.13 0.00 1.68 0.00 0.00 54.58 56.83 2jic n ASN 71 Cb 0.00 -1.51 -0.04 0.00 -1.54 0.00 0.00 39.78 36.69 2jic n ASN 71 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2jic s SER 72 N 5.59 -0.49 0.11 6.41 0.15 -1.07 -1.31 113.70 123.10 2jic s SER 72 Ca 0.94 0.37 0.03 0.00 0.70 0.00 0.00 55.95 57.98 2jic s SER 72 Cb -0.46 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 2jic s SER 72 CO 0.42 -0.57 -0.09 -0.31 1.20 0.00 0.00 173.24 173.89 2jic s TYR 73 N -1.90 1.06 -0.22 3.44 2.02 0.28 -1.13 117.35 120.90 2jic s TYR 73 Ca -0.03 -0.76 -0.03 0.00 -0.37 0.00 0.00 57.07 55.88 2jic s TYR 73 Cb -0.00 -0.57 0.07 0.00 -0.40 0.00 0.00 41.96 41.05 2jic s TYR 73 CO 0.00 -0.02 0.06 -1.17 -1.57 0.00 0.00 175.55 172.85 2jic s LEU 74 N -2.84 1.24 0.10 -1.29 2.96 -0.33 -0.85 118.68 117.68 2jic s LEU 74 Ca 0.11 -0.98 -0.19 0.00 -0.22 0.00 0.00 54.13 52.84 2jic s LEU 74 Cb 0.01 -0.59 0.04 0.00 0.50 0.00 0.00 46.19 46.15 2jic s LEU 74 CO -0.01 -0.34 0.46 -0.55 -1.32 0.00 0.00 176.35 174.59 2jic s SER 75 N 1.86 -0.34 0.06 3.68 0.15 -0.61 -1.15 113.70 117.34 2jic s SER 75 Ca 0.02 -0.11 -0.31 0.00 0.70 0.00 0.00 55.95 56.25 2jic s SER 75 Cb -0.17 0.49 -0.06 0.00 -1.71 0.00 0.00 66.02 64.57 2jic s SER 75 CO -0.13 -0.81 1.24 -0.69 1.20 0.00 0.00 173.24 174.04 2jic s VAL 76 N -3.29 3.90 -0.01 4.45 1.01 -0.33 -0.87 120.40 125.26 2jic s VAL 76 Ca -0.00 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.35 2jic s VAL 76 Cb 0.00 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 2jic s VAL 76 CO -0.08 0.09 -0.07 -0.47 0.00 0.00 0.00 175.10 174.57 2jic s TYR 77 N 1.22 0.65 0.13 5.22 5.04 0.13 -1.09 117.35 128.65 2jic s TYR 77 Ca 0.60 -0.13 -0.13 0.00 -2.44 0.00 0.00 57.07 54.97 2jic s TYR 77 Cb -0.31 -0.45 0.04 0.00 0.35 0.00 0.00 41.96 41.59 2jic s TYR 77 CO 0.29 -0.04 0.61 0.41 -1.34 0.00 0.00 175.55 175.47 2jic n GLY 78 N 3.12 0.93 3.12 8.97 0.00 -0.92 -0.49 105.19 119.94 2jic n GLY 78 Ca -0.16 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 2jic n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jic s TRP 79 N -3.79 0.70 0.14 1.61 0.52 -0.92 -0.95 118.94 116.26 2jic s TRP 79 Ca 0.13 -1.09 0.01 0.00 0.02 0.00 0.00 56.10 55.17 2jic s TRP 79 Cb -0.02 -0.45 -0.04 0.00 -1.15 0.00 0.00 33.47 31.81 2jic s TRP 79 CO 0.04 -0.38 -0.01 -1.54 0.02 0.00 0.00 176.95 175.08 2jic s SER 80 N -2.99 1.02 0.06 2.95 1.04 -0.43 -0.56 113.70 114.79 2jic s SER 80 Ca 0.13 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 55.50 2jic s SER 80 Cb 0.07 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 2jic s SER 80 CO -0.05 -0.57 -0.19 -0.13 0.98 0.00 0.00 173.24 173.27 2jic s ARG 81 N -3.92 1.20 -0.80 4.02 0.52 0.24 -1.99 118.95 118.22 2jic s ARG 81 Ca 0.20 -0.98 -0.00 0.00 -0.52 0.00 0.00 55.73 54.43 2jic s ARG 81 Cb 0.06 -1.34 0.00 0.00 0.52 0.00 0.00 34.95 34.19 2jic s ARG 81 CO 0.01 0.33 0.64 0.09 0.02 0.00 0.00 175.30 176.39 2jic n ASN 82 N 1.59 -5.91 -4.83 0.23 5.03 -1.26 -1.11 115.26 109.00 2jic n ASN 82 Ca -0.18 -0.65 -0.32 0.00 0.87 0.00 0.00 54.58 54.29 2jic n ASN 82 Cb 0.54 -3.00 -0.03 0.00 -1.02 0.00 0.00 39.78 36.27 2jic n ASN 82 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2jic s PRO 83 N -4.28 3.88 -0.40 3.52 0.04 -1.26 -4.24 135.00 132.26 2jic s PRO 83 Ca 0.01 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 2jic s PRO 83 Cb -0.00 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.44 2jic s PRO 83 CO 0.84 -0.33 1.11 -1.17 0.04 0.00 0.00 177.00 177.49 2jic s LEU 84 N -4.04 3.78 -0.01 -3.56 2.96 -1.26 -3.92 118.68 112.63 2jic s LEU 84 Ca 0.60 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 55.28 2jic s LEU 84 Cb -0.11 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.04 2jic s LEU 84 CO 0.30 -1.07 -0.05 -0.63 -1.32 0.00 0.00 176.35 173.58 2jic s ILE 85 N 4.07 0.42 -0.19 6.68 -1.09 -0.84 -3.95 121.20 126.30 2jic s ILE 85 Ca 0.47 -0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 58.66 2jic s ILE 85 Cb -0.10 -0.38 -0.01 0.00 -1.58 0.00 0.00 42.46 40.39 2jic s ILE 85 CO 0.24 0.14 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.32 2jic s GLU 86 N 0.07 3.44 0.18 2.79 2.12 -1.02 -1.32 118.70 124.96 2jic s GLU 86 Ca -0.00 -0.62 0.08 0.00 0.36 0.00 0.00 54.97 54.79 2jic s GLU 86 Cb -0.04 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2jic s GLU 86 CO -0.00 -0.03 -0.16 1.52 -0.54 0.00 0.00 175.26 176.04 2jic s TYR 87 N 1.04 1.74 -0.01 5.30 -0.85 -0.12 -1.58 117.35 122.86 2jic s TYR 87 Ca 0.00 -0.51 -0.01 0.00 -0.52 0.00 0.00 57.07 56.03 2jic s TYR 87 Cb -0.15 -0.85 0.01 0.00 0.38 0.00 0.00 41.96 41.36 2jic s TYR 87 CO -0.00 0.33 0.03 0.71 -1.52 0.00 0.00 175.55 175.10 2jic s TYR 88 N -2.41 -0.03 -0.46 -3.49 2.02 -0.22 -2.16 117.35 110.61 2jic s TYR 88 Ca 0.18 0.10 0.03 0.00 -0.37 0.00 0.00 57.07 57.01 2jic s TYR 88 Cb -0.04 -0.03 0.12 0.00 -0.40 0.00 0.00 41.96 41.62 2jic s TYR 88 CO 0.06 -0.03 0.21 0.42 -1.57 0.00 0.00 175.55 174.64 2jic s ILE 89 N 0.20 2.15 -0.26 2.71 1.01 -0.25 -1.16 121.20 125.59 2jic s ILE 89 Ca -0.02 -2.86 -0.29 0.00 0.00 0.00 0.00 60.65 57.49 2jic s ILE 89 Cb -0.02 -2.52 0.01 0.00 0.01 0.00 0.00 42.46 39.94 2jic s ILE 89 CO -0.01 -0.78 1.10 -0.69 0.00 0.00 0.00 174.94 174.57 2jic s VAL 90 N 0.18 4.52 -0.13 2.92 1.01 0.64 -1.18 120.40 128.36 2jic s VAL 90 Ca 0.16 1.79 0.19 0.00 0.00 0.00 0.00 61.98 64.11 2jic s VAL 90 Cb -0.24 -4.30 -0.21 0.00 0.00 0.00 0.00 36.38 31.63 2jic s VAL 90 CO -0.03 -0.32 0.56 -0.62 0.00 0.00 0.00 175.10 174.69 2jic n GLU 91 N 6.66 0.65 -3.48 2.72 -0.58 -0.30 -0.96 120.64 125.35 2jic n GLU 91 Ca 0.12 0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.78 2jic n GLU 91 Cb 0.46 -1.67 -0.04 0.00 -0.57 0.00 0.00 31.44 29.63 2jic n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2jic s ASN 92 N -5.37 -0.57 0.20 1.62 3.84 -1.03 -1.62 114.94 112.02 2jic s ASN 92 Ca -0.06 0.29 -0.23 0.00 0.21 0.00 0.00 52.86 53.07 2jic s ASN 92 Cb 0.09 0.53 0.05 0.00 -0.55 0.00 0.00 41.25 41.38 2jic s ASN 92 CO 0.84 -0.76 0.69 0.72 -2.79 0.00 0.00 177.10 175.80 2jic s PHE 93 N -2.58 -0.35 -0.04 0.43 -0.12 -1.26 -1.18 117.98 112.88 2jic s PHE 93 Ca -0.03 0.03 0.02 0.00 -0.05 0.00 0.00 56.93 56.90 2jic s PHE 93 Cb -0.01 0.63 0.01 0.00 -0.63 0.00 0.00 43.02 43.02 2jic s PHE 93 CO -0.03 -1.01 -0.08 0.20 -0.05 0.00 0.00 175.22 174.25 2jic s GLY 94 N -2.82 0.54 0.00 1.99 0.00 -0.28 -4.93 107.32 101.82 2jic s GLY 94 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.52 2jic s GLY 94 CO -0.03 0.08 0.00 2.41 0.00 0.00 0.00 173.10 175.56 2jic n THR 95 N 3.56 0.00 -4.08 0.90 -1.04 -1.26 -2.59 114.28 109.77 2jic n THR 95 Ca -0.21 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.47 2jic n THR 95 Cb 0.53 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.89 2jic n THR 95 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2jic s TYR 96 N 0.00 2.83 -0.26 -1.42 5.04 -1.26 -4.96 117.35 117.31 2jic s TYR 96 Ca 0.00 -1.44 -0.29 0.00 -2.44 0.00 0.00 57.07 52.90 2jic s TYR 96 Cb 0.00 -1.97 -0.01 0.00 0.35 0.00 0.00 41.96 40.33 2jic s TYR 96 CO 0.00 -0.73 1.40 1.21 -1.34 0.00 0.00 175.55 176.09 2jic s ASN 97 N 1.33 6.61 0.37 4.32 3.84 -1.26 -4.75 114.94 125.39 2jic s ASN 97 Ca 0.05 1.40 0.22 0.00 0.21 0.00 0.00 52.86 54.74 2jic s ASN 97 Cb -0.13 -2.54 1.20 0.00 -0.55 0.00 0.00 41.25 39.23 2jic s ASN 97 CO -0.10 -1.10 1.65 1.55 -2.79 0.00 0.00 177.10 176.31 2jic h PRO 98 N 9.62 0.00 -0.31 0.43 0.13 -1.97 -1.13 132.00 138.77 2jic h PRO 98 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2jic h PRO 98 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2jic h PRO 98 CO 1.02 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.66 2jic n SER 99 N -2.31 2.31 -4.67 1.44 3.41 -1.26 -4.93 113.62 107.62 2jic n SER 99 Ca -0.01 -1.86 -0.48 0.00 -0.26 0.00 0.00 58.87 56.25 2jic n SER 99 Cb 0.13 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 2jic n SER 99 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2jic n THR 100 N 0.75 0.21 -0.60 6.66 -1.04 -0.43 -0.51 114.28 119.31 2jic n THR 100 Ca 0.17 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 2jic n THR 100 Cb 0.41 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 2jic n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jic n GLY 101 N 3.67 1.70 3.82 3.41 0.00 -1.26 -5.02 105.19 111.51 2jic n GLY 101 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2jic n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jic s ALA 102 N -3.57 2.26 -0.34 4.61 0.00 0.33 -5.03 121.76 120.03 2jic s ALA 102 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.44 2jic s ALA 102 Cb 0.00 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 2jic s ALA 102 CO 0.00 -1.79 0.37 0.99 0.00 0.00 0.00 175.76 175.33 2jic s THR 103 N -3.27 5.16 0.10 0.00 2.01 -1.13 -4.96 115.64 113.55 2jic s THR 103 Ca 0.61 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.42 2jic s THR 103 Cb -0.14 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 2jic s THR 103 CO 0.53 -0.08 1.11 -0.75 -0.69 0.00 0.00 174.62 174.74 2jic s LYS 104 N 2.05 4.54 -0.00 4.92 2.20 -1.26 -2.00 119.74 130.18 2jic s LYS 104 Ca 0.12 1.67 0.03 0.00 -0.36 0.00 0.00 55.97 57.44 2jic s LYS 104 Cb -0.16 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 2jic s LYS 104 CO 0.12 -0.06 0.10 1.28 -0.36 0.00 0.00 175.35 176.43 2jic n LEU 105 N 3.19 0.06 0.00 5.43 4.77 0.08 -4.98 117.00 125.56 2jic n LEU 105 Ca 0.05 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2jic n LEU 105 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2jic n LEU 105 CO 0.54 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2jic n GLY 106 N 1.79 -0.72 3.16 -0.72 0.00 -1.22 -5.00 105.19 102.49 2jic n GLY 106 Ca -0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 2jic n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jic s GLU 107 N -1.05 0.75 -0.09 1.61 2.02 -1.26 -0.98 118.70 119.70 2jic s GLU 107 Ca 0.00 -1.05 -0.11 0.00 0.02 0.00 0.00 54.97 53.84 2jic s GLU 107 Cb 0.00 0.29 0.03 0.00 0.10 0.00 0.00 34.13 34.55 2jic s GLU 107 CO 0.00 -0.21 0.29 0.54 0.02 0.00 0.00 175.26 175.90 2jic s VAL 108 N -3.85 0.01 -0.29 2.63 0.11 -0.55 -4.94 120.40 113.52 2jic s VAL 108 Ca 0.05 -0.09 -0.08 0.00 -2.93 0.00 0.00 61.98 58.94 2jic s VAL 108 Cb 0.06 -0.44 -0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2jic s VAL 108 CO -0.10 -0.05 0.09 -0.89 -3.33 0.00 0.00 175.10 170.82 2jic s THR 109 N -0.10 4.18 -0.06 5.04 2.01 -1.26 0.06 115.64 125.52 2jic s THR 109 Ca -0.02 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.39 2jic s THR 109 Cb -0.03 -3.11 0.02 0.00 0.01 0.00 0.00 72.50 69.39 2jic s THR 109 CO 0.01 0.14 0.20 -0.55 -0.69 0.00 0.00 174.62 173.72 2jic s SER 110 N 1.55 -0.16 -1.54 3.53 0.15 -0.21 -4.93 113.70 112.09 2jic s SER 110 Ca 0.04 0.27 -0.07 0.00 0.70 0.00 0.00 55.95 56.89 2jic s SER 110 Cb -0.17 0.37 0.06 0.00 -1.71 0.00 0.00 66.02 64.58 2jic s SER 110 CO 0.03 -0.16 0.49 0.47 1.20 0.00 0.00 173.24 175.28 2jic n ASP 111 N 2.56 -1.18 0.00 5.45 8.00 -1.26 -2.06 116.55 128.06 2jic n ASP 111 Ca -0.15 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.29 2jic n ASP 111 Cb 0.58 -2.71 0.00 0.00 -0.02 0.00 0.00 41.12 38.97 2jic n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jic n GLY 112 N -1.85 0.81 3.25 0.44 0.00 -1.26 -4.98 105.19 101.60 2jic n GLY 112 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 2jic n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jic s SER 113 N -2.87 -0.09 0.25 1.61 0.15 -0.87 -5.02 113.70 106.86 2jic s SER 113 Ca 0.00 -0.32 -0.22 0.00 0.70 0.00 0.00 55.95 56.10 2jic s SER 113 Cb 0.00 0.38 -0.09 0.00 -1.71 0.00 0.00 66.02 64.60 2jic s SER 113 CO 0.00 -0.69 0.80 -0.69 1.20 0.00 0.00 173.24 173.86 2jic s VAL 114 N -3.10 4.43 -0.01 4.45 1.01 -1.26 -1.04 120.40 124.87 2jic s VAL 114 Ca -0.01 1.51 0.06 0.00 0.00 0.00 0.00 61.98 63.54 2jic s VAL 114 Cb 0.01 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2jic s VAL 114 CO -0.07 0.23 -0.19 -0.31 0.00 0.00 0.00 175.10 174.76 2jic s TYR 115 N -1.50 1.72 -0.08 5.22 2.02 0.11 -1.67 117.35 123.16 2jic s TYR 115 Ca 0.44 -0.33 -0.14 0.00 -0.37 0.00 0.00 57.07 56.68 2jic s TYR 115 Cb -0.18 -1.10 -0.05 0.00 -0.40 0.00 0.00 41.96 40.23 2jic s TYR 115 CO 0.23 -0.02 0.35 -0.51 -1.57 0.00 0.00 175.55 174.02 2jic s ASP 116 N -0.48 6.62 -0.14 2.29 1.01 -0.66 -1.48 116.67 123.82 2jic s ASP 116 Ca 0.07 0.73 -0.06 0.00 0.71 0.00 0.00 52.55 54.01 2jic s ASP 116 Cb -0.07 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 2jic s ASP 116 CO -0.01 0.21 0.06 -0.63 0.21 0.00 0.00 175.17 175.02 2jic s ILE 117 N -0.30 4.83 0.05 0.77 1.01 -0.15 -1.07 121.20 126.34 2jic s ILE 117 Ca 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 2jic s ILE 117 Cb -0.15 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 2jic s ILE 117 CO 0.09 0.54 0.02 -0.31 0.00 0.00 0.00 174.94 175.28 2jic s TYR 118 N -0.28 0.40 -0.02 3.97 2.02 -0.39 -0.74 117.35 122.31 2jic s TYR 118 Ca 0.08 -0.89 0.03 0.00 -0.37 0.00 0.00 57.07 55.93 2jic s TYR 118 Cb -0.12 -0.29 -0.00 0.00 -0.40 0.00 0.00 41.96 41.15 2jic s TYR 118 CO 0.02 -0.40 -0.11 0.50 -1.57 0.00 0.00 175.55 173.99 2jic s ARG 119 N -3.62 1.08 0.16 -0.62 3.52 -0.85 -0.78 118.95 117.85 2jic s ARG 119 Ca 0.04 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.27 2jic s ARG 119 Cb 0.05 -1.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.39 2jic s ARG 119 CO -0.09 0.18 0.00 0.95 -0.81 0.00 0.00 175.30 175.53 2jic s THR 120 N 0.03 0.60 -0.10 4.11 -4.23 -0.61 -2.85 115.64 112.59 2jic s THR 120 Ca -0.01 -1.96 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 2jic s THR 120 Cb -0.08 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.72 2jic s THR 120 CO 0.00 -0.53 -0.21 -1.58 -0.54 0.00 0.00 174.62 171.77 2jic s GLN 121 N -3.92 2.71 -0.24 3.99 0.74 -1.26 -0.59 119.66 121.08 2jic s GLN 121 Ca 0.22 -0.76 -0.12 0.00 0.05 0.00 0.00 55.36 54.76 2jic s GLN 121 Cb 0.06 -2.09 -0.05 0.00 1.10 0.00 0.00 33.01 32.03 2jic s GLN 121 CO 0.02 0.12 0.22 1.03 -0.55 0.00 0.00 175.29 176.13 2jic s ARG 122 N 0.47 4.06 -0.24 1.67 1.81 0.61 -4.98 118.95 122.35 2jic s ARG 122 Ca -0.17 -0.19 -0.07 0.00 -1.72 0.00 0.00 55.73 53.58 2jic s ARG 122 Cb -0.17 -3.57 -0.03 0.00 -0.45 0.00 0.00 34.95 30.73 2jic s ARG 122 CO 0.07 -0.03 0.06 0.08 -0.68 0.00 0.00 175.30 174.80 2jic s VAL 123 N 1.31 4.27 -1.29 3.52 1.01 -1.26 -1.03 120.40 126.94 2jic s VAL 123 Ca 0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 2jic s VAL 123 Cb -0.14 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 2jic s VAL 123 CO 0.07 0.36 0.64 -3.20 0.00 0.00 0.00 175.10 172.97 2jic n ASN 124 N 4.78 -2.11 -4.53 3.32 2.85 -0.94 -4.92 115.26 113.71 2jic n ASN 124 Ca -0.16 -0.92 -0.25 0.00 -0.11 0.00 0.00 54.58 53.14 2jic n ASN 124 Cb 0.51 -3.65 -0.10 0.00 1.24 0.00 0.00 39.78 37.79 2jic n ASN 124 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2jic s GLN 125 N -6.08 1.83 0.52 1.20 -1.52 0.65 -4.70 119.66 111.57 2jic s GLN 125 Ca 0.13 -1.80 -0.23 0.00 -1.95 0.00 0.00 55.36 51.51 2jic s GLN 125 Cb -0.04 -1.80 -0.06 0.00 -0.22 0.00 0.00 33.01 30.89 2jic s GLN 125 CO 0.84 0.23 1.38 -2.14 -0.25 0.00 0.00 175.29 175.36 2jic s PRO 126 N -3.59 3.27 0.35 2.91 0.02 -1.26 -0.89 135.00 135.81 2jic s PRO 126 Ca 0.32 2.30 -0.10 0.00 0.02 0.00 0.00 61.00 63.53 2jic s PRO 126 Cb -0.02 -2.36 0.03 0.00 0.02 0.00 0.00 34.50 32.17 2jic s PRO 126 CO 0.17 -1.11 0.63 -1.54 -0.33 0.00 0.00 177.00 174.82 2jic s SER 127 N -0.82 0.35 0.17 2.53 1.04 -1.10 -4.84 113.70 111.01 2jic s SER 127 Ca 0.69 -1.23 0.17 0.00 0.48 0.00 0.00 55.95 56.06 2jic s SER 127 Cb -0.42 0.74 0.76 0.00 0.10 0.00 0.00 66.02 67.21 2jic s SER 127 CO 0.50 -1.45 1.51 2.30 0.98 0.00 0.00 173.24 177.08 2jic n ILE 128 N -0.52 1.15 -1.04 -1.02 -5.35 -1.26 -1.83 119.36 109.48 2jic n ILE 128 Ca -0.04 0.42 0.10 0.00 -0.27 0.00 0.00 62.75 62.96 2jic n ILE 128 Cb 0.61 -1.34 0.14 0.00 -1.74 0.00 0.00 39.64 37.31 2jic n ILE 128 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2jic n ILE 129 N -1.94 1.90 -0.51 7.28 -5.35 -1.26 -5.11 119.36 114.37 2jic n ILE 129 Ca 0.01 -2.22 0.00 0.00 -0.27 0.00 0.00 62.75 60.27 2jic n ILE 129 Cb 0.12 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 2jic n ILE 129 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jic n GLY 130 N -1.36 -2.55 3.65 3.28 0.00 -0.76 -4.93 105.19 102.52 2jic n GLY 130 Ca 0.16 -1.96 -0.49 0.00 0.00 0.00 0.00 46.02 43.73 2jic n GLY 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jic n THR 131 N -0.07 0.06 -3.72 2.61 -1.04 -1.26 -2.72 114.28 108.15 2jic n THR 131 Ca 0.00 -0.01 -0.06 0.00 -2.04 0.00 0.00 64.05 61.94 2jic n THR 131 Cb 0.00 -1.32 -0.02 0.00 -1.82 0.00 0.00 70.33 67.17 2jic n THR 131 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jic s ALA 132 N 1.16 -1.55 -0.15 2.41 0.00 -0.07 -4.88 121.76 118.68 2jic s ALA 132 Ca 0.83 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.93 2jic s ALA 132 Cb -0.79 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 2jic s ALA 132 CO 0.43 -0.97 -0.07 0.99 0.00 0.00 0.00 175.76 176.14 2jic s THR 133 N -3.48 3.53 0.20 0.00 2.01 -1.26 -0.25 115.64 116.39 2jic s THR 133 Ca 0.10 -0.48 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 2jic s THR 133 Cb -0.03 -2.53 0.05 0.00 0.01 0.00 0.00 72.50 70.00 2jic s THR 133 CO 0.00 0.50 0.62 0.72 -0.69 0.00 0.00 174.62 175.77 2jic s PHE 134 N 0.44 -0.37 0.28 4.92 -0.12 -0.20 -4.95 117.98 117.98 2jic s PHE 134 Ca -0.06 0.07 -0.07 0.00 -0.05 0.00 0.00 56.93 56.82 2jic s PHE 134 Cb -0.15 0.57 -0.06 0.00 -0.63 0.00 0.00 43.02 42.75 2jic s PHE 134 CO 0.04 -0.96 0.57 0.71 -0.05 0.00 0.00 175.22 175.53 2jic s TYR 135 N -3.82 3.46 -0.05 3.49 2.02 -1.25 -0.28 117.35 120.91 2jic s TYR 135 Ca 0.05 0.77 0.06 0.00 -0.37 0.00 0.00 57.07 57.59 2jic s TYR 135 Cb -0.02 -2.20 -0.01 0.00 -0.40 0.00 0.00 41.96 39.33 2jic s TYR 135 CO -0.06 0.18 -0.25 -0.65 -1.57 0.00 0.00 175.55 173.21 2jic s GLN 136 N -3.28 2.46 -0.08 -0.62 -0.21 0.24 -2.42 119.66 115.74 2jic s GLN 136 Ca 0.46 -0.89 -0.00 0.00 0.02 0.00 0.00 55.36 54.95 2jic s GLN 136 Cb -0.11 -2.11 -0.03 0.00 1.00 0.00 0.00 33.01 31.76 2jic s GLN 136 CO 0.27 0.39 -0.06 0.71 -2.12 0.00 0.00 175.29 174.47 2jic s TYR 137 N -0.19 2.96 -0.01 0.91 2.02 -0.62 -1.57 117.35 120.85 2jic s TYR 137 Ca -0.02 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.68 2jic s TYR 137 Cb -0.13 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.66 2jic s TYR 137 CO 0.03 0.27 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.57 2jic s TRP 138 N -0.60 1.19 -0.19 2.71 0.52 0.04 -1.05 118.94 121.56 2jic s TRP 138 Ca 0.09 -0.23 -0.00 0.00 0.02 0.00 0.00 56.10 55.98 2jic s TRP 138 Cb -0.12 -0.77 0.05 0.00 -1.15 0.00 0.00 33.47 31.48 2jic s TRP 138 CO 0.02 -0.03 -0.05 -1.12 0.02 0.00 0.00 176.95 175.79 2jic s SER 139 N -0.29 3.13 -0.26 2.95 0.01 -0.31 -1.26 113.70 117.68 2jic s SER 139 Ca 0.05 -0.82 -0.04 0.00 1.31 0.00 0.00 55.95 56.44 2jic s SER 139 Cb -0.05 -0.98 0.01 0.00 0.21 0.00 0.00 66.02 65.20 2jic s SER 139 CO -0.00 -0.20 -0.00 -0.69 0.41 0.00 0.00 173.24 172.75 2jic s VAL 140 N 1.57 3.44 0.15 3.43 1.01 -0.23 -0.26 120.40 129.51 2jic s VAL 140 Ca -0.01 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 60.92 2jic s VAL 140 Cb -0.16 -2.70 -0.09 0.00 0.00 0.00 0.00 36.38 33.43 2jic s VAL 140 CO -0.07 0.22 1.45 -0.60 0.00 0.00 0.00 175.10 176.10 2jic s ARG 141 N 1.44 4.28 0.11 2.72 3.52 -0.13 -1.66 118.95 129.23 2jic s ARG 141 Ca 0.03 2.20 -0.09 0.00 -0.13 0.00 0.00 55.73 57.73 2jic s ARG 141 Cb -0.16 -3.20 -0.14 0.00 -1.56 0.00 0.00 34.95 29.89 2jic s ARG 141 CO -0.01 -0.48 1.28 0.00 -0.81 0.00 0.00 175.30 175.27 2jic h ARG 142 N 6.49 0.59 -4.16 5.12 3.08 -1.65 -3.40 114.38 120.45 2jic h ARG 142 Ca -0.43 -0.59 -0.75 0.00 0.07 0.00 0.00 59.98 58.28 2jic h ARG 142 Cb 1.21 0.16 -0.24 0.00 0.08 0.00 0.00 29.97 31.18 2jic h ARG 142 CO 0.86 1.20 -0.05 -0.80 -1.07 0.00 0.00 179.97 180.12 2jic s ASN 143 N -7.16 6.35 0.54 7.04 0.01 -1.26 -5.05 114.94 115.41 2jic s ASN 143 Ca -0.08 -1.96 -0.22 0.00 -0.71 0.00 0.00 52.86 49.89 2jic s ASN 143 Cb 0.08 -2.23 -0.05 0.00 0.41 0.00 0.00 41.25 39.46 2jic s ASN 143 CO 0.89 -0.84 1.33 1.41 -1.51 0.00 0.00 177.10 178.38 2jic n HIS 144 N 5.16 2.22 -3.44 2.20 8.25 -1.26 -4.98 115.22 123.37 2jic n HIS 144 Ca -0.05 0.44 -0.12 0.00 -0.26 0.00 0.00 57.72 57.73 2jic n HIS 144 Cb 0.42 -2.36 -0.02 0.00 1.12 0.00 0.00 29.99 29.16 2jic n HIS 144 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2jic s ARG 145 N -2.81 1.18 -0.06 -0.41 1.70 -0.64 -5.01 118.95 112.90 2jic s ARG 145 Ca 0.71 -0.40 0.08 0.00 -0.47 0.00 0.00 55.73 55.65 2jic s ARG 145 Cb -0.43 0.54 0.13 0.00 -0.57 0.00 0.00 34.95 34.63 2jic s ARG 145 CO 0.50 -0.51 1.07 -1.13 -1.08 0.00 0.00 175.30 174.15 2jic n SER 146 N -0.29 2.16 -3.64 -2.89 3.41 -1.26 -4.02 113.62 107.09 2jic n SER 146 Ca -0.16 -2.48 -0.15 0.00 -0.26 0.00 0.00 58.87 55.83 2jic n SER 146 Cb 0.64 -0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 2jic n SER 146 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jic s SER 147 N -1.83 -0.58 0.00 4.04 0.01 -1.26 -2.54 113.70 111.54 2jic s SER 147 Ca 0.14 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.34 2jic s SER 147 Cb 0.12 0.93 0.00 0.00 0.21 0.00 0.00 66.02 67.28 2jic s SER 147 CO 0.01 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2jic n GLY 148 N 2.08 0.02 3.13 3.44 0.00 0.40 -4.97 105.19 109.29 2jic n GLY 148 Ca -0.16 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.18 2jic n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jic s SER 149 N -4.00 1.82 -0.20 1.61 0.15 -1.26 -1.35 113.70 110.47 2jic s SER 149 Ca 0.00 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.38 2jic s SER 149 Cb 0.00 -0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.14 2jic s SER 149 CO 0.00 0.19 -0.15 -0.69 1.20 0.00 0.00 173.24 173.79 2jic s VAL 150 N -0.37 1.91 -0.73 4.45 1.01 0.60 -4.83 120.40 122.45 2jic s VAL 150 Ca 0.06 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 60.77 2jic s VAL 150 Cb -0.06 -1.86 0.09 0.00 0.00 0.00 0.00 36.38 34.55 2jic s VAL 150 CO -0.01 0.33 0.98 0.21 0.00 0.00 0.00 175.10 176.61 2jic s ASN 151 N 1.30 6.30 0.50 3.32 3.84 -1.26 -0.94 114.94 128.00 2jic s ASN 151 Ca 0.01 -1.33 0.19 0.00 0.21 0.00 0.00 52.86 51.93 2jic s ASN 151 Cb -0.15 -2.40 1.24 0.00 -0.55 0.00 0.00 41.25 39.39 2jic s ASN 151 CO -0.10 -1.30 2.04 0.71 -2.79 0.00 0.00 177.10 175.66 2jic h THR 152 N 5.94 0.88 -0.49 -5.21 1.35 -1.69 -1.88 112.91 111.80 2jic h THR 152 Ca -0.16 -0.04 0.02 0.00 -0.55 0.00 0.00 66.41 65.68 2jic h THR 152 Cb 1.06 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.19 2jic h THR 152 CO 1.15 0.02 0.33 0.00 -0.25 0.00 0.00 175.52 176.78 2jic h ALA 153 N 1.81 1.74 -0.63 6.62 0.00 -1.77 -0.60 119.26 126.44 2jic h ALA 153 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2jic h ALA 153 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2jic h ALA 153 CO -0.02 0.21 0.31 -0.91 0.00 0.00 0.00 179.25 178.84 2jic h ASN 154 N 0.59 0.79 0.05 0.00 2.35 -1.68 0.02 115.58 117.70 2jic h ASN 154 Ca 0.19 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 2jic h ASN 154 Cb 0.06 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.24 2jic h ASN 154 CO -0.05 0.66 -0.47 0.45 -1.65 0.00 0.00 177.43 176.38 2jic h HIS 155 N 0.88 0.37 -0.90 1.19 3.86 -1.39 -2.55 115.15 116.62 2jic h HIS 155 Ca 0.22 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2jic h HIS 155 Cb 0.07 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 2jic h HIS 155 CO 0.01 1.12 0.53 0.74 0.86 0.00 0.00 177.93 181.19 2jic h PHE 156 N -0.49 1.19 -0.35 2.45 0.04 -1.02 0.59 116.94 119.33 2jic h PHE 156 Ca -0.07 -0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.55 2jic h PHE 156 Cb 1.29 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 2jic h PHE 156 CO 0.20 0.79 -0.35 -0.91 -0.60 0.00 0.00 178.31 177.44 2jic h ASN 157 N 1.24 0.86 -0.56 2.17 2.35 -1.09 -1.33 115.58 119.21 2jic h ASN 157 Ca 0.32 -0.37 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 2jic h ASN 157 Cb -0.04 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 2jic h ASN 157 CO -0.06 1.12 0.03 0.00 -1.65 0.00 0.00 177.43 176.88 2jic h ALA 158 N 0.92 0.94 -0.45 -0.83 0.00 -0.97 -1.41 119.26 117.47 2jic h ALA 158 Ca 0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2jic h ALA 158 Cb 0.91 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2jic h ALA 158 CO 0.08 0.64 0.11 -1.49 0.00 0.00 0.00 179.25 178.59 2jic h TRP 159 N 0.93 0.75 -0.87 0.00 6.55 -0.76 -2.78 115.95 119.77 2jic h TRP 159 Ca 0.17 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.93 2jic h TRP 159 Cb 0.49 -0.21 -0.04 0.00 -0.86 0.00 0.00 29.16 28.54 2jic h TRP 159 CO 0.03 0.69 0.54 0.00 -1.05 0.00 0.00 178.44 178.66 2jic h ALA 160 N 0.97 1.32 0.00 1.49 0.00 -0.93 0.11 119.26 122.22 2jic h ALA 160 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jic h ALA 160 Cb 0.32 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jic h ALA 160 CO 0.00 0.60 -0.08 0.37 0.00 0.00 0.00 179.25 180.14 2jic h GLN 161 N 1.19 0.00 -0.52 0.00 5.75 -1.00 -0.39 115.11 120.13 2jic h GLN 161 Ca 0.31 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 2jic h GLN 161 Cb -0.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.47 2jic h GLN 161 CO -0.06 0.08 0.00 1.04 -2.65 0.00 0.00 178.83 177.23 2jic n GLN 162 N -3.75 2.29 -0.72 1.69 1.13 -0.32 -4.92 117.38 112.77 2jic n GLN 162 Ca -0.02 -2.00 0.00 0.00 -1.94 0.00 0.00 57.00 53.04 2jic n GLN 162 Cb 0.18 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.08 2jic n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jic n GLY 163 N 1.39 0.62 3.31 1.08 0.00 -0.16 -5.02 105.19 106.43 2jic n GLY 163 Ca 0.19 -0.14 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 2jic n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jic s LEU 164 N 0.00 6.30 0.18 0.99 1.43 0.23 -4.97 118.68 122.84 2jic s LEU 164 Ca 0.00 -1.97 -0.06 0.00 -1.03 0.00 0.00 54.13 51.07 2jic s LEU 164 Cb 0.00 -2.21 -0.06 0.00 0.03 0.00 0.00 46.19 43.95 2jic s LEU 164 CO 0.00 -0.80 0.44 0.28 0.23 0.00 0.00 176.35 176.50 2jic s THR 165 N 1.32 5.08 0.07 5.49 -1.32 -1.26 -2.77 115.64 122.24 2jic s THR 165 Ca 0.06 0.18 0.06 0.00 -1.21 0.00 0.00 61.69 60.78 2jic s THR 165 Cb -0.26 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.07 2jic s THR 165 CO 0.01 -0.01 -0.10 -0.76 -2.21 0.00 0.00 174.62 171.55 2jic s LEU 166 N -2.75 3.04 0.00 9.08 1.43 -1.26 -4.88 118.68 123.34 2jic s LEU 166 Ca 0.43 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 2jic s LEU 166 Cb -0.12 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.29 2jic s LEU 166 CO 0.24 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.63 2jic n GLY 167 N 0.98 1.47 3.71 -3.19 0.00 -1.25 -4.77 105.19 102.14 2jic n GLY 167 Ca -0.14 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 2jic n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jic s THR 168 N 2.16 4.89 0.37 2.61 2.01 -0.27 -4.71 115.64 122.70 2jic s THR 168 Ca 0.00 1.95 -0.28 0.00 0.31 0.00 0.00 61.69 63.67 2jic s THR 168 Cb 0.00 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 2jic s THR 168 CO 0.00 0.16 1.37 -0.04 -0.69 0.00 0.00 174.62 175.42 2jic s MET 169 N 1.06 4.17 0.00 4.92 1.00 -1.26 -0.59 119.30 128.59 2jic s MET 169 Ca 0.49 2.33 0.00 0.00 0.00 0.00 0.00 55.69 58.51 2jic s MET 169 Cb -0.20 -2.96 0.00 0.00 0.00 0.00 0.00 34.83 31.67 2jic s MET 169 CO 0.25 -0.39 0.00 -3.47 0.00 0.00 0.00 175.02 171.42 2jic n ASP 170 N 0.51 0.00 -4.77 3.03 2.03 0.28 -4.62 116.55 113.01 2jic n ASP 170 Ca 0.01 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.02 2jic n ASP 170 Cb 0.41 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.91 2jic n ASP 170 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2jic s TYR 171 N 4.50 2.61 -0.20 -0.67 -0.85 -1.26 -0.75 117.35 120.72 2jic s TYR 171 Ca 0.00 1.45 -0.04 0.00 -0.52 0.00 0.00 57.07 57.96 2jic s TYR 171 Cb 0.00 -3.05 0.10 0.00 0.38 0.00 0.00 41.96 39.39 2jic s TYR 171 CO 0.00 -1.85 0.32 -1.14 -1.52 0.00 0.00 175.55 171.36 2jic s GLN 172 N -4.94 0.26 0.23 -3.49 0.74 -0.25 -2.16 119.66 110.05 2jic s GLN 172 Ca 0.61 0.54 0.00 0.00 0.05 0.00 0.00 55.36 56.57 2jic s GLN 172 Cb -0.17 -0.51 -0.05 0.00 1.10 0.00 0.00 33.01 33.39 2jic s GLN 172 CO 0.56 -0.53 0.11 0.96 -0.55 0.00 0.00 175.29 175.84 2jic s ILE 173 N 2.47 0.32 -0.28 -2.34 -4.36 0.36 -0.30 121.20 117.07 2jic s ILE 173 Ca 0.07 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.37 2jic s ILE 173 Cb -0.14 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 40.97 2jic s ILE 173 CO -0.13 -0.01 0.15 -0.69 0.24 0.00 0.00 174.94 174.49 2jic s VAL 174 N -3.93 4.86 0.14 8.37 1.01 -0.28 0.18 120.40 130.76 2jic s VAL 174 Ca 0.38 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.37 2jic s VAL 174 Cb 0.07 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2jic s VAL 174 CO 0.13 0.23 -0.19 0.00 0.00 0.00 0.00 175.10 175.27 2jic s ALA 175 N 1.69 1.90 -0.17 5.51 0.00 -0.05 -2.77 121.76 127.87 2jic s ALA 175 Ca 0.06 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.60 2jic s ALA 175 Cb -0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2jic s ALA 175 CO 0.08 0.28 -0.04 0.08 0.00 0.00 0.00 175.76 176.16 2jic s VAL 176 N -1.71 3.76 0.03 0.00 1.01 -0.13 -1.57 120.40 121.79 2jic s VAL 176 Ca 0.12 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.79 2jic s VAL 176 Cb -0.07 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2jic s VAL 176 CO 0.05 0.47 -0.26 -0.70 0.00 0.00 0.00 175.10 174.67 2jic s GLU 177 N 0.67 1.89 0.04 2.72 2.12 -0.03 -1.73 118.70 124.38 2jic s GLU 177 Ca -0.02 -1.06 0.03 0.00 0.36 0.00 0.00 54.97 54.27 2jic s GLU 177 Cb -0.14 -2.01 -0.02 0.00 0.26 0.00 0.00 34.13 32.21 2jic s GLU 177 CO 0.02 0.52 -0.09 0.20 -0.54 0.00 0.00 175.26 175.38 2jic s GLY 178 N -1.13 0.55 -0.29 -1.50 0.00 -0.53 -0.55 107.32 103.87 2jic s GLY 178 Ca 0.12 -0.74 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 2jic s GLY 178 CO 0.02 -0.78 0.16 -0.47 0.00 0.00 0.00 173.10 172.03 2jic s TYR 179 N -1.18 0.16 -1.05 1.90 5.04 -0.42 -1.54 117.35 120.26 2jic s TYR 179 Ca -0.07 -0.74 -0.18 0.00 -2.44 0.00 0.00 57.07 53.65 2jic s TYR 179 Cb -0.09 -0.81 0.00 0.00 0.35 0.00 0.00 41.96 41.41 2jic s TYR 179 CO 0.01 -0.85 0.73 1.19 -1.34 0.00 0.00 175.55 175.29 2jic n PHE 180 N 5.26 -1.96 -3.15 4.97 3.72 -0.29 -4.27 117.46 121.74 2jic n PHE 180 Ca -0.05 0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.87 2jic n PHE 180 Cb 0.43 -3.27 0.00 0.00 -0.94 0.00 0.00 39.48 35.69 2jic n PHE 180 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2jic n SER 181 N -2.48 0.00 -4.24 4.37 3.41 -1.25 -4.66 113.62 108.77 2jic n SER 181 Ca -0.13 -0.85 -0.14 0.00 -0.26 0.00 0.00 58.87 57.50 2jic n SER 181 Cb 0.59 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 2jic n SER 181 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jic s SER 182 N -0.60 1.33 0.00 4.04 0.01 -1.06 -1.38 113.70 116.05 2jic s SER 182 Ca 0.00 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.11 2jic s SER 182 Cb 0.00 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2jic s SER 182 CO 0.00 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.73 2jic n GLY 183 N -0.24 -0.76 3.19 3.44 0.00 0.02 0.04 105.19 110.89 2jic n GLY 183 Ca -0.07 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 2jic n GLY 183 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jic s SER 184 N 0.00 -0.12 -0.09 1.61 0.01 -0.77 -0.90 113.70 113.44 2jic s SER 184 Ca 0.00 -0.00 -0.30 0.00 1.31 0.00 0.00 55.95 56.96 2jic s SER 184 Cb 0.00 0.28 0.08 0.00 0.21 0.00 0.00 66.02 66.59 2jic s SER 184 CO 0.00 -0.41 0.72 0.00 0.41 0.00 0.00 173.24 173.96 2jic s ALA 185 N -1.31 -1.79 -0.06 1.44 0.00 0.00 -0.55 121.76 119.49 2jic s ALA 185 Ca -0.14 1.44 -0.03 0.00 0.00 0.00 0.00 51.96 53.24 2jic s ALA 185 Cb -0.06 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.86 2jic s ALA 185 CO 0.03 -0.36 0.10 0.45 0.00 0.00 0.00 175.76 175.98 2jic s SER 186 N -0.96 1.04 -0.01 0.00 0.15 -0.34 -0.73 113.70 112.85 2jic s SER 186 Ca -0.09 0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.75 2jic s SER 186 Cb -0.01 0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2jic s SER 186 CO 0.08 -0.25 -0.11 -0.63 1.20 0.00 0.00 173.24 173.52 2jic s ILE 187 N 2.22 0.90 -0.16 6.45 -1.09 -0.16 -0.97 121.20 128.39 2jic s ILE 187 Ca 0.04 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 57.99 2jic s ILE 187 Cb -0.12 -0.75 0.01 0.00 -1.58 0.00 0.00 42.46 40.02 2jic s ILE 187 CO -0.04 0.26 -0.19 -0.89 -1.23 0.00 0.00 174.94 172.84 2jic s THR 188 N -0.25 2.26 0.09 2.92 2.01 -0.11 -1.12 115.64 121.43 2jic s THR 188 Ca 0.04 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.17 2jic s THR 188 Cb -0.05 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2jic s THR 188 CO -0.00 0.53 0.10 -0.69 -0.69 0.00 0.00 174.62 173.87 2jic s VAL 189 N 1.04 4.65 0.00 3.82 1.01 0.04 -2.24 120.40 128.72 2jic s VAL 189 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2jic s VAL 189 Cb -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2jic s VAL 189 CO -0.06 0.10 0.00 -1.54 0.00 0.00 0.00 175.10 173.60