#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr5 s SER 2 N 0.00 7.30 -0.46 1.61 0.15 -1.26 -5.01 113.70 116.03 2cr5 s SER 2 Ca 0.00 1.99 0.03 0.00 0.70 0.00 0.00 55.95 58.67 2cr5 s SER 2 Cb 0.00 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.86 2cr5 s SER 2 CO 0.00 -0.22 0.29 -0.55 1.20 0.00 0.00 173.24 173.96 2cr5 s SER 3 N 0.13 3.20 -0.23 5.45 0.15 -1.26 -4.95 113.70 116.19 2cr5 s SER 3 Ca 0.50 -2.83 -0.07 0.00 0.70 0.00 0.00 55.95 54.25 2cr5 s SER 3 Cb -0.28 -0.88 0.01 0.00 -1.71 0.00 0.00 66.02 63.16 2cr5 s SER 3 CO 0.33 -0.23 0.25 0.61 1.20 0.00 0.00 173.24 175.40 2cr5 n GLY 4 N 3.24 -1.74 2.63 9.45 0.00 -1.26 -5.03 105.19 112.47 2cr5 n GLY 4 Ca 0.16 0.55 -0.29 0.00 0.00 0.00 0.00 46.02 46.44 2cr5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 s SER 5 N -1.67 3.17 -0.15 1.61 0.01 -1.26 -5.10 113.70 110.31 2cr5 s SER 5 Ca 0.11 -2.90 -0.03 0.00 1.31 0.00 0.00 55.95 54.43 2cr5 s SER 5 Cb -0.03 -0.90 -0.02 0.00 0.21 0.00 0.00 66.02 65.28 2cr5 s SER 5 CO 0.44 -0.21 -0.06 -0.44 0.41 0.00 0.00 173.24 173.38 2cr5 s SER 6 N 0.05 4.59 0.00 2.44 0.01 -1.26 -5.00 113.70 114.53 2cr5 s SER 6 Ca 0.23 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2cr5 s SER 6 Cb -0.13 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.36 2cr5 s SER 6 CO -0.08 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2cr5 n GLY 7 N 3.58 -1.74 2.85 3.44 0.00 -1.26 -5.03 105.19 107.03 2cr5 n GLY 7 Ca -0.18 -1.36 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 2cr5 n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cr5 s GLU 8 N -4.43 0.95 -0.23 1.61 2.56 -1.26 -5.13 118.70 112.78 2cr5 s GLU 8 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.97 54.81 2cr5 s GLU 8 Cb 0.00 -1.11 -0.04 0.00 2.00 0.00 0.00 34.13 34.98 2cr5 s GLU 8 CO 0.00 -0.22 0.12 0.54 -0.56 0.00 0.00 175.26 175.14 2cr5 s VAL 9 N 1.55 5.01 0.35 3.70 0.11 -1.26 -5.08 120.40 124.77 2cr5 s VAL 9 Ca -0.00 0.05 -0.27 0.00 -2.93 0.00 0.00 61.98 58.83 2cr5 s VAL 9 Cb -0.13 -3.32 -0.09 0.00 -1.53 0.00 0.00 36.38 31.31 2cr5 s VAL 9 CO -0.04 0.37 1.21 -2.16 -3.33 0.00 0.00 175.10 171.15 2cr5 s PRO 10 N 0.98 4.28 0.44 1.54 0.04 -1.26 -5.05 135.00 135.97 2cr5 s PRO 10 Ca 0.06 1.98 0.07 0.00 0.04 0.00 0.00 61.00 63.14 2cr5 s PRO 10 Cb -0.14 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 2cr5 s PRO 10 CO 0.03 -0.17 0.26 -0.51 0.04 0.00 0.00 177.00 176.65 2cr5 s ASP 11 N -0.83 4.59 0.08 6.66 1.01 -1.26 -5.05 116.67 121.86 2cr5 s ASP 11 Ca 0.52 -1.06 0.04 0.00 0.71 0.00 0.00 52.55 52.75 2cr5 s ASP 11 Cb -0.34 -0.29 -0.04 0.00 1.01 0.00 0.00 42.92 43.26 2cr5 s ASP 11 CO 0.45 -0.69 0.01 -0.76 0.21 0.00 0.00 175.17 174.39 2cr5 s LEU 12 N -4.02 3.52 0.46 1.23 1.43 -1.26 -5.06 118.68 114.98 2cr5 s LEU 12 Ca 0.40 -0.13 -0.23 0.00 -1.03 0.00 0.00 54.13 53.14 2cr5 s LEU 12 Cb 0.01 -2.22 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 2cr5 s LEU 12 CO 0.23 0.19 1.16 -2.16 0.23 0.00 0.00 176.35 176.00 2cr5 s PRO 13 N -2.22 3.73 -0.45 1.29 0.04 -1.26 -4.88 135.00 131.26 2cr5 s PRO 13 Ca 0.25 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 2cr5 s PRO 13 Cb -0.12 -2.38 -0.10 0.00 0.04 0.00 0.00 34.50 31.94 2cr5 s PRO 13 CO 0.18 -0.57 2.32 0.39 0.04 0.00 0.00 177.00 179.36 2cr5 n GLU 14 N -0.54 1.08 -1.41 4.56 1.02 -1.26 -4.84 120.64 119.25 2cr5 n GLU 14 Ca 0.08 0.21 -0.44 0.00 -0.02 0.00 0.00 57.16 56.99 2cr5 n GLU 14 Cb 0.48 -2.74 -0.01 0.00 -0.02 0.00 0.00 31.44 29.15 2cr5 n GLU 14 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2cr5 n GLU 15 N 8.55 0.30 -2.26 3.49 4.71 -1.26 -4.88 120.64 129.30 2cr5 n GLU 15 Ca 0.41 0.11 -0.38 0.00 -0.01 0.00 0.00 57.16 57.29 2cr5 n GLU 15 Cb 0.33 -1.23 -0.02 0.00 -1.01 0.00 0.00 31.44 29.51 2cr5 n GLU 15 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2cr5 s PRO 16 N -1.21 4.05 1.06 3.49 0.04 -1.26 -5.02 135.00 136.15 2cr5 s PRO 16 Ca 0.62 1.89 -0.12 0.00 0.04 0.00 0.00 61.00 63.43 2cr5 s PRO 16 Cb -0.74 -2.70 0.22 0.00 0.04 0.00 0.00 34.50 31.32 2cr5 s PRO 16 CO 0.59 -0.33 1.07 -1.12 0.04 0.00 0.00 177.00 177.24 2cr5 s SER 17 N -1.06 1.94 0.00 6.66 0.01 -1.26 -4.80 113.70 115.19 2cr5 s SER 17 Ca 0.57 1.46 0.28 0.00 1.31 0.00 0.00 55.95 59.57 2cr5 s SER 17 Cb -0.32 -2.17 1.39 0.00 0.21 0.00 0.00 66.02 65.14 2cr5 s SER 17 CO 0.40 -3.59 1.95 -1.84 0.41 0.00 0.00 173.24 170.57 2cr5 n GLU 18 N -4.51 0.37 -0.00 12.44 0.28 -1.26 -2.86 120.64 125.11 2cr5 n GLU 18 Ca 0.05 0.02 0.08 0.00 -0.16 0.00 0.00 57.16 57.15 2cr5 n GLU 18 Cb 0.55 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.82 2cr5 n GLU 18 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2cr5 n THR 19 N -1.30 0.00 -2.00 3.84 -2.24 -1.26 -4.97 114.28 106.34 2cr5 n THR 19 Ca 0.13 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 2cr5 n THR 19 Cb 0.23 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 2cr5 n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cr5 s ALA 20 N -2.72 3.70 1.17 6.98 0.00 -1.13 -5.01 121.76 124.74 2cr5 s ALA 20 Ca 0.03 1.31 -0.18 0.00 0.00 0.00 0.00 51.96 53.12 2cr5 s ALA 20 Cb 0.12 -3.59 0.26 0.00 0.00 0.00 0.00 23.12 19.91 2cr5 s ALA 20 CO 0.68 -0.73 1.03 0.39 0.00 0.00 0.00 175.76 177.14 2cr5 n GLU 21 N 3.49 -2.48 -3.89 0.00 4.71 -1.26 -4.04 120.64 117.16 2cr5 n GLU 21 Ca 0.11 -1.64 -0.24 0.00 -0.01 0.00 0.00 57.16 55.38 2cr5 n GLU 21 Cb 0.40 -1.41 -0.08 0.00 -1.01 0.00 0.00 31.44 29.35 2cr5 n GLU 21 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2cr5 n GLU 22 N -4.25 -0.95 -4.40 3.49 2.13 -1.26 -4.90 120.64 110.50 2cr5 n GLU 22 Ca 0.14 0.07 -0.26 0.00 0.66 0.00 0.00 57.16 57.77 2cr5 n GLU 22 Cb 0.52 -2.78 -0.17 0.00 0.27 0.00 0.00 31.44 29.29 2cr5 n GLU 22 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2cr5 s VAL 23 N -4.01 1.16 0.40 6.31 1.01 -1.26 -1.96 120.40 122.05 2cr5 s VAL 23 Ca 0.03 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.62 2cr5 s VAL 23 Cb -0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2cr5 s VAL 23 CO 0.77 0.37 0.35 0.68 0.00 0.00 0.00 175.10 177.27 2cr5 s VAL 24 N 0.96 2.86 -0.30 2.92 -7.23 -0.08 -4.89 120.40 114.64 2cr5 s VAL 24 Ca -0.09 -1.37 -0.00 0.00 -1.81 0.00 0.00 61.98 58.71 2cr5 s VAL 24 Cb -0.15 -3.04 0.06 0.00 0.56 0.00 0.00 36.38 33.81 2cr5 s VAL 24 CO 0.00 -0.05 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.85 2cr5 s THR 25 N -2.44 2.76 -0.25 5.32 2.01 -1.26 -0.06 115.64 121.73 2cr5 s THR 25 Ca 0.46 -1.56 -0.14 0.00 0.31 0.00 0.00 61.69 60.75 2cr5 s THR 25 Cb -0.04 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 2cr5 s THR 25 CO 0.27 -0.17 0.33 -0.69 -0.69 0.00 0.00 174.62 173.68 2cr5 s VAL 26 N 1.18 5.22 -0.38 3.82 1.01 0.43 -3.48 120.40 128.20 2cr5 s VAL 26 Ca -0.04 0.52 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 2cr5 s VAL 26 Cb -0.20 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.57 2cr5 s VAL 26 CO -0.03 0.22 0.19 0.00 0.00 0.00 0.00 175.10 175.49 2cr5 s ALA 27 N 1.66 3.20 -0.20 5.51 0.00 -1.23 -1.92 121.76 128.77 2cr5 s ALA 27 Ca 0.14 -1.94 -0.21 0.00 0.00 0.00 0.00 51.96 49.96 2cr5 s ALA 27 Cb -0.15 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 2cr5 s ALA 27 CO 0.09 -1.49 0.66 -0.51 0.00 0.00 0.00 175.76 174.50 2cr5 s LEU 28 N 1.43 4.13 -0.52 0.00 1.43 0.45 -0.25 118.68 125.36 2cr5 s LEU 28 Ca 0.01 0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 53.84 2cr5 s LEU 28 Cb -0.21 -2.93 0.13 0.00 0.03 0.00 0.00 46.19 43.20 2cr5 s LEU 28 CO 0.03 -0.31 0.45 -0.13 0.23 0.00 0.00 176.35 176.62 2cr5 s ARG 29 N 2.05 2.83 0.73 1.70 0.52 -0.18 0.09 118.95 126.69 2cr5 s ARG 29 Ca 0.30 -1.74 -0.14 0.00 -0.52 0.00 0.00 55.73 53.63 2cr5 s ARG 29 Cb -0.16 -4.18 0.04 0.00 0.52 0.00 0.00 34.95 31.17 2cr5 s ARG 29 CO 0.10 -1.29 1.14 0.00 0.02 0.00 0.00 175.30 175.27 2cr5 n PRO 31 N -2.93 0.49 0.00 0.00 -0.04 -1.15 -2.25 135.00 129.12 2cr5 n PRO 31 Ca 0.11 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.71 2cr5 n PRO 31 Cb 0.52 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 33.00 2cr5 n PRO 31 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2cr5 n ASN 32 N -1.00 0.64 0.00 3.54 5.15 -1.26 -4.90 115.26 117.43 2cr5 n ASN 32 Ca 0.12 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 2cr5 n ASN 32 Cb 0.05 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 2cr5 n ASN 32 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2cr5 n GLY 33 N 1.31 0.38 3.93 8.20 0.00 -0.96 -5.07 105.19 112.98 2cr5 n GLY 33 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 2cr5 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cr5 s ARG 34 N -0.96 2.81 -0.06 1.61 0.52 -1.25 -4.97 118.95 116.65 2cr5 s ARG 34 Ca 0.00 -1.26 -0.03 0.00 -0.52 0.00 0.00 55.73 53.92 2cr5 s ARG 34 Cb 0.00 -2.62 0.03 0.00 0.52 0.00 0.00 34.95 32.89 2cr5 s ARG 34 CO 0.00 -0.07 0.14 0.54 0.02 0.00 0.00 175.30 175.93 2cr5 s VAL 35 N -2.32 -0.04 -0.14 3.52 0.11 -1.26 -0.76 120.40 119.50 2cr5 s VAL 35 Ca 0.47 0.15 -0.04 0.00 -2.93 0.00 0.00 61.98 59.63 2cr5 s VAL 35 Cb -0.07 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2cr5 s VAL 35 CO 0.30 0.06 -0.00 -0.76 -3.33 0.00 0.00 175.10 171.37 2cr5 s LEU 36 N 1.00 3.48 -0.07 2.54 1.43 0.11 -4.92 118.68 122.26 2cr5 s LEU 36 Ca -0.08 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2cr5 s LEU 36 Cb -0.10 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2cr5 s LEU 36 CO -0.05 0.22 0.04 -0.13 0.23 0.00 0.00 176.35 176.66 2cr5 s ARG 37 N 0.04 3.04 -0.04 1.70 0.52 -1.26 -0.41 118.95 122.55 2cr5 s ARG 37 Ca 0.02 -0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 54.54 2cr5 s ARG 37 Cb -0.13 -2.85 0.06 0.00 0.52 0.00 0.00 34.95 32.56 2cr5 s ARG 37 CO 0.02 0.70 0.63 0.50 0.02 0.00 0.00 175.30 177.17 2cr5 s ARG 38 N -1.14 1.03 0.23 3.54 3.52 -0.81 -5.01 118.95 120.31 2cr5 s ARG 38 Ca 0.16 0.17 -0.13 0.00 -0.13 0.00 0.00 55.73 55.80 2cr5 s ARG 38 Cb -0.12 0.48 -0.08 0.00 -1.56 0.00 0.00 34.95 33.68 2cr5 s ARG 38 CO 0.06 -0.32 0.61 1.03 -0.81 0.00 0.00 175.30 175.87 2cr5 s ARG 39 N -1.34 3.93 -0.22 5.12 0.52 -1.26 -0.43 118.95 125.28 2cr5 s ARG 39 Ca -0.11 0.48 -0.10 0.00 -0.52 0.00 0.00 55.73 55.48 2cr5 s ARG 39 Cb -0.01 -2.67 0.08 0.00 0.52 0.00 0.00 34.95 32.87 2cr5 s ARG 39 CO 0.08 0.32 0.51 -0.06 0.02 0.00 0.00 175.30 176.16 2cr5 s PHE 40 N -1.76 -0.85 1.01 -0.53 0.08 0.91 -4.44 117.98 112.41 2cr5 s PHE 40 Ca 0.47 1.67 -0.14 0.00 0.12 0.00 0.00 56.93 59.05 2cr5 s PHE 40 Cb -0.12 0.43 0.09 0.00 -0.57 0.00 0.00 43.02 42.85 2cr5 s PHE 40 CO 0.20 -0.46 0.45 1.19 -0.10 0.00 0.00 175.22 176.50 2cr5 n PHE 41 N 4.72 -1.13 1.20 0.36 3.72 -1.26 -0.90 117.46 124.17 2cr5 n PHE 41 Ca -0.17 0.20 0.13 0.00 -0.05 0.00 0.00 57.45 57.55 2cr5 n PHE 41 Cb 0.54 -1.75 0.36 0.00 -0.94 0.00 0.00 39.48 37.69 2cr5 n PHE 41 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2cr5 n LYS 42 N -2.42 1.92 -0.04 -1.08 5.02 -0.83 -3.92 118.16 116.81 2cr5 n LYS 42 Ca 0.05 -1.35 -0.02 0.00 -2.02 0.00 0.00 58.31 54.97 2cr5 n LYS 42 Cb 0.56 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.97 2cr5 n LYS 42 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2cr5 n SER 43 N 0.61 0.27 -4.68 4.39 2.88 -1.26 -3.84 113.62 111.99 2cr5 n SER 43 Ca 0.17 0.12 -0.32 0.00 -1.33 0.00 0.00 58.87 57.51 2cr5 n SER 43 Cb 0.43 0.98 0.15 0.00 -0.75 0.00 0.00 64.21 65.03 2cr5 n SER 43 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2cr5 s TRP 44 N -2.86 1.67 -0.11 0.66 0.51 -1.25 -4.69 118.94 112.85 2cr5 s TRP 44 Ca -0.07 1.76 -0.10 0.00 -2.12 0.00 0.00 56.10 55.56 2cr5 s TRP 44 Cb 0.09 -3.39 -0.05 0.00 -0.81 0.00 0.00 33.47 29.31 2cr5 s TRP 44 CO 0.84 -2.84 0.23 1.21 -0.51 0.00 0.00 176.95 175.89 2cr5 s ASN 45 N -2.50 6.47 0.52 2.95 3.84 -1.26 -1.22 114.94 123.73 2cr5 s ASN 45 Ca 0.69 0.55 0.35 0.00 0.21 0.00 0.00 52.86 54.66 2cr5 s ASN 45 Cb -0.25 -2.13 1.20 0.00 -0.55 0.00 0.00 41.25 39.52 2cr5 s ASN 45 CO 0.56 0.30 1.28 -1.54 -2.79 0.00 0.00 177.10 174.91 2cr5 n SER 46 N 2.46 0.00 -0.15 -4.21 3.41 -1.26 0.47 113.62 114.33 2cr5 n SER 46 Ca -0.17 0.79 -0.03 0.00 -0.26 0.00 0.00 58.87 59.20 2cr5 n SER 46 Cb 0.53 -0.34 0.04 0.00 -0.26 0.00 0.00 64.21 64.18 2cr5 n SER 46 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2cr5 h GLN 47 N 0.00 0.04 -1.33 4.33 1.08 -1.91 0.76 115.11 118.07 2cr5 h GLN 47 Ca 0.65 -0.00 0.40 0.00 -1.45 0.00 0.00 58.65 58.24 2cr5 h GLN 47 Cb 3.03 -0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 30.37 2cr5 h GLN 47 CO -0.01 0.03 0.91 -0.24 -0.95 0.00 0.00 178.83 178.57 2cr5 h VAL 48 N 0.04 0.27 0.88 -0.54 3.04 -0.38 -0.36 116.25 119.21 2cr5 h VAL 48 Ca 0.24 -0.04 -0.04 0.00 -1.01 0.00 0.00 66.70 65.85 2cr5 h VAL 48 Cb 0.36 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.79 2cr5 h VAL 48 CO -0.46 0.02 -0.50 -0.07 -1.01 0.00 0.00 177.57 175.55 2cr5 h LEU 49 N 0.11 -1.23 -1.44 3.16 3.38 -1.00 -2.35 115.31 115.96 2cr5 h LEU 49 Ca 0.72 0.06 0.48 0.00 0.09 0.00 0.00 57.88 59.23 2cr5 h LEU 49 Cb 2.46 0.34 -0.13 0.00 0.09 0.00 0.00 40.66 43.42 2cr5 h LEU 49 CO -0.20 -0.79 0.94 0.18 0.09 0.00 0.00 178.44 178.66 2cr5 n LEU 50 N -5.65 0.18 -0.09 1.67 4.77 -0.15 0.18 117.00 117.91 2cr5 n LEU 50 Ca -0.16 1.32 -0.12 0.00 -0.03 0.00 0.00 56.01 57.02 2cr5 n LEU 50 Cb 0.52 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 2cr5 n LEU 50 CO 0.37 -1.42 0.64 -0.78 -1.33 0.00 0.00 177.39 174.87 2cr5 h ASP 51 N 0.00 0.63 0.17 -1.43 1.82 -1.43 -1.85 116.42 114.33 2cr5 h ASP 51 Ca 0.88 -0.43 -0.08 0.00 -0.39 0.00 0.00 57.03 57.01 2cr5 h ASP 51 Cb 2.92 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 42.74 2cr5 h ASP 51 CO -0.40 0.92 -0.29 -0.25 -1.61 0.00 0.00 179.24 177.61 2cr5 h TRP 52 N 0.34 0.22 -0.06 0.28 7.01 0.22 -2.20 115.95 121.76 2cr5 h TRP 52 Ca 0.06 -0.04 -0.17 0.00 2.11 0.00 0.00 58.89 60.84 2cr5 h TRP 52 Cb 0.70 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.70 2cr5 h TRP 52 CO 0.07 0.47 -0.71 1.98 -2.79 0.00 0.00 178.44 177.46 2cr5 h MET 53 N 0.18 0.30 0.00 2.65 4.05 -0.98 -2.78 114.93 118.35 2cr5 h MET 53 Ca 0.03 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 2cr5 h MET 53 Cb 0.61 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 2cr5 h MET 53 CO 0.04 0.89 0.00 -1.33 0.23 0.00 0.00 176.91 176.75 2cr5 n MET 54 N -3.81 0.26 0.05 0.39 2.81 -0.71 -1.28 117.12 114.82 2cr5 n MET 54 Ca -0.03 0.26 -0.16 0.00 -1.81 0.00 0.00 57.70 55.96 2cr5 n MET 54 Cb 0.69 -1.83 -0.14 0.00 -0.71 0.00 0.00 33.22 31.23 2cr5 n MET 54 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2cr5 h LYS 55 N 0.00 0.22 0.00 0.03 1.63 -1.23 -3.33 116.57 113.89 2cr5 h LYS 55 Ca 0.00 -0.38 -0.09 0.00 -0.85 0.00 0.00 60.65 59.33 2cr5 h LYS 55 Cb 0.67 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 2cr5 h LYS 55 CO 0.00 1.06 -0.44 -0.39 -3.45 0.00 0.00 179.45 176.23 2cr5 h VAL 56 N 0.06 1.24 0.00 2.00 -1.51 -1.49 -3.46 116.25 113.09 2cr5 h VAL 56 Ca -0.27 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 63.64 2cr5 h VAL 56 Cb 2.02 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 33.04 2cr5 h VAL 56 CO 0.14 0.44 0.00 0.61 -1.23 0.00 0.00 177.57 177.53 2cr5 n GLY 57 N -0.14 1.25 2.76 5.19 0.00 -1.20 -5.14 105.19 107.92 2cr5 n GLY 57 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2cr5 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cr5 s TYR 58 N -1.25 -0.05 0.73 1.61 2.02 -0.41 -5.03 117.35 114.97 2cr5 s TYR 58 Ca 0.00 0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.99 2cr5 s TYR 58 Cb 0.00 -0.34 0.03 0.00 -0.40 0.00 0.00 41.96 41.25 2cr5 s TYR 58 CO 0.00 -0.21 1.08 -1.58 -1.57 0.00 0.00 175.55 173.27 2cr5 s HIS 59 N 2.03 3.14 -0.02 2.71 2.46 -1.26 -2.05 115.29 122.30 2cr5 s HIS 59 Ca 0.02 1.18 -0.18 0.00 0.47 0.00 0.00 55.06 56.55 2cr5 s HIS 59 Cb -0.12 -3.01 -0.33 0.00 -0.13 0.00 0.00 32.58 28.99 2cr5 s HIS 59 CO -0.04 -1.34 0.88 1.57 -2.47 0.00 0.00 174.74 173.33 2cr5 h LYS 60 N -0.78 0.41 0.00 2.88 2.10 -1.87 -2.31 116.57 117.00 2cr5 h LYS 60 Ca -0.45 -0.70 0.00 0.00 -2.00 0.00 0.00 60.65 57.49 2cr5 h LYS 60 Cb 1.24 0.26 0.00 0.00 -0.90 0.00 0.00 32.23 32.83 2cr5 h LYS 60 CO 0.61 1.34 0.00 0.45 -2.00 0.00 0.00 179.45 179.84 2cr5 n SER 61 N -3.88 0.00 0.00 7.07 2.88 -1.26 -2.61 113.62 115.82 2cr5 n SER 61 Ca -0.17 -1.30 0.00 0.00 -1.33 0.00 0.00 58.87 56.06 2cr5 n SER 61 Cb 0.98 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 2cr5 n SER 61 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2cr5 n LEU 62 N -0.70 0.00 -3.81 2.46 4.77 -1.22 -5.03 117.00 113.46 2cr5 n LEU 62 Ca 0.08 -0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 55.68 2cr5 n LEU 62 Cb 0.04 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 2cr5 n LEU 62 CO 0.06 0.00 -0.10 -0.31 -1.33 0.00 0.00 177.39 175.71 2cr5 s TYR 63 N -1.09 -0.14 0.43 -1.77 2.02 -0.87 -3.75 117.35 112.18 2cr5 s TYR 63 Ca 0.00 0.29 0.07 0.00 -0.37 0.00 0.00 57.07 57.06 2cr5 s TYR 63 Cb 0.00 0.04 -0.03 0.00 -0.40 0.00 0.00 41.96 41.57 2cr5 s TYR 63 CO 0.00 -0.24 0.28 1.03 -1.57 0.00 0.00 175.55 175.05 2cr5 s ARG 64 N -0.72 2.35 -0.16 -0.62 0.52 -1.16 -4.47 118.95 114.69 2cr5 s ARG 64 Ca -0.08 -1.74 0.00 0.00 -0.52 0.00 0.00 55.73 53.39 2cr5 s ARG 64 Cb -0.04 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.28 2cr5 s ARG 64 CO 0.02 -0.20 -0.16 -0.51 0.02 0.00 0.00 175.30 174.47 2cr5 s LEU 65 N -4.03 2.39 0.20 2.53 1.43 -1.26 -3.43 118.68 116.51 2cr5 s LEU 65 Ca 0.43 -0.51 0.10 0.00 -1.03 0.00 0.00 54.13 53.12 2cr5 s LEU 65 Cb 0.00 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2cr5 s LEU 65 CO 0.24 0.06 -0.17 -0.94 0.23 0.00 0.00 176.35 175.78 2cr5 s SER 66 N 0.93 3.81 0.74 2.29 1.04 -0.87 0.19 113.70 121.83 2cr5 s SER 66 Ca -0.03 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.51 2cr5 s SER 66 Cb -0.15 -0.46 0.04 0.00 0.10 0.00 0.00 66.02 65.55 2cr5 s SER 66 CO -0.02 0.10 1.11 0.42 0.98 0.00 0.00 173.24 175.83 2cr5 s THR 67 N -1.83 2.91 0.03 2.02 -4.23 -1.16 -1.20 115.64 112.19 2cr5 s THR 67 Ca 0.24 0.25 -0.14 0.00 -1.18 0.00 0.00 61.69 60.86 2cr5 s THR 67 Cb -0.08 -3.28 -0.07 0.00 1.34 0.00 0.00 72.50 70.41 2cr5 s THR 67 CO 0.13 -0.37 1.22 0.77 -0.54 0.00 0.00 174.62 175.83 2cr5 h SER 68 N -0.77 -0.56 -3.52 3.99 4.64 -1.64 -3.42 113.55 112.28 2cr5 h SER 68 Ca -0.45 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 60.87 2cr5 h SER 68 Cb 1.28 0.18 -0.22 0.00 -0.31 0.00 0.00 62.40 63.34 2cr5 h SER 68 CO 0.64 -0.26 -0.02 0.12 -0.87 0.00 0.00 176.83 176.43 2cr5 s PHE 69 N -4.12 -0.81 0.00 4.77 2.19 -1.26 -4.48 117.98 114.27 2cr5 s PHE 69 Ca -0.07 1.79 0.00 0.00 0.33 0.00 0.00 56.93 58.98 2cr5 s PHE 69 Cb 0.02 0.38 0.00 0.00 -1.31 0.00 0.00 43.02 42.11 2cr5 s PHE 69 CO 0.24 -0.40 0.00 -0.35 1.83 0.00 0.00 175.22 176.53 2cr5 n PRO 70 N 3.52 -0.95 -3.27 10.12 -0.04 -1.26 -5.07 135.00 138.04 2cr5 n PRO 70 Ca -0.17 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.85 2cr5 n PRO 70 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 2cr5 n PRO 70 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2cr5 s ARG 71 N -2.91 3.06 0.03 0.54 3.52 -1.26 -4.49 118.95 117.44 2cr5 s ARG 71 Ca 0.00 -1.08 0.01 0.00 -0.13 0.00 0.00 55.73 54.53 2cr5 s ARG 71 Cb 0.00 -4.10 -0.02 0.00 -1.56 0.00 0.00 34.95 29.27 2cr5 s ARG 71 CO 0.00 -1.10 -0.05 0.50 -0.81 0.00 0.00 175.30 173.84 2cr5 s ARG 72 N 2.15 0.41 -0.40 5.12 3.52 -1.26 -5.00 118.95 123.50 2cr5 s ARG 72 Ca 0.10 -0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 54.74 2cr5 s ARG 72 Cb -0.21 -0.08 0.02 0.00 -1.56 0.00 0.00 34.95 33.12 2cr5 s ARG 72 CO 0.10 -0.00 1.18 0.00 -0.81 0.00 0.00 175.30 175.76 2cr5 s ALA 73 N -1.41 3.27 0.53 6.12 0.00 -1.26 -2.96 121.76 126.05 2cr5 s ALA 73 Ca -0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 51.96 51.49 2cr5 s ALA 73 Cb -0.10 -3.82 -0.05 0.00 0.00 0.00 0.00 23.12 19.15 2cr5 s ALA 73 CO -0.00 -1.98 0.91 -0.51 0.00 0.00 0.00 175.76 174.18 2cr5 s LEU 74 N 4.33 3.51 0.11 0.00 2.01 0.13 -5.00 118.68 123.77 2cr5 s LEU 74 Ca 0.50 1.26 0.09 0.00 0.01 0.00 0.00 54.13 55.99 2cr5 s LEU 74 Cb -0.11 -4.24 -0.04 0.00 0.01 0.00 0.00 46.19 41.82 2cr5 s LEU 74 CO 0.26 -0.66 -0.23 -1.61 1.01 0.00 0.00 176.35 175.12 2cr5 s GLU 75 N -4.63 1.22 -0.38 1.70 2.02 -1.26 -4.51 118.70 112.86 2cr5 s GLU 75 Ca 0.53 -1.21 -0.13 0.00 0.02 0.00 0.00 54.97 54.18 2cr5 s GLU 75 Cb -0.10 -1.56 0.01 0.00 0.10 0.00 0.00 34.13 32.58 2cr5 s GLU 75 CO 0.44 0.37 0.26 0.14 0.02 0.00 0.00 175.26 176.48 2cr5 s VAL 76 N -1.11 5.06 0.05 2.63 -7.23 -1.26 -5.05 120.40 113.49 2cr5 s VAL 76 Ca 0.09 -0.59 -0.08 0.00 -1.81 0.00 0.00 61.98 59.58 2cr5 s VAL 76 Cb -0.10 -3.76 -0.05 0.00 0.56 0.00 0.00 36.38 33.03 2cr5 s VAL 76 CO 0.05 -0.20 0.35 -0.70 -0.31 0.00 0.00 175.10 174.28 2cr5 s GLU 77 N 1.66 3.69 0.03 4.82 2.56 -1.26 -4.92 118.70 125.28 2cr5 s GLU 77 Ca 0.05 0.07 0.25 0.00 0.00 0.00 0.00 54.97 55.34 2cr5 s GLU 77 Cb -0.19 -3.03 0.59 0.00 2.00 0.00 0.00 34.13 33.51 2cr5 s GLU 77 CO 0.09 0.59 1.48 0.41 -0.56 0.00 0.00 175.26 177.28 2cr5 n GLY 78 N 0.98 -1.33 0.09 -1.50 0.00 -1.26 -4.08 105.19 98.09 2cr5 n GLY 78 Ca -0.09 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 2cr5 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cr5 n GLY 79 N 1.46 -0.75 3.85 -0.02 0.00 -1.26 -4.96 105.19 103.50 2cr5 n GLY 79 Ca 0.05 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2cr5 n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cr5 s SER 80 N -5.35 6.72 0.94 1.61 0.01 -1.26 -5.09 113.70 111.27 2cr5 s SER 80 Ca -0.13 0.86 -0.14 0.00 1.31 0.00 0.00 55.95 57.84 2cr5 s SER 80 Cb 0.06 -2.21 0.19 0.00 0.21 0.00 0.00 66.02 64.27 2cr5 s SER 80 CO 0.68 0.33 1.29 -0.94 0.41 0.00 0.00 173.24 175.01 2cr5 s SER 81 N -1.11 3.25 0.35 2.44 1.04 -1.26 -4.32 113.70 114.09 2cr5 s SER 81 Ca 0.22 0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.90 2cr5 s SER 81 Cb -0.16 -0.28 0.69 0.00 0.10 0.00 0.00 66.02 66.38 2cr5 s SER 81 CO 0.12 -2.64 1.96 -0.07 0.98 0.00 0.00 173.24 173.59 2cr5 h LEU 82 N -1.52 0.71 -0.21 2.42 3.38 -1.34 -0.29 115.31 118.44 2cr5 h LEU 82 Ca -0.44 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2cr5 h LEU 82 Cb 1.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2cr5 h LEU 82 CO 0.38 0.47 -0.28 1.05 0.09 0.00 0.00 178.44 180.15 2cr5 h GLU 83 N 0.81 0.00 0.00 1.13 4.11 -1.79 -0.02 114.58 118.82 2cr5 h GLU 83 Ca 0.31 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.67 2cr5 h GLU 83 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2cr5 h GLU 83 CO -0.10 0.28 -0.33 -0.44 0.07 0.00 0.00 179.01 178.49 2cr5 h ASP 84 N 0.00 0.00 0.60 3.06 5.19 -1.40 -3.21 116.42 120.67 2cr5 h ASP 84 Ca -0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.14 2cr5 h ASP 84 Cb 1.13 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.60 2cr5 h ASP 84 CO 0.04 0.33 -1.56 0.16 -3.12 0.00 0.00 179.24 175.09 2cr5 h ILE 85 N 0.00 0.93 0.00 0.35 3.07 -1.30 -3.47 117.51 117.09 2cr5 h ILE 85 Ca -0.00 -2.72 0.00 0.00 1.55 0.00 0.00 64.86 63.69 2cr5 h ILE 85 Cb 1.08 2.44 0.00 0.00 -0.27 0.00 0.00 36.82 40.06 2cr5 h ILE 85 CO 0.04 0.53 0.00 0.61 -1.05 0.00 0.00 178.15 178.28 2cr5 n GLY 86 N 1.50 0.22 0.73 0.16 0.00 -1.09 -5.06 105.19 101.66 2cr5 n GLY 86 Ca -0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.94 2cr5 n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cr5 n ILE 87 N 0.00 1.04 0.13 -0.61 2.08 -0.04 -4.79 119.36 117.17 2cr5 n ILE 87 Ca 0.00 -1.71 0.02 0.00 0.56 0.00 0.00 62.75 61.62 2cr5 n ILE 87 Cb 0.00 0.27 0.11 0.00 -0.75 0.00 0.00 39.64 39.27 2cr5 n ILE 87 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2cr5 n THR 88 N -0.48 1.71 -3.87 1.39 -2.24 -1.26 -4.51 114.28 105.01 2cr5 n THR 88 Ca 0.11 0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 62.25 2cr5 n THR 88 Cb 0.81 -1.40 -0.06 0.00 -2.10 0.00 0.00 70.33 67.58 2cr5 n THR 88 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2cr5 s VAL 89 N -3.04 0.07 -0.38 2.28 -7.23 -1.26 -5.01 120.40 105.83 2cr5 s VAL 89 Ca 0.01 -1.16 -0.31 0.00 -1.81 0.00 0.00 61.98 58.71 2cr5 s VAL 89 Cb 0.03 -1.65 -0.14 0.00 0.56 0.00 0.00 36.38 35.18 2cr5 s VAL 89 CO 0.08 -0.32 1.57 -0.90 -0.31 0.00 0.00 175.10 175.21 2cr5 n ASP 90 N -0.22 0.52 -3.98 4.85 5.75 -1.26 -4.87 116.55 117.35 2cr5 n ASP 90 Ca -0.10 0.47 -0.26 0.00 -0.01 0.00 0.00 54.79 54.89 2cr5 n ASP 90 Cb 0.63 -0.65 -0.17 0.00 -1.03 0.00 0.00 41.12 39.90 2cr5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2cr5 s THR 91 N 4.45 1.14 -0.12 2.12 2.01 -1.23 -5.01 115.64 119.00 2cr5 s THR 91 Ca 0.87 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 62.30 2cr5 s THR 91 Cb -1.07 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 2cr5 s THR 91 CO 0.47 0.37 0.35 -0.69 -0.69 0.00 0.00 174.62 174.43 2cr5 s VAL 92 N 1.11 5.24 0.24 3.82 1.01 -1.26 -3.50 120.40 127.07 2cr5 s VAL 92 Ca -0.06 0.68 0.09 0.00 0.00 0.00 0.00 61.98 62.69 2cr5 s VAL 92 Cb -0.14 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2cr5 s VAL 92 CO -0.02 0.41 0.03 -0.76 0.00 0.00 0.00 175.10 174.77 2cr5 s LEU 93 N 0.20 3.33 -0.05 3.92 1.43 0.65 -1.50 118.68 126.65 2cr5 s LEU 93 Ca 0.20 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2cr5 s LEU 93 Cb -0.14 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2cr5 s LEU 93 CO 0.07 0.02 -0.11 0.20 0.23 0.00 0.00 176.35 176.76 2cr5 s ASN 94 N -3.53 1.53 -0.43 2.29 0.02 -0.34 -1.01 114.94 113.48 2cr5 s ASN 94 Ca 0.31 -0.25 -0.17 0.00 -1.02 0.00 0.00 52.86 51.73 2cr5 s ASN 94 Cb -0.07 -0.64 0.03 0.00 0.02 0.00 0.00 41.25 40.59 2cr5 s ASN 94 CO 0.20 0.03 0.44 -0.69 0.02 0.00 0.00 177.10 177.10 2cr5 s VAL 95 N 0.56 5.09 -0.02 1.60 1.01 0.87 -2.06 120.40 127.46 2cr5 s VAL 95 Ca -0.11 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.50 2cr5 s VAL 95 Cb -0.14 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 2cr5 s VAL 95 CO 0.02 -0.44 -0.12 -1.61 0.00 0.00 0.00 175.10 172.95 2cr5 s GLU 96 N 2.11 1.16 0.35 2.72 0.41 -1.22 -2.93 118.70 121.30 2cr5 s GLU 96 Ca 0.11 -0.42 -0.24 0.00 -0.41 0.00 0.00 54.97 54.02 2cr5 s GLU 96 Cb -0.18 -1.07 -0.14 0.00 -1.78 0.00 0.00 34.13 30.97 2cr5 s GLU 96 CO 0.13 0.19 0.54 -1.91 -0.49 0.00 0.00 175.26 173.72 2cr5 n GLU 97 N 3.09 0.49 -0.87 1.61 0.00 -1.26 -2.96 120.64 120.74 2cr5 n GLU 97 Ca -0.17 0.18 -0.35 0.00 0.00 0.00 0.00 57.16 56.82 2cr5 n GLU 97 Cb 0.54 -1.38 0.09 0.00 0.00 0.00 0.00 31.44 30.70 2cr5 n GLU 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2cr5 n LYS 98 N 0.81 -0.42 -1.94 5.31 4.01 -1.25 -4.79 118.16 119.89 2cr5 n LYS 98 Ca 0.12 -0.11 -0.29 0.00 -0.51 0.00 0.00 58.31 57.53 2cr5 n LYS 98 Cb 0.36 -1.42 0.06 0.00 -0.51 0.00 0.00 35.03 33.52 2cr5 n LYS 98 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2cr5 s GLU 99 N -2.82 2.52 -0.21 1.97 2.12 -1.26 -4.94 118.70 116.09 2cr5 s GLU 99 Ca 0.48 0.28 -0.01 0.00 0.36 0.00 0.00 54.97 56.07 2cr5 s GLU 99 Cb -0.13 -2.02 0.09 0.00 0.26 0.00 0.00 34.13 32.33 2cr5 s GLU 99 CO 0.72 -1.22 2.25 1.04 -0.54 0.00 0.00 175.26 177.51 2cr5 n GLN 100 N -3.08 1.64 -2.82 4.30 3.00 -1.26 -4.92 117.38 114.24 2cr5 n GLN 100 Ca 0.07 -1.12 -0.41 0.00 -0.01 0.00 0.00 57.00 55.53 2cr5 n GLN 100 Cb 0.59 -1.52 -0.04 0.00 0.00 0.00 0.00 30.24 29.27 2cr5 n GLN 100 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2cr5 s SER 101 N 0.92 7.28 -0.17 1.08 1.04 -1.26 -5.04 113.70 117.56 2cr5 s SER 101 Ca 0.28 1.55 -0.01 0.00 0.48 0.00 0.00 55.95 58.25 2cr5 s SER 101 Cb 0.19 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.83 2cr5 s SER 101 CO -0.03 -0.17 -0.04 -0.94 0.98 0.00 0.00 173.24 173.04 2cr5 s SER 102 N 0.71 2.80 -0.33 7.02 1.04 -1.26 -5.10 113.70 118.57 2cr5 s SER 102 Ca 0.47 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 56.17 2cr5 s SER 102 Cb -0.21 -0.85 0.04 0.00 0.10 0.00 0.00 66.02 65.11 2cr5 s SER 102 CO 0.25 -0.20 0.09 -1.58 0.98 0.00 0.00 173.24 172.78 2cr5 s GLN 103 N 1.67 2.57 -0.01 4.02 2.00 -1.26 -5.09 119.66 123.57 2cr5 s GLN 103 Ca 0.00 -1.21 -0.23 0.00 -2.00 0.00 0.00 55.36 51.92 2cr5 s GLN 103 Cb -0.15 -3.41 -0.05 0.00 0.80 0.00 0.00 33.01 30.20 2cr5 s GLN 103 CO -0.07 -0.67 0.70 -1.54 -0.50 0.00 0.00 175.29 173.21 2cr5 s SER 104 N 1.39 7.07 0.00 6.67 1.04 -1.26 -4.95 113.70 123.66 2cr5 s SER 104 Ca -0.02 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.69 2cr5 s SER 104 Cb -0.20 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2cr5 s SER 104 CO 0.02 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2cr5 n GLY 105 N 2.69 3.48 3.77 7.32 0.00 -1.26 -5.10 105.19 116.09 2cr5 n GLY 105 Ca -0.03 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 2cr5 n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr5 s PRO 106 N -2.82 2.60 0.50 1.61 0.04 -1.26 -5.04 135.00 130.64 2cr5 s PRO 106 Ca 0.00 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.26 2cr5 s PRO 106 Cb 0.00 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 2cr5 s PRO 106 CO 0.00 -1.40 0.87 -1.54 0.04 0.00 0.00 177.00 174.97 2cr5 s SER 107 N -2.87 6.35 0.16 6.66 1.04 -1.26 -5.09 113.70 118.70 2cr5 s SER 107 Ca 0.65 1.17 0.11 0.00 0.48 0.00 0.00 55.95 58.36 2cr5 s SER 107 Cb -0.19 -2.35 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 2cr5 s SER 107 CO 0.47 -0.61 -0.23 -0.55 0.98 0.00 0.00 173.24 173.29 2cr5 s SER 108 N -3.79 3.51 0.00 7.02 0.15 -1.26 -5.32 113.70 114.00 2cr5 s SER 108 Ca 0.51 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2cr5 s SER 108 Cb -0.10 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2cr5 s SER 108 CO 0.43 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.62